| 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 | 28.9 | Very low | 59.8 | Low | 227 Ų | 227 | 102 Ų | 102 | 100% | 1.118 | 59% | 0.585 | S | S | * | * | 0 | 108.7 | 0 | -83 | 177.2 | 176.7 | 0 | 0 | 107.7 | V3 | M1-V3 PolarHBondContact O-N 3.22Š| |||
| 2 | A | 30.6 | Very low | 61.9 | Low | 92 Ų | 92 | 93.8 Ų | 93.8 | 76% | 0.76 | 54% | 0.538 | S | S | * | . | trans | -67.9 | 112.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | L4 | A2-L4 PolarHBondContact O-N 3.36Š| ||
| 3 | V | 36.1 | Very low | 63.7 | Low | 133 Ų | 133 | 88.1 Ų | 88.1 | 81% | 0.806 | 50% | 0.504 | S | S | * | . | trans | -69.9 | 90.7 | 171.3 | -179 | 0 | 0 | 0 | 0 | 105.6 | M1 K5 | M1-V3 PolarHBondContact O-N 3.22Å; V3-K5 PolarHBondContact O-N 3.31Å | ||
| 4 | L | 53.6 | Low | 65.2 | Low | 87 Ų | 87 | 86.7 Ų | 86.7 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | trans | -62.6 | 125.5 | 169.2 | -70.3 | 166.3 | 0 | 0 | 0 | 106.5 | A2 L6 | A2-L4 PolarHBondContact O-N 3.36Å; L4-L6 PolarHBondContact O-N 3.38Å | ||
| 5 | K | 61.9 | Low | 66.5 | Low | 155 Ų | 155 | 81 Ų | 81 | 67% | 0.674 | 46% | 0.459 | S | S | * | . | trans | -63 | 138.1 | 175.7 | -69.9 | 175.4 | 178.9 | 175.4 | 0 | 107.5 | V3 A7 D8 | V3-K5 PolarHBondContact O-N 3.31Å; K5-A7 PolarHBondContact O-N 2.97Å; K5-D8 PolarHBondContact O-N 3.45Å | ||
| 6 | L | 66.3 | Low | 67.8 | Low | 85 Ų | 85 | 75.9 Ų | 75.9 | 45% | 0.445 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -53.6 | -31.7 | 179.7 | -170.3 | 70.1 | 0 | 0 | 0 | 111.8 | L4 D8 Q9 Q14 F17 | L4-L6 PolarHBondContact O-N 3.38Å; L6-D8 PolarHBondContact O-N 2.82Å; L6-Q9 WeakPolarHBondContact O-CB 3.21Å; L6-Q9 PolarHBondContact O-N 3.07Å; L6-Q9 VanDerWaalsContact O-N 3.15Å; L6-Q14 HydrophobicContact CG-CG 4.45Å; L6-Q14 WeakPolarHBondContact O-CG 3.41Å; L6-Q14 PolarHBondContact O-NE2 3.44Å; L6-F17 HydrophobicContact CD1-CB 3.93Å; L6-F17 HydrophobicContact CD1-CD2 3.55Å; L6-F17 HydrophobicContact CD1-CE2 4.26Å; L6-F17 HydrophobicContact CD1-CG 3.85Å; L6-F17 HydrophobicContact CD2-CB 4.11Å |
| 7 | A | 67.1 | Low | 68.8 | Low | 76 Ų | 76 | 76.5 Ų | 76.5 | 63% | 0.628 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -61.6 | -23 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K5 Q14 | K5-A7 PolarHBondContact O-N 2.97Å; A7-Q14 PolarHBondContact O-NE2 2.76Å; A7-Q14 VanDerWaalsContact O-NE2 3.09Å |
| 8 | D | 71.3 | Confident | 69.6 | Low | 116 Ų | 116 | 76.4 Ų | 76.4 | 62% | 0.62 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -92 | -0.1 | -179.6 | -56.1 | -36 | 0 | 0 | 0 | 112.2 | K5 L6 | K5-D8 PolarHBondContact O-N 3.45Å; L6-D8 PolarHBondContact O-N 2.82Å |
| 9 | Q | 77.1 | Confident | 70.2 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 14% | 0.14 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -88.4 | 158.6 | 178.8 | -63.2 | -58.3 | -52.3 | 0 | 0 | 111.9 | L6 I13 Q14 | L6-Q9 WeakPolarHBondContact O-CB 3.21Å; L6-Q9 PolarHBondContact O-N 3.07Å; L6-Q9 VanDerWaalsContact O-N 3.15Å; Q9-I13 HydrophobicContact CB-CB 4.11Å; Q9-I13 HydrophobicContact CB-CG2 3.94Å; Q9-I13 HydrophobicContact CG-CG2 4.31Å; Q9-Q14 HydrophobicContact CB-CG 4.4Å; Q9-Q14 PolarHBondContact O-NE2 2.96Å |
| 10 | P | 82.3 | Confident | 70.8 | Confident | 54 Ų | 54 | 73.9 Ų | 73.9 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | trans | -53.1 | 145.1 | 174.5 | -25.7 | 34 | 0 | 0 | 0 | 112.4 | L12 I13 Q14 | P10-L12 VanDerWaalsContact C-N 3.26Å; P10-L12 PolarHBondContact O-N 3.43Å; P10-I13 HydrophobicContact CB-CG1 4.2Å; P10-I13 HydrophobicContact CG-CG1 4.2Å; P10-I13 WeakPolarHBondContact O-CA 3.46Å; P10-I13 WeakPolarHBondContact O-CB 3.12Å; P10-I13 PolarHBondContact O-N 3.31Å; P10-Q14 PolarHBondContact O-N 2.86Å; P10-Q14 VanDerWaalsContact O-N 3.09Å | ||
| 11 | P | 83.3 | Confident | 71.2 | Confident | 67 Ų | 67 | 71.4 Ų | 71.4 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -53 | -41.1 | -178.8 | -25.6 | 33.7 | 0 | 0 | 0 | 113.2 | I13 Q14 A15 L27 E32 | P11-I13 VanDerWaalsContact C-N 3.32Å; P11-I13 PolarHBondContact O-N 3.22Å; P11-Q14 WeakPolarHBondContact O-CB 3.45Å; P11-Q14 PolarHBondContact O-N 3.29Å; P11-Q14 VanDerWaalsContact O-N 3.13Å; P11-A15 PolarHBondContact O-N 2.93Å; P11-L27 HydrophobicContact CB-CD1 4.29Å; P11-L27 HydrophobicContact CB-CD2 4.25Å; P11-E32 WeakPolarHBondContact CB-OE1 3.46Å |
| 12 | L | 84.9 | Confident | 73.8 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.9 | -41.1 | 172.8 | -171.1 | 59.4 | 0 | 0 | 0 | 113.8 | P10 A15 I16 I24 L27 I28 E32 P44 | P10-L12 VanDerWaalsContact C-N 3.26Å; P10-L12 PolarHBondContact O-N 3.43Å; L12-A15 PolarHBondContact O-N 3.5Å; L12-I16 HydrophobicContact CG-CD1 4.28Å; L12-I16 WeakPolarHBondContact O-CD1 3.4Å; L12-I16 VanDerWaalsContact O-CG1 3.22Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 3.09Å; L12-I24 HydrophobicContact CD1-CG2 3.95Å; L12-L27 HydrophobicContact CD1-CB 4.33Å; L12-I28 HydrophobicContact CD1-CG1 4.34Å; L12-E32 VanDerWaalsContact CB-OE2 3.29Å; L12-E32 WeakPolarHBondContact CB-OE2 3.23Å; L12-E32 PolarHBondContact N-OE2 3.29Å; L12-E32 VanDerWaalsContact N-OE2 3.1Å; L12-P44 HydrophobicContact CD2-CB 4.1Å; L12-P44 HydrophobicContact CD2-CG 3.88Å; L12-P44 HydrophobicContact CG-CB 4.42Å; L12-P44 HydrophobicContact CG-CG 4.49Å |
| 13 | I | 85.4 | Confident | 76.3 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 176.9 | -62 | -64.6 | 0 | 0 | 0 | 110.3 | Q9 P10 P11 A15 I16 F17 P44 A47 | Q9-I13 HydrophobicContact CB-CB 4.11Å; Q9-I13 HydrophobicContact CB-CG2 3.94Å; Q9-I13 HydrophobicContact CG-CG2 4.31Å; P10-I13 HydrophobicContact CB-CG1 4.2Å; P10-I13 HydrophobicContact CG-CG1 4.2Å; P10-I13 WeakPolarHBondContact O-CA 3.46Å; P10-I13 WeakPolarHBondContact O-CB 3.12Å; P10-I13 PolarHBondContact O-N 3.31Å; P11-I13 VanDerWaalsContact C-N 3.32Å; P11-I13 PolarHBondContact O-N 3.22Å; I13-A15 VanDerWaalsContact C-N 3.32Å; I13-A15 PolarHBondContact O-N 3.45Å; I13-I16 HydrophobicContact CD1-CD1 4.5Å; I13-I16 PolarHBondContact O-N 3.33Å; I13-F17 HydrophobicContact CG2-CD2 3.82Å; I13-F17 HydrophobicContact CG2-CE2 3.79Å; I13-F17 VanDerWaalsContact O-CD2 3.28Å; I13-F17 WeakPolarHBondContact O-CD2 3.47Å; I13-F17 PolarHBondContact O-N 2.95Å; I13-F17 VanDerWaalsContact O-N 3.1Å; I13-P44 VanDerWaalsContact CD1-CA 3.44Å; I13-P44 HydrophobicContact CD1-CB 3.79Å; I13-P44 HydrophobicContact CD1-CG 3.77Å; I13-A47 HydrophobicContact CD1-CB 4.26Å |
| 14 | Q | 84.3 | Confident | 78.6 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 176.7 | -59.2 | -175 | 22 | 0 | 0 | 111.2 | L6 A7 Q9 P10 P11 I16 F17 S18 | L6-Q14 HydrophobicContact CG-CG 4.45Å; L6-Q14 WeakPolarHBondContact O-CG 3.41Å; L6-Q14 PolarHBondContact O-NE2 3.44Å; A7-Q14 PolarHBondContact O-NE2 2.76Å; A7-Q14 VanDerWaalsContact O-NE2 3.09Å; Q9-Q14 HydrophobicContact CB-CG 4.4Å; Q9-Q14 PolarHBondContact O-NE2 2.96Å; P10-Q14 PolarHBondContact O-N 2.86Å; P10-Q14 VanDerWaalsContact O-N 3.09Å; P11-Q14 WeakPolarHBondContact O-CB 3.45Å; P11-Q14 PolarHBondContact O-N 3.29Å; P11-Q14 VanDerWaalsContact O-N 3.13Å; Q14-I16 PolarHBondContact O-N 3.49Å; Q14-F17 PolarHBondContact O-N 3.41Å; Q14-S18 PolarHBondContact O-N 2.87Å |
| 15 | A | 84.7 | Confident | 80 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | P11 L12 I13 F17 S18 G19 E23 I24 L27 | P11-A15 PolarHBondContact O-N 2.93Å; L12-A15 PolarHBondContact O-N 3.5Å; I13-A15 VanDerWaalsContact C-N 3.32Å; I13-A15 PolarHBondContact O-N 3.45Å; A15-F17 VanDerWaalsContact C-N 3.34Å; A15-F17 PolarHBondContact O-N 2.83Å; A15-S18 VanDerWaalsContact CA-OG 3.31Å; A15-S18 WeakPolarHBondContact CA-OG 3.07Å; A15-S18 PolarHBondContact O-N 3.09Å; A15-S18 PolarHBondContact O-OG 2.81Å; A15-G19 PolarHBondContact O-N 3.48Å; A15-E23 HydrophobicContact CB-CG 4.09Å; A15-I24 HydrophobicContact CB-CG1 3.76Å; A15-L27 HydrophobicContact CB-CD1 3.64Å |
| 16 | I | 86.9 | Confident | 81 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 173.2 | -70.9 | 163.6 | 0 | 0 | 0 | 111.2 | L12 I13 Q14 G19 I24 P44 A47 A48 L51 I56 L60 | L12-I16 HydrophobicContact CG-CD1 4.28Å; L12-I16 WeakPolarHBondContact O-CD1 3.4Å; L12-I16 VanDerWaalsContact O-CG1 3.22Å; L12-I16 WeakPolarHBondContact O-CG1 3.43Å; L12-I16 PolarHBondContact O-N 3.09Å; I13-I16 HydrophobicContact CD1-CD1 4.5Å; I13-I16 PolarHBondContact O-N 3.33Å; Q14-I16 PolarHBondContact O-N 3.49Å; I16-G19 PolarHBondContact O-N 3.03Å; I16-I24 HydrophobicContact CG1-CD1 3.91Å; I16-I24 HydrophobicContact CG1-CG1 4.39Å; I16-P44 HydrophobicContact CD1-CB 3.59Å; I16-A47 HydrophobicContact CG2-CB 4.15Å; I16-A48 HydrophobicContact CG2-CB 4.03Å; I16-L51 HydrophobicContact CG2-CD1 3.85Å; I16-L51 WeakPolarHBondContact O-CD1 3.41Å; I16-I56 HydrophobicContact CG1-CG2 4.05Å; I16-I56 HydrophobicContact CG2-CG2 4.45Å; I16-L60 HydrophobicContact CD1-CD1 3.86Å; I16-L60 HydrophobicContact CG1-CD1 4.49Å |
| 17 | F | 85.3 | Confident | 81.9 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 38% | 0.377 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -75.9 | -21 | 176.5 | -80.4 | -75.9 | 0 | 0 | 0 | 113.8 | L6 I13 Q14 A15 A47 L51 | L6-F17 HydrophobicContact CD1-CB 3.93Å; L6-F17 HydrophobicContact CD1-CD2 3.55Å; L6-F17 HydrophobicContact CD1-CE2 4.26Å; L6-F17 HydrophobicContact CD1-CG 3.85Å; L6-F17 HydrophobicContact CD2-CB 4.11Å; I13-F17 HydrophobicContact CG2-CD2 3.82Å; I13-F17 HydrophobicContact CG2-CE2 3.79Å; I13-F17 VanDerWaalsContact O-CD2 3.28Å; I13-F17 WeakPolarHBondContact O-CD2 3.47Å; I13-F17 PolarHBondContact O-N 2.95Å; I13-F17 VanDerWaalsContact O-N 3.1Å; Q14-F17 PolarHBondContact O-N 3.41Å; A15-F17 VanDerWaalsContact C-N 3.34Å; A15-F17 PolarHBondContact O-N 2.83Å; F17-A47 HydrophobicContact CE2-CB 4.02Å; F17-A47 HydrophobicContact CZ-CB 4.32Å; F17-L51 HydrophobicContact CD1-CD1 4.01Å; F17-L51 HydrophobicContact CD1-CD2 3.92Å; F17-L51 HydrophobicContact CD1-CG 4.31Å; F17-L51 HydrophobicContact CE1-CD1 4.35Å; F17-L51 HydrophobicContact CE1-CD2 3.94Å; F17-L51 HydrophobicContact CE1-CG 4.25Å; F17-L51 HydrophobicContact CG-CD1 4.44Å |
| 18 | S | 83.3 | Confident | 82.5 | Confident | 75 Ų | 75 | 54.7 Ų | 54.7 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -79.3 | -22.9 | 171.3 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | Q14 A15 | Q14-S18 PolarHBondContact O-N 2.87Å; A15-S18 VanDerWaalsContact CA-OG 3.31Å; A15-S18 WeakPolarHBondContact CA-OG 3.07Å; A15-S18 PolarHBondContact O-N 3.09Å; A15-S18 PolarHBondContact O-OG 2.81Å |
| 19 | G | 80.9 | Confident | 83 | Confident | 37 Ų | 37 | 58.8 Ų | 58.8 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 23.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A15 I16 P21 | A15-G19 PolarHBondContact O-N 3.48Å; I16-G19 PolarHBondContact O-N 3.03Å; G19-P21 VanDerWaalsContact O-CD 3.28Å; G19-P21 WeakPolarHBondContact O-CD 3.36Å |
| 20 | D | 82 | Confident | 83.1 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 34% | 0.342 | 32% | 0.319 | S | S | . | . | trans | -98.6 | 101 | 179.7 | -173.2 | -29.2 | 0 | 0 | 0 | 110.7 | E22 E23 I24 | D20-E22 VanDerWaalsContact C-N 3.31Å; D20-E22 PolarHBondContact O-N 3.05Å; D20-E22 WeakPolarHBondContact OD1-CB 3.42Å; D20-E22 PolarHBondContact OD1-N 2.81Å; D20-E23 HydrophobicContact CB-CB 3.86Å; D20-E23 PolarHBondContact O-N 3.08Å; D20-E23 PolarHBondContact OD1-N 3.45Å; D20-I24 VanDerWaalsContact O-CG1 3.27Å; D20-I24 WeakPolarHBondContact O-CG1 3.25Å; D20-I24 PolarHBondContact O-N 3.16Å; D20-I24 VanDerWaalsContact O-N 3.11Å | ||
| 21 | P | 79.6 | Confident | 82.8 | Confident | 22 Ų | 22 | 66.9 Ų | 66.9 | 14% | 0.143 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.9 | -26.8 | -177.7 | 24.8 | -28.6 | 0 | 0 | 0 | 113 | G19 R25 | G19-P21 VanDerWaalsContact O-CD 3.28Å; G19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-R25 VanDerWaalsContact O-CG 3.29Å; P21-R25 WeakPolarHBondContact O-CG 3.5Å; P21-R25 PolarHBondContact O-N 3.43Å |
| 22 | E | 82.1 | Confident | 82.7 | Confident | 117 Ų | 117 | 66.1 Ų | 66.1 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.2 | -43 | 174 | -75.3 | 67.7 | -156.2 | 0 | 0 | 111.4 | D20 I24 R25 M26 | D20-E22 VanDerWaalsContact C-N 3.31Å; D20-E22 PolarHBondContact O-N 3.05Å; D20-E22 WeakPolarHBondContact OD1-CB 3.42Å; D20-E22 PolarHBondContact OD1-N 2.81Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-R25 PolarHBondContact O-N 3.38Å; E22-M26 WeakPolarHBondContact O-CG 3.41Å; E22-M26 PolarHBondContact O-N 3.25Å |
| 23 | E | 83.5 | Confident | 82.6 | Confident | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.1 | -170.9 | 170.6 | -156.8 | 0 | 0 | 111 | A15 D20 R25 M26 L27 | A15-E23 HydrophobicContact CB-CG 4.09Å; D20-E23 HydrophobicContact CB-CB 3.86Å; D20-E23 PolarHBondContact O-N 3.08Å; D20-E23 PolarHBondContact OD1-N 3.45Å; E23-R25 PolarHBondContact O-N 2.87Å; E23-M26 WeakPolarHBondContact O-CB 3.32Å; E23-M26 PolarHBondContact O-N 2.73Å; E23-L27 HydrophobicContact CG-CD1 4.26Å; E23-L27 WeakPolarHBondContact O-CG 3.3Å; E23-L27 PolarHBondContact O-N 3.5Å |
| 24 | I | 83.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.7 | -65 | 166.4 | 0 | 0 | 0 | 111.2 | L12 A15 I16 D20 E22 M26 L27 I28 I56 L59 L60 | L12-I24 HydrophobicContact CD1-CG2 3.95Å; A15-I24 HydrophobicContact CB-CG1 3.76Å; I16-I24 HydrophobicContact CG1-CD1 3.91Å; I16-I24 HydrophobicContact CG1-CG1 4.39Å; D20-I24 VanDerWaalsContact O-CG1 3.27Å; D20-I24 WeakPolarHBondContact O-CG1 3.25Å; D20-I24 PolarHBondContact O-N 3.16Å; D20-I24 VanDerWaalsContact O-N 3.11Å; E22-I24 VanDerWaalsContact C-N 3.34Å; I24-M26 VanDerWaalsContact C-N 3.32Å; I24-M26 PolarHBondContact O-N 3.11Å; I24-L27 PolarHBondContact O-N 3.32Å; I24-I28 HydrophobicContact CG2-CD1 3.75Å; I24-I28 HydrophobicContact CG2-CG1 4.42Å; I24-I28 WeakPolarHBondContact O-CB 3.22Å; I24-I28 VanDerWaalsContact O-CG1 3.25Å; I24-I28 WeakPolarHBondContact O-CG1 3.43Å; I24-I28 PolarHBondContact O-N 3.39Å; I24-I56 HydrophobicContact CD1-CB 4.47Å; I24-I56 HydrophobicContact CD1-CD1 3.67Å; I24-I56 HydrophobicContact CD1-CG1 3.86Å; I24-I56 HydrophobicContact CD1-CG2 3.81Å; I24-L59 HydrophobicContact CB-CD2 4.19Å; I24-L59 HydrophobicContact CG2-CD2 3.71Å; I24-L60 HydrophobicContact CG2-CD2 4.41Å |
| 25 | R | 83.5 | Confident | 82.9 | Confident | 134 Ų | 134 | 69.6 Ų | 69.6 | 51% | 0.506 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 174.8 | -77.1 | 175.8 | -174 | -172.7 | 6.6 | 112 | P21 E22 E23 I28 Y29 L59 | P21-R25 VanDerWaalsContact O-CG 3.29Å; P21-R25 WeakPolarHBondContact O-CG 3.5Å; P21-R25 PolarHBondContact O-N 3.43Å; E22-R25 PolarHBondContact O-N 3.38Å; E23-R25 PolarHBondContact O-N 2.87Å; R25-I28 PolarHBondContact O-N 3.35Å; R25-Y29 WeakPolarHBondContact O-CB 3.34Å; R25-Y29 PolarHBondContact O-N 3.42Å; R25-L59 HydrophobicContact CG-CD1 3.82Å; R25-L59 HydrophobicContact CG-CD2 3.71Å; R25-L59 HydrophobicContact CG-CG 4.4Å |
| 26 | M | 84.4 | Confident | 83 | Confident | 109 Ų | 109 | 70.9 Ų | 70.9 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 177.9 | -75.3 | -64.9 | -64 | 0 | 0 | 112.2 | E22 E23 I24 Y29 K30 | E22-M26 WeakPolarHBondContact O-CG 3.41Å; E22-M26 PolarHBondContact O-N 3.25Å; E23-M26 WeakPolarHBondContact O-CB 3.32Å; E23-M26 PolarHBondContact O-N 2.73Å; I24-M26 VanDerWaalsContact C-N 3.32Å; I24-M26 PolarHBondContact O-N 3.11Å; M26-Y29 PolarHBondContact O-N 3.46Å; M26-K30 WeakPolarHBondContact O-CG 3.19Å; M26-K30 PolarHBondContact O-N 3.15Å; M26-K30 VanDerWaalsContact O-N 3.1Å |
| 27 | L | 83.4 | Confident | 83.1 | Confident | 20 Ų | 20 | 76.2 Ų | 76.2 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -69.7 | -38.2 | 177.8 | -67.8 | 172 | 0 | 0 | 0 | 112.1 | P11 L12 A15 E23 I24 K30 E32 | P11-L27 HydrophobicContact CB-CD1 4.29Å; P11-L27 HydrophobicContact CB-CD2 4.25Å; L12-L27 HydrophobicContact CD1-CB 4.33Å; A15-L27 HydrophobicContact CB-CD1 3.64Å; E23-L27 HydrophobicContact CG-CD1 4.26Å; E23-L27 WeakPolarHBondContact O-CG 3.3Å; E23-L27 PolarHBondContact O-N 3.5Å; I24-L27 PolarHBondContact O-N 3.32Å; L27-K30 PolarHBondContact O-N 2.62Å; L27-E32 PolarHBondContact O-N 2.97Å |
| 28 | I | 81.4 | Confident | 83.1 | Confident | 31 Ų | 31 | 73.6 Ų | 73.6 | 16% | 0.159 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62 | -44.4 | 172.2 | -69.6 | 167.4 | 0 | 0 | 0 | 110.8 | L12 I24 R25 K30 S31 I34 L59 L60 | L12-I28 HydrophobicContact CD1-CG1 4.34Å; I24-I28 HydrophobicContact CG2-CD1 3.75Å; I24-I28 HydrophobicContact CG2-CG1 4.42Å; I24-I28 WeakPolarHBondContact O-CB 3.22Å; I24-I28 VanDerWaalsContact O-CG1 3.25Å; I24-I28 WeakPolarHBondContact O-CG1 3.43Å; I24-I28 PolarHBondContact O-N 3.39Å; R25-I28 PolarHBondContact O-N 3.35Å; I28-K30 PolarHBondContact O-N 2.96Å; I28-S31 PolarHBondContact O-N 3.35Å; I28-I34 HydrophobicContact CG1-CD1 4.4Å; I28-I34 HydrophobicContact CG1-CG1 4.28Å; I28-I34 HydrophobicContact CG2-CD1 4.03Å; I28-L59 HydrophobicContact CD1-CD2 4.48Å; I28-L59 HydrophobicContact CD1-CG 4.29Å; I28-L60 HydrophobicContact CD1-CD2 4.23Å |
| 29 | Y | 80.3 | Confident | 83.2 | Confident | 202 Ų | 202 | 75 Ų | 75 | 79% | 0.792 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.3 | -30 | 177 | -170.9 | -94.3 | 0 | 0 | 0 | 112.7 | R25 M26 S31 | R25-Y29 WeakPolarHBondContact O-CB 3.34Å; R25-Y29 PolarHBondContact O-N 3.42Å; M26-Y29 PolarHBondContact O-N 3.46Å; Y29-S31 PolarHBondContact O-N 3.36Å |
| 30 | K | 80.7 | Confident | 83.4 | Confident | 143 Ų | 143 | 77.2 Ų | 77.2 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 9 | 173.6 | -72.8 | 176.1 | -178.5 | 176.7 | 0 | 114.1 | M26 L27 I28 | M26-K30 WeakPolarHBondContact O-CG 3.19Å; M26-K30 PolarHBondContact O-N 3.15Å; M26-K30 VanDerWaalsContact O-N 3.1Å; L27-K30 PolarHBondContact O-N 2.62Å; I28-K30 PolarHBondContact O-N 2.96Å |
| 31 | S | 75.9 | Confident | 83.7 | Confident | 110 Ų | 110 | 79.6 Ų | 79.6 | 77% | 0.769 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 33.3 | 178.2 | -54.2 | 0 | 0 | 0 | 0 | 114.4 | I28 Y29 | I28-S31 PolarHBondContact O-N 3.35Å; Y29-S31 PolarHBondContact O-N 3.36Å |
| 32 | E | 80.3 | Confident | 84.2 | Confident | 52 Ų | 52 | 82.1 Ų | 82.1 | 24% | 0.243 | 40% | 0.401 | C | S | . | . | trans | -65.6 | 145.3 | 166.9 | -68.6 | -163 | 171.3 | 0 | 0 | 111.2 | P11 L12 L27 I34 | P11-E32 WeakPolarHBondContact CB-OE1 3.46Å; L12-E32 VanDerWaalsContact CB-OE2 3.29Å; L12-E32 WeakPolarHBondContact CB-OE2 3.23Å; L12-E32 PolarHBondContact N-OE2 3.29Å; L12-E32 VanDerWaalsContact N-OE2 3.1Å; L27-E32 PolarHBondContact O-N 2.97Å; E32-I34 PolarHBondContact O-N 3.31Å; E32-I34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | D | 83.3 | Confident | 84.7 | Confident | 106 Ų | 106 | 76.8 Ų | 76.8 | 57% | 0.567 | 38% | 0.377 | S | S | * | . | trans | -72.9 | 105 | -179.4 | -177.2 | 6.5 | 0 | 0 | 0 | 111.1 | N35 A36 | D33-N35 PolarHBondContact O-N 2.89Å; D33-N35 WeakPolarHBondContact OD1-CA 3.43Å; D33-N35 PolarHBondContact OD1-N 3.49Å; D33-A36 HydrophobicContact CB-CB 4.25Å; D33-A36 VanDerWaalsContact O-CB 3.26Å; D33-A36 WeakPolarHBondContact O-CB 3.49Å; D33-A36 PolarHBondContact O-N 3.01Å; D33-A36 VanDerWaalsContact O-N 3.1Å; D33-A36 PolarHBondContact OD1-N 3.49Å | ||
| 34 | I | 86.3 | Confident | 85 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 11% | 0.108 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -20.6 | 179.2 | -59.6 | 164.8 | 0 | 0 | 0 | 112.1 | I28 E32 P44 L60 S63 A65 | I28-I34 HydrophobicContact CG1-CD1 4.4Å; I28-I34 HydrophobicContact CG1-CG1 4.28Å; I28-I34 HydrophobicContact CG2-CD1 4.03Å; E32-I34 PolarHBondContact O-N 3.31Å; E32-I34 VanDerWaalsContact O-N 3.1Å; I34-P44 WeakPolarHBondContact O-CD 3.48Å; I34-P44 WeakPolarHBondContact O-CG 3.13Å; I34-L60 HydrophobicContact CG2-CD2 4.24Å; I34-S63 WeakPolarHBondContact CD1-O 3.4Å; I34-A65 HydrophobicContact CG2-CB 3.71Å |
| 35 | N | 89.3 | Confident | 85.5 | Confident | 37 Ų | 37 | 72.4 Ų | 72.4 | 20% | 0.198 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 19.3 | 178.3 | -65.5 | -72 | 0 | 0 | 0 | 112.5 | D33 L37 G64 R66 | D33-N35 PolarHBondContact O-N 2.89Å; D33-N35 WeakPolarHBondContact OD1-CA 3.43Å; D33-N35 PolarHBondContact OD1-N 3.49Å; N35-L37 PolarHBondContact O-N 3.3Å; N35-G64 PolarHBondContact ND2-O 3.4Å; N35-G64 VanDerWaalsContact ND2-O 3.17Å; N35-R66 WeakPolarHBondContact OD1-CG 3.48Å; N35-R66 PolarHBondContact OD1-N 3.16Å |
| 36 | A | 86.6 | Confident | 85.9 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | trans | -51.4 | 135.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D33 P44 | D33-A36 HydrophobicContact CB-CB 4.25Å; D33-A36 VanDerWaalsContact O-CB 3.26Å; D33-A36 WeakPolarHBondContact O-CB 3.49Å; D33-A36 PolarHBondContact O-N 3.01Å; D33-A36 VanDerWaalsContact O-N 3.1Å; D33-A36 PolarHBondContact OD1-N 3.49Å; A36-P44 VanDerWaalsContact O-CD 3.29Å; A36-P44 WeakPolarHBondContact O-CD 3.2Å | ||
| 37 | L | 88.8 | Confident | 86.2 | Confident | 113 Ų | 113 | 61.8 Ų | 61.8 | 59% | 0.592 | 31% | 0.314 | S | S | * | . | trans | -107 | 128.2 | -178.5 | -61.8 | 178.7 | 0 | 0 | 0 | 109.8 | N35 T43 | N35-L37 PolarHBondContact O-N 3.3Å; L37-T43 HydrophobicContact CD2-CG2 3.63Å | ||
| 38 | D | 86.2 | Confident | 86.6 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 16% | 0.16 | 31% | 0.309 | C | S | . | . | trans | -79 | 179.2 | 169.9 | 81.4 | -6.3 | 0 | 0 | 0 | 111.7 | E40 K41 R42 | D38-E40 PolarHBondContact O-N 3.47Å; D38-E40 VanDerWaalsContact O-N 3.08Å; D38-E40 VanDerWaalsContact OD1-C 3.25Å; D38-E40 VanDerWaalsContact OD1-CA 3.28Å; D38-E40 WeakPolarHBondContact OD1-CA 3.43Å; D38-E40 WeakPolarHBondContact OD1-CB 3.22Å; D38-E40 PolarHBondContact OD1-N 3.12Å; D38-K41 WeakPolarHBondContact O-CA 3.41Å; D38-K41 PolarHBondContact O-N 2.97Å; D38-K41 PolarHBondContact OD1-N 3.02Å; D38-R42 PolarHBondContact N-O 3.4Å; D38-R42 WeakPolarHBondContact OD1-CB 3.44Å; D38-R42 PolarHBondContact OD1-N 3.44Å; D38-R42 IonicContact OD1-NE 3.08Å; D38-R42 IonicContact OD2-CZ 2.82Å; D38-R42 IonicContact OD2-NE 2.74Å; D38-R42 PolarHBondContact OD2-NE 3.33Å; D38-R42 IonicContact OD2-NH2 2.99Å; D38-R42 PolarHBondContact OD2-NH2 3.43Å | ||
| 39 | P | 85.9 | Confident | 87.2 | Confident | 106 Ų | 106 | 59.4 Ų | 59.4 | 69% | 0.688 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.9 | 178.1 | -26 | 35.7 | 0 | 0 | 0 | 114.6 | K41 N72 | P39-K41 VanDerWaalsContact C-N 3.35Å; P39-N72 PolarHBondContact O-ND2 3.49Å |
| 40 | E | 84.7 | Confident | 87.7 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 6.6 | 175.5 | -68.1 | -178.6 | -161.5 | 0 | 0 | 112.9 | D38 R42 N72 | D38-E40 PolarHBondContact O-N 3.47Å; D38-E40 VanDerWaalsContact O-N 3.08Å; D38-E40 VanDerWaalsContact OD1-C 3.25Å; D38-E40 VanDerWaalsContact OD1-CA 3.28Å; D38-E40 WeakPolarHBondContact OD1-CA 3.43Å; D38-E40 WeakPolarHBondContact OD1-CB 3.22Å; D38-E40 PolarHBondContact OD1-N 3.12Å; E40-R42 HydrophobicContact CB-CG 3.97Å; E40-R42 VanDerWaalsContact CD-NH1 3.34Å; E40-R42 PolarHBondContact O-N 2.84Å; E40-R42 IonicContact OE1-NH1 3.11Å; E40-R42 IonicContact OE2-CZ 3.32Å; E40-R42 IonicContact OE2-NE 3.7Å; E40-R42 PolarHBondContact OE2-NE 3.34Å; E40-R42 IonicContact OE2-NH1 3.63Å; E40-R42 PolarHBondContact OE2-NH1 3.41Å; E40-R42 IonicContact OE2-NH2 3.8Å; E40-N72 WeakPolarHBondContact CA-ND2 3.39Å; E40-N72 VanDerWaalsContact O-CB 3.31Å; E40-N72 WeakPolarHBondContact O-CB 3.4Å; E40-N72 PolarHBondContact O-N 3.11Å |
| 41 | K | 88.3 | Confident | 88.2 | Confident | 114 Ų | 114 | 52.2 Ų | 52.2 | 50% | 0.496 | 28% | 0.277 | S | S | . | . | trans | 59 | 26.9 | -172.9 | -58.5 | -173.6 | -174.5 | -178.3 | 0 | 114.2 | D38 P39 N72 | D38-K41 WeakPolarHBondContact O-CA 3.41Å; D38-K41 PolarHBondContact O-N 2.97Å; D38-K41 PolarHBondContact OD1-N 3.02Å; P39-K41 VanDerWaalsContact C-N 3.35Å; K41-N72 WeakPolarHBondContact CD-OD1 3.11Å; K41-N72 WeakPolarHBondContact CE-OD1 3.19Å; K41-N72 VanDerWaalsContact CG-OD1 3.26Å; K41-N72 WeakPolarHBondContact CG-OD1 3.44Å | ||
| 42 | R | 89.6 | Confident | 88.9 | Confident | 75 Ų | 75 | 47.5 Ų | 47.5 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | trans | -82.4 | 139.6 | 174.6 | -57.5 | 174.9 | -60.1 | -164.4 | 6.8 | 109.1 | D38 E40 H46 D71 | D38-R42 PolarHBondContact N-O 3.4Å; D38-R42 WeakPolarHBondContact OD1-CB 3.44Å; D38-R42 PolarHBondContact OD1-N 3.44Å; D38-R42 IonicContact OD1-NE 3.08Å; D38-R42 IonicContact OD2-CZ 2.82Å; D38-R42 IonicContact OD2-NE 2.74Å; D38-R42 PolarHBondContact OD2-NE 3.33Å; D38-R42 IonicContact OD2-NH2 2.99Å; D38-R42 PolarHBondContact OD2-NH2 3.43Å; E40-R42 HydrophobicContact CB-CG 3.97Å; E40-R42 VanDerWaalsContact CD-NH1 3.34Å; E40-R42 PolarHBondContact O-N 2.84Å; E40-R42 IonicContact OE1-NH1 3.11Å; E40-R42 IonicContact OE2-CZ 3.32Å; E40-R42 IonicContact OE2-NE 3.7Å; E40-R42 PolarHBondContact OE2-NE 3.34Å; E40-R42 IonicContact OE2-NH1 3.63Å; E40-R42 PolarHBondContact OE2-NH1 3.41Å; E40-R42 IonicContact OE2-NH2 3.8Å; R42-H46 HydrophobicContact CB-CB 4.21Å; R42-D71 HydrophobicContact CG-CB 3.76Å | ||
| 43 | T | 92.3 | Very high | 89.4 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | -94.7 | 162.9 | 175.2 | 61.7 | 0 | 0 | 0 | 0 | 111.2 | L37 L45 H46 A47 A69 | L37-T43 HydrophobicContact CD2-CG2 3.63Å; T43-L45 PolarHBondContact O-N 2.85Å; T43-L45 VanDerWaalsContact O-N 3.13Å; T43-H46 PolarHBondContact N-ND1 2.79Å; T43-H46 VanDerWaalsContact N-ND1 3.18Å; T43-H46 WeakPolarHBondContact O-CA 3.41Å; T43-H46 VanDerWaalsContact O-CB 3.31Å; T43-H46 WeakPolarHBondContact O-CB 3.3Å; T43-H46 PolarHBondContact O-N 3.42Å; T43-H46 PolarHBondContact OG1-N 3.24Å; T43-H46 PolarHBondContact OG1-ND1 3.08Å; T43-A47 PolarHBondContact O-N 3.04Å; T43-A69 HydrophobicContact CG2-CB 3.79Å | ||
| 44 | P | 91 | Very high | 89.9 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -49.6 | -35.3 | 168.3 | -28.4 | 33.4 | 0 | 0 | 0 | 113.9 | L12 I13 I16 I34 A36 H46 A47 A48 L60 | L12-P44 HydrophobicContact CD2-CB 4.1Å; L12-P44 HydrophobicContact CD2-CG 3.88Å; L12-P44 HydrophobicContact CG-CB 4.42Å; L12-P44 HydrophobicContact CG-CG 4.49Å; I13-P44 VanDerWaalsContact CD1-CA 3.44Å; I13-P44 HydrophobicContact CD1-CB 3.79Å; I13-P44 HydrophobicContact CD1-CG 3.77Å; I16-P44 HydrophobicContact CD1-CB 3.59Å; I34-P44 WeakPolarHBondContact O-CD 3.48Å; I34-P44 WeakPolarHBondContact O-CG 3.13Å; A36-P44 VanDerWaalsContact O-CD 3.29Å; A36-P44 WeakPolarHBondContact O-CD 3.2Å; P44-H46 VanDerWaalsContact C-N 3.31Å; P44-H46 PolarHBondContact O-N 2.94Å; P44-A47 WeakPolarHBondContact O-CB 3.49Å; P44-A47 PolarHBondContact O-N 3.15Å; P44-A47 VanDerWaalsContact O-N 3.11Å; P44-A48 PolarHBondContact O-N 3.13Å; P44-L60 HydrophobicContact CB-CD1 4.49Å |
| 45 | L | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.3 | -31.4 | 175.2 | -166.9 | 62.9 | 0 | 0 | 0 | 113.3 | T43 A49 I57 L60 I61 A65 P77 L93 | T43-L45 PolarHBondContact O-N 2.85Å; T43-L45 VanDerWaalsContact O-N 3.13Å; L45-A49 WeakPolarHBondContact O-CB 3.4Å; L45-A49 PolarHBondContact O-N 2.99Å; L45-I57 HydrophobicContact CD1-CB 4.39Å; L45-I57 HydrophobicContact CD1-CG1 4.38Å; L45-I57 HydrophobicContact CD1-CG2 4.04Å; L45-L60 HydrophobicContact CD1-CB 4.12Å; L45-L60 HydrophobicContact CD1-CD1 4.35Å; L45-I61 HydrophobicContact CD1-CD1 4.34Å; L45-I61 HydrophobicContact CD1-CG1 3.94Å; L45-I61 HydrophobicContact CD2-CG1 4.09Å; L45-A65 HydrophobicContact CB-CB 4.31Å; L45-A65 HydrophobicContact CD2-CB 4.09Å; L45-P77 HydrophobicContact CB-CG 4.26Å; L45-P77 HydrophobicContact CD2-CB 4.25Å; L45-P77 HydrophobicContact CD2-CG 3.91Å; L45-P77 HydrophobicContact CG-CB 3.99Å; L45-P77 HydrophobicContact CG-CG 3.91Å; L45-L93 HydrophobicContact CD2-CD2 4.45Å |
| 46 | H | 92.8 | Very high | 90.2 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -37 | 172.3 | -71.6 | 84.3 | 0 | 0 | 0 | 112 | R42 T43 P44 F50 A69 L75 | R42-H46 HydrophobicContact CB-CB 4.21Å; T43-H46 PolarHBondContact N-ND1 2.79Å; T43-H46 VanDerWaalsContact N-ND1 3.18Å; T43-H46 WeakPolarHBondContact O-CA 3.41Å; T43-H46 VanDerWaalsContact O-CB 3.31Å; T43-H46 WeakPolarHBondContact O-CB 3.3Å; T43-H46 PolarHBondContact O-N 3.42Å; T43-H46 PolarHBondContact OG1-N 3.24Å; T43-H46 PolarHBondContact OG1-ND1 3.08Å; P44-H46 VanDerWaalsContact C-N 3.31Å; P44-H46 PolarHBondContact O-N 2.94Å; H46-F50 WeakPolarHBondContact O-CB 3.22Å; H46-F50 PolarHBondContact O-N 3.37Å; H46-A69 PolarHBondContact CE1-O 2.95Å; H46-A69 PolarHBondContact NE2-O 3Å; H46-L75 PolarHBondContact NE2-O 3.06Å |
| 47 | A | 90.1 | Very high | 90.6 | Very high | 14 Ų | 14 | 45 Ų | 45 | 12% | 0.116 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.7 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | I13 I16 F17 T43 P44 A49 F50 L51 | I13-A47 HydrophobicContact CD1-CB 4.26Å; I16-A47 HydrophobicContact CG2-CB 4.15Å; F17-A47 HydrophobicContact CE2-CB 4.02Å; F17-A47 HydrophobicContact CZ-CB 4.32Å; T43-A47 PolarHBondContact O-N 3.04Å; P44-A47 WeakPolarHBondContact O-CB 3.49Å; P44-A47 PolarHBondContact O-N 3.15Å; P44-A47 VanDerWaalsContact O-N 3.11Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A47-A49 PolarHBondContact O-N 2.95Å; A47-F50 WeakPolarHBondContact O-CB 3.41Å; A47-F50 PolarHBondContact O-N 2.95Å; A47-L51 PolarHBondContact O-N 2.97Å |
| 48 | A | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I16 P44 F50 L51 G52 D53 I56 I57 L60 | I16-A48 HydrophobicContact CG2-CB 4.03Å; P44-A48 PolarHBondContact O-N 3.13Å; A48-F50 PolarHBondContact O-N 3.39Å; A48-L51 PolarHBondContact O-N 3.03Å; A48-G52 PolarHBondContact O-N 3.13Å; A48-D53 PolarHBondContact O-N 3.31Å; A48-I56 HydrophobicContact CB-CB 4.48Å; A48-I56 HydrophobicContact CB-CG2 3.78Å; A48-I57 HydrophobicContact CB-CG1 3.75Å; A48-L60 HydrophobicContact CB-CD1 3.8Å |
| 49 | A | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.4 | -34.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L45 A47 G52 I57 P77 R80 A81 S84 | L45-A49 WeakPolarHBondContact O-CB 3.4Å; L45-A49 PolarHBondContact O-N 2.99Å; A47-A49 VanDerWaalsContact C-N 3.34Å; A47-A49 PolarHBondContact O-N 2.95Å; A49-G52 PolarHBondContact O-N 2.96Å; A49-I57 HydrophobicContact CB-CD1 4.31Å; A49-P77 HydrophobicContact CB-CB 3.91Å; A49-P77 WeakPolarHBondContact CB-O 3.48Å; A49-R80 HydrophobicContact CB-CB 4.09Å; A49-R80 CarbonylContact O-C 3.57Å; A49-A81 HydrophobicContact CB-CB 4.15Å; A49-A81 VanDerWaalsContact O-CA 3.27Å; A49-A81 WeakPolarHBondContact O-CA 3.49Å; A49-A81 PolarHBondContact O-N 3.33Å; A49-S84 PolarHBondContact O-OG 3.41Å |
| 50 | F | 91.6 | Very high | 91.3 | Very high | 117 Ų | 117 | 38 Ų | 38 | 51% | 0.513 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 174.1 | 175 | -99.5 | 0 | 0 | 0 | 112.2 | H46 A47 A48 G52 R80 S84 | H46-F50 WeakPolarHBondContact O-CB 3.22Å; H46-F50 PolarHBondContact O-N 3.37Å; A47-F50 WeakPolarHBondContact O-CB 3.41Å; A47-F50 PolarHBondContact O-N 2.95Å; A48-F50 PolarHBondContact O-N 3.39Å; F50-G52 VanDerWaalsContact C-N 3.29Å; F50-R80 HydrophobicContact CB-CB 4.46Å; F50-S84 VanDerWaalsContact O-CB 3.3Å; F50-S84 WeakPolarHBondContact O-CB 3.48Å |
| 51 | L | 90 | Very high | 91.7 | Very high | 77 Ų | 77 | 34.9 Ų | 34.9 | 40% | 0.403 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -71.1 | -27.5 | 172.8 | -65.2 | 172.7 | 0 | 0 | 0 | 112.2 | I16 F17 A47 A48 | I16-L51 HydrophobicContact CG2-CD1 3.85Å; I16-L51 WeakPolarHBondContact O-CD1 3.41Å; F17-L51 HydrophobicContact CD1-CD1 4.01Å; F17-L51 HydrophobicContact CD1-CD2 3.92Å; F17-L51 HydrophobicContact CD1-CG 4.31Å; F17-L51 HydrophobicContact CE1-CD1 4.35Å; F17-L51 HydrophobicContact CE1-CD2 3.94Å; F17-L51 HydrophobicContact CE1-CG 4.25Å; F17-L51 HydrophobicContact CG-CD1 4.44Å; A47-L51 PolarHBondContact O-N 2.97Å; A48-L51 PolarHBondContact O-N 3.03Å |
| 52 | G | 90.5 | Very high | 91.8 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 19.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A48 A49 F50 A54 S86 | A48-G52 PolarHBondContact O-N 3.13Å; A49-G52 PolarHBondContact O-N 2.96Å; F50-G52 VanDerWaalsContact C-N 3.29Å; G52-A54 PolarHBondContact O-N 2.83Å; G52-S86 PolarHBondContact O-OG 2.8Å |
| 53 | D | 91.8 | Very high | 91.8 | Very high | 55 Ų | 55 | 33.9 Ų | 33.9 | 29% | 0.294 | 18% | 0.179 | S | C | . | . | trans | -81.5 | 105 | -180 | -168.3 | -31.9 | 0 | 0 | 0 | 110.9 | A48 E55 I56 I57 | A48-D53 PolarHBondContact O-N 3.31Å; D53-E55 VanDerWaalsContact C-N 3.33Å; D53-E55 PolarHBondContact O-N 3.49Å; D53-E55 PolarHBondContact OD1-N 3.25Å; D53-I56 HydrophobicContact CB-CB 4.21Å; D53-I56 HydrophobicContact CB-CD1 4.19Å; D53-I56 HydrophobicContact CB-CG1 4.33Å; D53-I56 PolarHBondContact OD1-N 2.85Å; D53-I56 VanDerWaalsContact OD2-CD1 3.22Å; D53-I56 WeakPolarHBondContact OD2-CD1 3.35Å; D53-I57 WeakPolarHBondContact O-CB 3.41Å; D53-I57 VanDerWaalsContact O-CD1 3.23Å; D53-I57 WeakPolarHBondContact O-CD1 3.31Å; D53-I57 WeakPolarHBondContact O-CG1 3.29Å; D53-I57 PolarHBondContact O-N 3.14Å; D53-I57 VanDerWaalsContact O-N 3.09Å | ||
| 54 | A | 92.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -33.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | G52 E58 D88 V92 | G52-A54 PolarHBondContact O-N 2.83Å; A54-E58 WeakPolarHBondContact O-CB 3.19Å; A54-E58 PolarHBondContact O-N 3.12Å; A54-D88 HydrophobicContact CB-CB 3.8Å; A54-V92 HydrophobicContact CB-CG2 4.04Å |
| 55 | E | 91.8 | Very high | 91.7 | Very high | 114 Ų | 114 | 36.1 Ų | 36.1 | 53% | 0.533 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -71.6 | -45 | -177.1 | -177.7 | 170.2 | -170.7 | 0 | 0 | 110.6 | D53 E58 L59 | D53-E55 VanDerWaalsContact C-N 3.33Å; D53-E55 PolarHBondContact O-N 3.49Å; D53-E55 PolarHBondContact OD1-N 3.25Å; E55-E58 PolarHBondContact O-N 2.83Å; E55-L59 WeakPolarHBondContact O-CB 3.15Å; E55-L59 PolarHBondContact O-N 3.24Å |
| 56 | I | 91.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.5 | -41 | 175.9 | -64.2 | 177.1 | 0 | 0 | 0 | 110.8 | I16 I24 A48 D53 E58 L59 L60 | I16-I56 HydrophobicContact CG1-CG2 4.05Å; I16-I56 HydrophobicContact CG2-CG2 4.45Å; I24-I56 HydrophobicContact CD1-CB 4.47Å; I24-I56 HydrophobicContact CD1-CD1 3.67Å; I24-I56 HydrophobicContact CD1-CG1 3.86Å; I24-I56 HydrophobicContact CD1-CG2 3.81Å; A48-I56 HydrophobicContact CB-CB 4.48Å; A48-I56 HydrophobicContact CB-CG2 3.78Å; D53-I56 HydrophobicContact CB-CB 4.21Å; D53-I56 HydrophobicContact CB-CD1 4.19Å; D53-I56 HydrophobicContact CB-CG1 4.33Å; D53-I56 PolarHBondContact OD1-N 2.85Å; D53-I56 VanDerWaalsContact OD2-CD1 3.22Å; D53-I56 WeakPolarHBondContact OD2-CD1 3.35Å; I56-E58 PolarHBondContact O-N 2.95Å; I56-L59 PolarHBondContact O-N 3.39Å; I56-L60 HydrophobicContact CG2-CD1 3.86Å; I56-L60 HydrophobicContact CG2-CG 4.27Å; I56-L60 WeakPolarHBondContact O-CB 3.32Å; I56-L60 VanDerWaalsContact O-CG 3.25Å; I56-L60 WeakPolarHBondContact O-CG 2.9Å; I56-L60 PolarHBondContact O-N 3.05Å |
| 57 | I | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 175.8 | -72.1 | 165.8 | 0 | 0 | 0 | 110.7 | L45 A48 A49 D53 L60 I61 A89 V92 L93 | L45-I57 HydrophobicContact CD1-CB 4.39Å; L45-I57 HydrophobicContact CD1-CG1 4.38Å; L45-I57 HydrophobicContact CD1-CG2 4.04Å; A48-I57 HydrophobicContact CB-CG1 3.75Å; A49-I57 HydrophobicContact CB-CD1 4.31Å; D53-I57 WeakPolarHBondContact O-CB 3.41Å; D53-I57 VanDerWaalsContact O-CD1 3.23Å; D53-I57 WeakPolarHBondContact O-CD1 3.31Å; D53-I57 WeakPolarHBondContact O-CG1 3.29Å; D53-I57 PolarHBondContact O-N 3.14Å; D53-I57 VanDerWaalsContact O-N 3.09Å; I57-L60 PolarHBondContact O-N 3.36Å; I57-I61 HydrophobicContact CG2-CD1 3.7Å; I57-I61 VanDerWaalsContact O-CG1 3.22Å; I57-I61 WeakPolarHBondContact O-CG1 3.31Å; I57-I61 PolarHBondContact O-N 2.97Å; I57-A89 HydrophobicContact CD1-CB 3.46Å; I57-A89 VanDerWaalsContact CD1-CB 3.46Å; I57-V92 HydrophobicContact CG2-CB 4.4Å; I57-V92 HydrophobicContact CG2-CG1 3.77Å; I57-L93 HydrophobicContact CG2-CD2 3.86Å; I57-L93 HydrophobicContact CG2-CG 3.92Å |
| 58 | E | 93.3 | Very high | 92 | Very high | 77 Ų | 77 | 48 Ų | 48 | 36% | 0.36 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 179.6 | -170.1 | 163.7 | -153.6 | 0 | 0 | 111.1 | A54 E55 I56 L60 I61 L62 V92 | A54-E58 WeakPolarHBondContact O-CB 3.19Å; A54-E58 PolarHBondContact O-N 3.12Å; E55-E58 PolarHBondContact O-N 2.83Å; I56-E58 PolarHBondContact O-N 2.95Å; E58-L60 PolarHBondContact O-N 3.48Å; E58-I61 PolarHBondContact O-N 3.19Å; E58-L62 HydrophobicContact CG-CD1 4.03Å; E58-L62 HydrophobicContact CG-CG 4.4Å; E58-L62 WeakPolarHBondContact O-CB 3.4Å; E58-L62 VanDerWaalsContact O-CG 3.31Å; E58-L62 WeakPolarHBondContact O-CG 3.34Å; E58-L62 PolarHBondContact O-N 2.8Å; E58-V92 HydrophobicContact CB-CG1 3.78Å; E58-V92 HydrophobicContact CG-CG1 4.31Å |
| 59 | L | 91.2 | Very high | 92.1 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -47.2 | 176 | 178.5 | 65.5 | 0 | 0 | 0 | 111.9 | I24 R25 I28 E55 I56 S63 | I24-L59 HydrophobicContact CB-CD2 4.19Å; I24-L59 HydrophobicContact CG2-CD2 3.71Å; R25-L59 HydrophobicContact CG-CD1 3.82Å; R25-L59 HydrophobicContact CG-CD2 3.71Å; R25-L59 HydrophobicContact CG-CG 4.4Å; I28-L59 HydrophobicContact CD1-CD2 4.48Å; I28-L59 HydrophobicContact CD1-CG 4.29Å; E55-L59 WeakPolarHBondContact O-CB 3.15Å; E55-L59 PolarHBondContact O-N 3.24Å; I56-L59 PolarHBondContact O-N 3.39Å; L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3Å; L59-S63 PolarHBondContact O-OG 3.07Å |
| 60 | L | 91.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | -179.9 | -71.5 | 170.8 | 0 | 0 | 0 | 111.7 | I16 I24 I28 I34 P44 L45 A48 I56 I57 E58 S63 G64 A65 | I16-L60 HydrophobicContact CD1-CD1 3.86Å; I16-L60 HydrophobicContact CG1-CD1 4.49Å; I24-L60 HydrophobicContact CG2-CD2 4.41Å; I28-L60 HydrophobicContact CD1-CD2 4.23Å; I34-L60 HydrophobicContact CG2-CD2 4.24Å; P44-L60 HydrophobicContact CB-CD1 4.49Å; L45-L60 HydrophobicContact CD1-CB 4.12Å; L45-L60 HydrophobicContact CD1-CD1 4.35Å; A48-L60 HydrophobicContact CB-CD1 3.8Å; I56-L60 HydrophobicContact CG2-CD1 3.86Å; I56-L60 HydrophobicContact CG2-CG 4.27Å; I56-L60 WeakPolarHBondContact O-CB 3.32Å; I56-L60 VanDerWaalsContact O-CG 3.25Å; I56-L60 WeakPolarHBondContact O-CG 2.9Å; I56-L60 PolarHBondContact O-N 3.05Å; I57-L60 PolarHBondContact O-N 3.36Å; E58-L60 PolarHBondContact O-N 3.48Å; L60-S63 PolarHBondContact O-N 3.18Å; L60-G64 PolarHBondContact O-N 3.4Å; L60-A65 HydrophobicContact CB-CB 4.06Å; L60-A65 WeakPolarHBondContact O-CB 3.43Å; L60-A65 PolarHBondContact O-N 2.75Å |
| 61 | I | 93.1 | Very high | 92.2 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.087 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -46.8 | 179.3 | -66.2 | 168.6 | 0 | 0 | 0 | 111.2 | L45 I57 E58 S63 G64 V67 V92 L93 H96 | L45-I61 HydrophobicContact CD1-CD1 4.34Å; L45-I61 HydrophobicContact CD1-CG1 3.94Å; L45-I61 HydrophobicContact CD2-CG1 4.09Å; I57-I61 HydrophobicContact CG2-CD1 3.7Å; I57-I61 VanDerWaalsContact O-CG1 3.22Å; I57-I61 WeakPolarHBondContact O-CG1 3.31Å; I57-I61 PolarHBondContact O-N 2.97Å; E58-I61 PolarHBondContact O-N 3.19Å; I61-S63 PolarHBondContact O-N 2.99Å; I61-G64 PolarHBondContact O-N 3.25Å; I61-V67 HydrophobicContact CD1-CG2 4.13Å; I61-V67 HydrophobicContact CG1-CG2 4.06Å; I61-V67 HydrophobicContact CG2-CG2 3.86Å; I61-V92 HydrophobicContact CD1-CG1 4.44Å; I61-L93 HydrophobicContact CD1-CD2 3.92Å; I61-H96 HydrophobicContact CD1-CB 4.22Å; I61-H96 HydrophobicContact CG2-CB 3.77Å |
| 62 | L | 91.8 | Very high | 92.3 | Very high | 124 Ų | 124 | 47.3 Ų | 47.3 | 65% | 0.649 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.4 | -28.5 | 175.5 | -70.1 | 175.8 | 0 | 0 | 0 | 112.1 | E58 G64 | E58-L62 HydrophobicContact CG-CD1 4.03Å; E58-L62 HydrophobicContact CG-CG 4.4Å; E58-L62 WeakPolarHBondContact O-CB 3.4Å; E58-L62 VanDerWaalsContact O-CG 3.31Å; E58-L62 WeakPolarHBondContact O-CG 3.34Å; E58-L62 PolarHBondContact O-N 2.8Å; L62-G64 VanDerWaalsContact C-N 3.31Å |
| 63 | S | 89.5 | Confident | 92.3 | Very high | 43 Ų | 43 | 51.6 Ų | 51.6 | 30% | 0.301 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -0.2 | 176.2 | -50.3 | 0 | 0 | 0 | 0 | 114 | I34 L59 L60 I61 | I34-S63 WeakPolarHBondContact CD1-O 3.4Å; L59-S63 WeakPolarHBondContact O-CB 3.4Å; L59-S63 PolarHBondContact O-N 3Å; L59-S63 PolarHBondContact O-OG 3.07Å; L60-S63 PolarHBondContact O-N 3.18Å; I61-S63 PolarHBondContact O-N 2.99Å |
| 64 | G | 88.9 | Confident | 92.4 | Very high | 46 Ų | 46 | 54.9 Ų | 54.9 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.8 | 18 | 175 | 0 | 0 | 0 | 0 | 0 | 116 | N35 L60 I61 L62 | N35-G64 PolarHBondContact ND2-O 3.4Å; N35-G64 VanDerWaalsContact ND2-O 3.17Å; L60-G64 PolarHBondContact O-N 3.4Å; I61-G64 PolarHBondContact O-N 3.25Å; L62-G64 VanDerWaalsContact C-N 3.31Å |
| 65 | A | 91.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | trans | -67 | 138.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I34 L45 L60 V67 | I34-A65 HydrophobicContact CG2-CB 3.71Å; L45-A65 HydrophobicContact CB-CB 4.31Å; L45-A65 HydrophobicContact CD2-CB 4.09Å; L60-A65 HydrophobicContact CB-CB 4.06Å; L60-A65 WeakPolarHBondContact O-CB 3.43Å; L60-A65 PolarHBondContact O-N 2.75Å; A65-V67 PolarHBondContact O-N 3.15Å | ||
| 66 | R | 93.2 | Very high | 92.7 | Very high | 179 Ų | 179 | 49.8 Ų | 49.8 | 68% | 0.675 | 25% | 0.252 | S | S | * | . | trans | -75.2 | 106.5 | 176.8 | -66.5 | 176.8 | -175.8 | -172.3 | 2.3 | 111.3 | N35 N68 A69 | N35-R66 WeakPolarHBondContact OD1-CG 3.48Å; N35-R66 PolarHBondContact OD1-N 3.16Å; R66-N68 VanDerWaalsContact C-N 3.32Å; R66-N68 PolarHBondContact O-N 3.43Å; R66-A69 HydrophobicContact CB-CB 4.2Å; R66-A69 WeakPolarHBondContact O-CB 3.47Å; R66-A69 PolarHBondContact O-N 3Å | ||
| 67 | V | 94.1 | Very high | 93 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -39.8 | -176.4 | -174.6 | 0 | 0 | 0 | 0 | 113.5 | I61 A65 P77 L93 H96 A98 | I61-V67 HydrophobicContact CD1-CG2 4.13Å; I61-V67 HydrophobicContact CG1-CG2 4.06Å; I61-V67 HydrophobicContact CG2-CG2 3.86Å; A65-V67 PolarHBondContact O-N 3.15Å; V67-P77 WeakPolarHBondContact O-CD 3.29Å; V67-L93 HydrophobicContact CG1-CD2 4.08Å; V67-H96 HydrophobicContact CG2-CB 4.23Å; V67-A98 HydrophobicContact CG1-CB 3.67Å |
| 68 | N | 95.1 | Very high | 93.1 | Very high | 70 Ų | 70 | 49.8 Ų | 49.8 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 26.5 | -176.7 | -65.7 | -46 | 0 | 0 | 0 | 113.4 | R66 S97 A98 D99 | R66-N68 VanDerWaalsContact C-N 3.32Å; R66-N68 PolarHBondContact O-N 3.43Å; N68-S97 PolarHBondContact ND2-O 3.5Å; N68-S97 VanDerWaalsContact ND2-O 3.13Å; N68-A98 WeakPolarHBondContact OD1-CA 3.33Å; N68-D99 PolarHBondContact OD1-N 3.46Å |
| 69 | A | 93.4 | Very high | 93.2 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | trans | -58.3 | 145.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T43 H46 R66 T76 P77 | T43-A69 HydrophobicContact CG2-CB 3.79Å; H46-A69 PolarHBondContact CE1-O 2.95Å; H46-A69 PolarHBondContact NE2-O 3Å; R66-A69 HydrophobicContact CB-CB 4.2Å; R66-A69 WeakPolarHBondContact O-CB 3.47Å; R66-A69 PolarHBondContact O-N 3Å; A69-T76 WeakPolarHBondContact O-CA 3.34Å; A69-P77 VanDerWaalsContact O-CD 3.29Å; A69-P77 WeakPolarHBondContact O-CD 3.28Å | ||
| 70 | K | 94.5 | Very high | 93.4 | Very high | 102 Ų | 102 | 48 Ų | 48 | 44% | 0.443 | 24% | 0.24 | S | C | . | . | trans | -117.3 | 129 | -178.5 | -77.6 | -173.9 | 177.6 | -169.3 | 0 | 110.6 | W74 L75 T76 | K70-W74 HydrophobicContact CD-CB 4.09Å; K70-W74 HydrophobicContact CD-CG 4.42Å; K70-L75 WeakPolarHBondContact CA-O 3.5Å; K70-T76 HydrophobicContact CG-CG2 4.13Å | ||
| 71 | D | 92.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | trans | -74.8 | -178.3 | 171.1 | 75 | 7.9 | 0 | 0 | 0 | 112.2 | R42 M73 W74 L75 R80 | R42-D71 HydrophobicContact CG-CB 3.76Å; D71-M73 PolarHBondContact O-N 3.4Å; D71-M73 VanDerWaalsContact O-N 3.11Å; D71-M73 VanDerWaalsContact OD1-C 3.3Å; D71-M73 VanDerWaalsContact OD1-CA 3.28Å; D71-M73 WeakPolarHBondContact OD1-CA 3.43Å; D71-M73 WeakPolarHBondContact OD1-CB 3.46Å; D71-M73 PolarHBondContact OD1-N 3.26Å; D71-W74 WeakPolarHBondContact O-CA 3.46Å; D71-W74 PolarHBondContact O-N 3.11Å; D71-W74 PolarHBondContact OD1-N 2.99Å; D71-L75 PolarHBondContact N-O 2.95Å; D71-L75 WeakPolarHBondContact OD1-CB 3.42Å; D71-L75 PolarHBondContact OD1-N 3.36Å; D71-R80 IonicContact OD2-CZ 2.65Å; D71-R80 IonicContact OD2-NH2 2.64Å; D71-R80 PolarHBondContact OD2-NH2 2.85Å | ||
| 72 | N | 93 | Very high | 93.7 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.6 | 177 | -86.4 | -15.8 | 0 | 0 | 0 | 113.6 | P39 E40 K41 K105 | P39-N72 PolarHBondContact O-ND2 3.49Å; E40-N72 WeakPolarHBondContact CA-ND2 3.39Å; E40-N72 VanDerWaalsContact O-CB 3.31Å; E40-N72 WeakPolarHBondContact O-CB 3.4Å; E40-N72 PolarHBondContact O-N 3.11Å; K41-N72 WeakPolarHBondContact CD-OD1 3.11Å; K41-N72 WeakPolarHBondContact CE-OD1 3.19Å; K41-N72 VanDerWaalsContact CG-OD1 3.26Å; K41-N72 WeakPolarHBondContact CG-OD1 3.44Å; N72-K105 WeakPolarHBondContact O-CE 3.43Å; N72-K105 PolarHBondContact O-NZ 3.4Å |
| 73 | M | 91.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 43.1 Ų | 43.1 | 50% | 0.498 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 7.7 | 173.2 | -63.9 | -57.7 | 126.9 | 0 | 0 | 112.9 | D71 L75 K105 | D71-M73 PolarHBondContact O-N 3.4Å; D71-M73 VanDerWaalsContact O-N 3.11Å; D71-M73 VanDerWaalsContact OD1-C 3.3Å; D71-M73 VanDerWaalsContact OD1-CA 3.28Å; D71-M73 WeakPolarHBondContact OD1-CA 3.43Å; D71-M73 WeakPolarHBondContact OD1-CB 3.46Å; D71-M73 PolarHBondContact OD1-N 3.26Å; M73-L75 HydrophobicContact CB-CD1 4.21Å; M73-L75 HydrophobicContact CB-CG 4.24Å; M73-L75 PolarHBondContact O-N 3.2Å; M73-K105 PolarHBondContact O-N 3.42Å; M73-K105 HydrophobicContact SD-CD 4.04Å |
| 74 | W | 94.1 | Very high | 93.9 | Very high | 123 Ų | 123 | 43 Ų | 43 | 47% | 0.466 | 22% | 0.22 | S | C | . | . | trans | 62.2 | 18.3 | -175 | -58.3 | -8.7 | 0 | 0 | 0 | 114.2 | K70 D71 K105 | K70-W74 HydrophobicContact CD-CB 4.09Å; K70-W74 HydrophobicContact CD-CG 4.42Å; D71-W74 WeakPolarHBondContact O-CA 3.46Å; D71-W74 PolarHBondContact O-N 3.11Å; D71-W74 PolarHBondContact OD1-N 2.99Å; W74-K105 HydrophobicContact CB-CG 4.32Å; W74-K105 HydrophobicContact CD2-CG 3.73Å; W74-K105 HydrophobicContact CE3-CG 4.05Å; W74-K105 HydrophobicContact CG-CG 3.84Å | ||
| 75 | L | 94.5 | Very high | 94.2 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 15% | 0.152 | 22% | 0.222 | C | C | . | . | trans | -71.8 | 140.8 | 172.2 | -63.7 | 165.3 | 0 | 0 | 0 | 108.7 | H46 K70 D71 M73 H79 D104 | H46-L75 PolarHBondContact NE2-O 3.06Å; K70-L75 WeakPolarHBondContact CA-O 3.5Å; D71-L75 PolarHBondContact N-O 2.95Å; D71-L75 WeakPolarHBondContact OD1-CB 3.42Å; D71-L75 PolarHBondContact OD1-N 3.36Å; M73-L75 HydrophobicContact CB-CD1 4.21Å; M73-L75 HydrophobicContact CB-CG 4.24Å; M73-L75 PolarHBondContact O-N 3.2Å; L75-H79 HydrophobicContact CB-CB 4.28Å; L75-H79 HydrophobicContact CD2-CB 3.8Å; L75-D104 HydrophobicContact CD2-CB 3.79Å; L75-D104 HydrophobicContact CG-CB 4.36Å | ||
| 76 | T | 96.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | trans | -98 | 163.8 | 172.6 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | A69 K70 L78 H79 R80 A102 | A69-T76 WeakPolarHBondContact O-CA 3.34Å; K70-T76 HydrophobicContact CG-CG2 4.13Å; T76-L78 PolarHBondContact O-N 3.32Å; T76-L78 VanDerWaalsContact O-N 3.16Å; T76-H79 PolarHBondContact N-ND1 3.28Å; T76-H79 WeakPolarHBondContact O-CB 3.37Å; T76-H79 PolarHBondContact O-N 3.14Å; T76-H79 PolarHBondContact OG1-N 3.03Å; T76-H79 PolarHBondContact OG1-ND1 3.02Å; T76-R80 PolarHBondContact O-N 3.19Å; T76-A102 HydrophobicContact CG2-CB 3.87Å | ||
| 77 | P | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -51.6 | -36.2 | 170.3 | -28.7 | 36.2 | 0 | 0 | 0 | 112.4 | L45 A49 V67 A69 H79 R80 A81 L93 | L45-P77 HydrophobicContact CB-CG 4.26Å; L45-P77 HydrophobicContact CD2-CB 4.25Å; L45-P77 HydrophobicContact CD2-CG 3.91Å; L45-P77 HydrophobicContact CG-CB 3.99Å; L45-P77 HydrophobicContact CG-CG 3.91Å; A49-P77 HydrophobicContact CB-CB 3.91Å; A49-P77 WeakPolarHBondContact CB-O 3.48Å; V67-P77 WeakPolarHBondContact O-CD 3.29Å; A69-P77 VanDerWaalsContact O-CD 3.29Å; A69-P77 WeakPolarHBondContact O-CD 3.28Å; P77-H79 PolarHBondContact O-N 3.39Å; P77-R80 PolarHBondContact O-N 3.32Å; P77-R80 VanDerWaalsContact O-N 3.11Å; P77-A81 PolarHBondContact O-N 3.06Å; P77-L93 HydrophobicContact CB-CD1 4.41Å; P77-L93 HydrophobicContact CB-CD2 4.19Å |
| 78 | L | 96.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | 175.1 | -175.2 | 62.7 | 0 | 0 | 0 | 113 | T76 R80 A81 V82 V90 L93 I94 A98 V100 P110 | T76-L78 PolarHBondContact O-N 3.32Å; T76-L78 VanDerWaalsContact O-N 3.16Å; L78-R80 VanDerWaalsContact C-N 3.29Å; L78-R80 PolarHBondContact O-N 2.82Å; L78-A81 PolarHBondContact O-N 3.36Å; L78-V82 HydrophobicContact CD1-CG2 4.36Å; L78-V82 WeakPolarHBondContact O-CB 3.43Å; L78-V82 VanDerWaalsContact O-CG2 3.24Å; L78-V82 WeakPolarHBondContact O-CG2 3.5Å; L78-V82 PolarHBondContact O-N 3.4Å; L78-V90 HydrophobicContact CD1-CB 4.4Å; L78-V90 HydrophobicContact CD1-CG1 4.05Å; L78-V90 HydrophobicContact CD1-CG2 4.16Å; L78-L93 HydrophobicContact CB-CD1 4.45Å; L78-L93 HydrophobicContact CD1-CB 4.26Å; L78-L93 HydrophobicContact CD1-CD1 4.32Å; L78-I94 HydrophobicContact CD1-CG1 4.43Å; L78-A98 HydrophobicContact CB-CB 4.38Å; L78-A98 HydrophobicContact CD2-CB 4.11Å; L78-V100 HydrophobicContact CD2-CB 4.47Å; L78-V100 HydrophobicContact CD2-CG1 4Å; L78-P110 HydrophobicContact CD2-CB 4.26Å; L78-P110 HydrophobicContact CD2-CG 3.83Å; L78-P110 HydrophobicContact CG-CB 4.21Å; L78-P110 HydrophobicContact CG-CG 4.04Å |
| 79 | H | 96.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -40 | 174.5 | -70.2 | 84.2 | 0 | 0 | 0 | 111.7 | L75 T76 P77 A83 A102 Q108 P110 | L75-H79 HydrophobicContact CB-CB 4.28Å; L75-H79 HydrophobicContact CD2-CB 3.8Å; T76-H79 PolarHBondContact N-ND1 3.28Å; T76-H79 WeakPolarHBondContact O-CB 3.37Å; T76-H79 PolarHBondContact O-N 3.14Å; T76-H79 PolarHBondContact OG1-N 3.03Å; T76-H79 PolarHBondContact OG1-ND1 3.02Å; P77-H79 PolarHBondContact O-N 3.39Å; H79-A83 WeakPolarHBondContact O-CB 3.48Å; H79-A83 PolarHBondContact O-N 3.32Å; H79-A102 PolarHBondContact CE1-O 2.92Å; H79-A102 PolarHBondContact NE2-O 3.2Å; H79-Q108 PolarHBondContact NE2-O 3.43Å; H79-P110 WeakPolarHBondContact NE2-CD 3.47Å |
| 80 | R | 94.4 | Very high | 94.6 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 23% | 0.234 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.8 | -42.2 | 179.5 | -62.9 | -70.2 | -178 | 166.8 | 1 | 112 | A49 F50 D71 T76 P77 L78 V82 A83 S84 | A49-R80 HydrophobicContact CB-CB 4.09Å; A49-R80 CarbonylContact O-C 3.57Å; F50-R80 HydrophobicContact CB-CB 4.46Å; D71-R80 IonicContact OD2-CZ 2.65Å; D71-R80 IonicContact OD2-NH2 2.64Å; D71-R80 PolarHBondContact OD2-NH2 2.85Å; T76-R80 PolarHBondContact O-N 3.19Å; P77-R80 PolarHBondContact O-N 3.32Å; P77-R80 VanDerWaalsContact O-N 3.11Å; L78-R80 VanDerWaalsContact C-N 3.29Å; L78-R80 PolarHBondContact O-N 2.82Å; R80-V82 VanDerWaalsContact C-N 3.29Å; R80-V82 PolarHBondContact O-N 3.01Å; R80-A83 WeakPolarHBondContact O-CB 3.38Å; R80-A83 PolarHBondContact O-N 2.88Å; R80-S84 PolarHBondContact O-N 3.42Å; R80-S84 PolarHBondContact O-OG 3.11Å |
| 81 | A | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.2 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A49 P77 L78 S84 R85 S86 A89 V90 L93 | A49-A81 HydrophobicContact CB-CB 4.15Å; A49-A81 VanDerWaalsContact O-CA 3.27Å; A49-A81 WeakPolarHBondContact O-CA 3.49Å; A49-A81 PolarHBondContact O-N 3.33Å; P77-A81 PolarHBondContact O-N 3.06Å; L78-A81 PolarHBondContact O-N 3.36Å; A81-S84 WeakPolarHBondContact CA-OG 3.48Å; A81-S84 PolarHBondContact O-OG 2.97Å; A81-R85 PolarHBondContact O-N 3.4Å; A81-S86 PolarHBondContact O-N 3.48Å; A81-A89 HydrophobicContact CB-CB 4.01Å; A81-V90 HydrophobicContact CB-CG2 3.96Å; A81-L93 HydrophobicContact CB-CD1 3.65Å |
| 82 | V | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.2 | -40.8 | 173.8 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | L78 R80 S84 R85 V90 P110 V113 A114 A119 C122 I126 | L78-V82 HydrophobicContact CD1-CG2 4.36Å; L78-V82 WeakPolarHBondContact O-CB 3.43Å; L78-V82 VanDerWaalsContact O-CG2 3.24Å; L78-V82 WeakPolarHBondContact O-CG2 3.5Å; L78-V82 PolarHBondContact O-N 3.4Å; R80-V82 VanDerWaalsContact C-N 3.29Å; R80-V82 PolarHBondContact O-N 3.01Å; V82-S84 VanDerWaalsContact C-N 3.26Å; V82-S84 PolarHBondContact O-N 2.89Å; V82-R85 PolarHBondContact O-N 3.28Å; V82-V90 HydrophobicContact CG2-CG2 3.66Å; V82-P110 WeakPolarHBondContact CG1-O 3.21Å; V82-P110 HydrophobicContact CG2-CB 4.2Å; V82-V113 HydrophobicContact CG1-CB 4.27Å; V82-V113 HydrophobicContact CG1-CG1 4.22Å; V82-A114 HydrophobicContact CG1-CB 3.47Å; V82-A114 VanDerWaalsContact CG1-CB 3.47Å; V82-A114 VanDerWaalsContact CG1-N 3.33Å; V82-A119 HydrophobicContact CG1-CB 4.36Å; V82-C122 HydrophobicContact CG1-CB 4.45Å; V82-C122 HydrophobicContact CG2-CB 4.38Å; V82-I126 HydrophobicContact CG2-CD1 3.41Å; V82-I126 VanDerWaalsContact CG2-CD1 3.41Å |
| 83 | A | 94.1 | Very high | 95 | Very high | 38 Ų | 38 | 37 Ų | 37 | 31% | 0.314 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.2 | -35.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H79 R80 R85 V113 | H79-A83 WeakPolarHBondContact O-CB 3.48Å; H79-A83 PolarHBondContact O-N 3.32Å; R80-A83 WeakPolarHBondContact O-CB 3.38Å; R80-A83 PolarHBondContact O-N 2.88Å; A83-R85 PolarHBondContact O-N 3.16Å; A83-V113 HydrophobicContact CB-CG1 3.77Å |
| 84 | S | 91.3 | Very high | 95.2 | Very high | 42 Ų | 42 | 33.8 Ų | 33.8 | 29% | 0.294 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -3.3 | 175 | 63.5 | 0 | 0 | 0 | 0 | 114.1 | A49 F50 R80 A81 V82 S86 | A49-S84 PolarHBondContact O-OG 3.41Å; F50-S84 VanDerWaalsContact O-CB 3.3Å; F50-S84 WeakPolarHBondContact O-CB 3.48Å; R80-S84 PolarHBondContact O-N 3.42Å; R80-S84 PolarHBondContact O-OG 3.11Å; A81-S84 WeakPolarHBondContact CA-OG 3.48Å; A81-S84 PolarHBondContact O-OG 2.97Å; V82-S84 VanDerWaalsContact C-N 3.26Å; V82-S84 PolarHBondContact O-N 2.89Å; S84-S86 PolarHBondContact O-N 3.01Å |
| 85 | R | 94.6 | Very high | 95.3 | Very high | 137 Ų | 137 | 36.4 Ų | 36.4 | 52% | 0.517 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 23.4 | -179.9 | -43.6 | -178.2 | -172.6 | -165.3 | -3.8 | 114.1 | A81 V82 A83 E87 N117 A119 | A81-R85 PolarHBondContact O-N 3.4Å; V82-R85 PolarHBondContact O-N 3.28Å; A83-R85 PolarHBondContact O-N 3.16Å; R85-E87 PolarHBondContact O-N 2.91Å; R85-N117 PolarHBondContact NE-O 2.56Å; R85-N117 PolarHBondContact NH2-O 2.78Å; R85-A119 HydrophobicContact CB-CB 4.21Å; R85-A119 HydrophobicContact CG-CB 4.04Å |
| 86 | S | 94.6 | Very high | 95.3 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | trans | -85.5 | 105.8 | 178.3 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | G52 A81 S84 D88 A89 V90 | G52-S86 PolarHBondContact O-OG 2.8Å; A81-S86 PolarHBondContact O-N 3.48Å; S84-S86 PolarHBondContact O-N 3.01Å; S86-D88 VanDerWaalsContact C-N 3.35Å; S86-A89 VanDerWaalsContact OG-CB 3.31Å; S86-A89 WeakPolarHBondContact OG-CB 3.5Å; S86-A89 PolarHBondContact OG-N 3.46Å; S86-V90 VanDerWaalsContact O-CG2 3.27Å; S86-V90 WeakPolarHBondContact O-CG2 2.97Å; S86-V90 PolarHBondContact O-N 3.06Å | ||
| 87 | E | 95.8 | Very high | 95.2 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.1 | -174.3 | -171.4 | 123.3 | 0 | 0 | 111.3 | R85 V90 R91 R121 V125 | R85-E87 PolarHBondContact O-N 2.91Å; E87-V90 WeakPolarHBondContact O-CB 3.1Å; E87-V90 PolarHBondContact O-N 3.29Å; E87-R91 HydrophobicContact CG-CG 4.37Å; E87-R91 WeakPolarHBondContact O-CG 3.49Å; E87-R91 PolarHBondContact O-N 2.89Å; E87-R91 IonicContact OE1-CZ 2.79Å; E87-R91 IonicContact OE1-NE 2.69Å; E87-R91 PolarHBondContact OE1-NE 3.38Å; E87-R91 IonicContact OE1-NH2 3.64Å; E87-R91 PolarHBondContact OE1-NH2 3.08Å; E87-R121 HydrophobicContact CB-CB 4.15Å; E87-R121 HydrophobicContact CG-CB 4.35Å; E87-R121 IonicContact OE1-NH2 3.84Å; E87-R121 PolarHBondContact OE1-NH2 3.43Å; E87-R121 VanDerWaalsContact OE2-CB 3.28Å; E87-R121 WeakPolarHBondContact OE2-CB 3.3Å; E87-R121 IonicContact OE2-CZ 2.86Å; E87-R121 IonicContact OE2-NE 2.66Å; E87-R121 PolarHBondContact OE2-NE 3.17Å; E87-R121 IonicContact OE2-NH2 3.81Å; E87-R121 PolarHBondContact OE2-NH2 3.45Å; E87-V125 HydrophobicContact CG-CG2 3.96Å |
| 88 | D | 95.1 | Very high | 95.2 | Very high | 95 Ų | 95 | 43 Ų | 43 | 51% | 0.508 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.1 | -43.2 | -174.6 | -61.4 | -44.5 | 0 | 0 | 0 | 111.2 | A54 S86 V90 R91 V92 | A54-D88 HydrophobicContact CB-CB 3.8Å; S86-D88 VanDerWaalsContact C-N 3.35Å; D88-V90 VanDerWaalsContact C-N 3.33Å; D88-V90 PolarHBondContact O-N 3.03Å; D88-R91 PolarHBondContact O-N 3.15Å; D88-V92 WeakPolarHBondContact O-CG2 3.11Å; D88-V92 PolarHBondContact O-N 3.31Å |
| 89 | A | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I57 A81 S86 V92 L93 | I57-A89 HydrophobicContact CD1-CB 3.46Å; I57-A89 VanDerWaalsContact CD1-CB 3.46Å; A81-A89 HydrophobicContact CB-CB 4.01Å; S86-A89 VanDerWaalsContact OG-CB 3.31Å; S86-A89 WeakPolarHBondContact OG-CB 3.5Å; S86-A89 PolarHBondContact OG-N 3.46Å; A89-V92 PolarHBondContact O-N 2.88Å; A89-L93 WeakPolarHBondContact O-CB 3.37Å; A89-L93 VanDerWaalsContact O-CG 3.32Å; A89-L93 WeakPolarHBondContact O-CG 3.49Å; A89-L93 PolarHBondContact O-N 3.07Å |
| 90 | V | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 176.4 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | L78 A81 V82 S86 E87 D88 L93 I94 C122 V125 I126 | L78-V90 HydrophobicContact CD1-CB 4.4Å; L78-V90 HydrophobicContact CD1-CG1 4.05Å; L78-V90 HydrophobicContact CD1-CG2 4.16Å; A81-V90 HydrophobicContact CB-CG2 3.96Å; V82-V90 HydrophobicContact CG2-CG2 3.66Å; S86-V90 VanDerWaalsContact O-CG2 3.27Å; S86-V90 WeakPolarHBondContact O-CG2 2.97Å; S86-V90 PolarHBondContact O-N 3.06Å; E87-V90 WeakPolarHBondContact O-CB 3.1Å; E87-V90 PolarHBondContact O-N 3.29Å; D88-V90 VanDerWaalsContact C-N 3.33Å; D88-V90 PolarHBondContact O-N 3.03Å; V90-L93 PolarHBondContact O-N 3.19Å; V90-I94 HydrophobicContact CG1-CD1 3.59Å; V90-I94 HydrophobicContact CG1-CG1 4.43Å; V90-I94 WeakPolarHBondContact O-CB 3.28Å; V90-I94 VanDerWaalsContact O-CG1 3.25Å; V90-I94 WeakPolarHBondContact O-CG1 3.45Å; V90-I94 PolarHBondContact O-N 3.13Å; V90-C122 HydrophobicContact CG2-CB 4.22Å; V90-V125 HydrophobicContact CG1-CB 4.48Å; V90-V125 HydrophobicContact CG1-CG1 4.25Å; V90-I126 HydrophobicContact CG1-CD1 4.09Å; V90-I126 HydrophobicContact CG1-CG1 4.02Å |
| 91 | R | 96.3 | Very high | 95 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 37% | 0.366 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 177.1 | -74 | -175.8 | -174.3 | -70.9 | -0.9 | 112 | E87 D88 I94 R95 V125 | E87-R91 HydrophobicContact CG-CG 4.37Å; E87-R91 WeakPolarHBondContact O-CG 3.49Å; E87-R91 PolarHBondContact O-N 2.89Å; E87-R91 IonicContact OE1-CZ 2.79Å; E87-R91 IonicContact OE1-NE 2.69Å; E87-R91 PolarHBondContact OE1-NE 3.38Å; E87-R91 IonicContact OE1-NH2 3.64Å; E87-R91 PolarHBondContact OE1-NH2 3.08Å; D88-R91 PolarHBondContact O-N 3.15Å; R91-I94 PolarHBondContact O-N 3.32Å; R91-R95 WeakPolarHBondContact O-CB 3.25Å; R91-R95 VanDerWaalsContact O-CG 3.25Å; R91-R95 WeakPolarHBondContact O-CG 3.46Å; R91-R95 PolarHBondContact O-N 2.86Å; R91-V125 HydrophobicContact CG-CG1 4.12Å; R91-V125 HydrophobicContact CG-CG2 4.27Å; R91-V125 VanDerWaalsContact CZ-CG2 3.44Å |
| 92 | V | 96.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -49.5 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | A54 I57 E58 I61 D88 A89 I94 R95 H96 | A54-V92 HydrophobicContact CB-CG2 4.04Å; I57-V92 HydrophobicContact CG2-CB 4.4Å; I57-V92 HydrophobicContact CG2-CG1 3.77Å; E58-V92 HydrophobicContact CB-CG1 3.78Å; E58-V92 HydrophobicContact CG-CG1 4.31Å; I61-V92 HydrophobicContact CD1-CG1 4.44Å; D88-V92 WeakPolarHBondContact O-CG2 3.11Å; D88-V92 PolarHBondContact O-N 3.31Å; A89-V92 PolarHBondContact O-N 2.88Å; V92-I94 VanDerWaalsContact C-N 3.34Å; V92-I94 PolarHBondContact O-N 3.27Å; V92-R95 PolarHBondContact O-N 3.15Å; V92-H96 PolarHBondContact O-CD2 3.29Å; V92-H96 VanDerWaalsContact O-CD2 3.29Å; V92-H96 PolarHBondContact O-N 3.28Å; V92-H96 VanDerWaalsContact O-N 3.16Å |
| 93 | L | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 178.7 | -73.9 | 167.2 | 0 | 0 | 0 | 112 | L45 I57 I61 V67 P77 L78 A81 A89 V90 H96 S97 A98 | L45-L93 HydrophobicContact CD2-CD2 4.45Å; I57-L93 HydrophobicContact CG2-CD2 3.86Å; I57-L93 HydrophobicContact CG2-CG 3.92Å; I61-L93 HydrophobicContact CD1-CD2 3.92Å; V67-L93 HydrophobicContact CG1-CD2 4.08Å; P77-L93 HydrophobicContact CB-CD1 4.41Å; P77-L93 HydrophobicContact CB-CD2 4.19Å; L78-L93 HydrophobicContact CB-CD1 4.45Å; L78-L93 HydrophobicContact CD1-CB 4.26Å; L78-L93 HydrophobicContact CD1-CD1 4.32Å; A81-L93 HydrophobicContact CB-CD1 3.65Å; A89-L93 WeakPolarHBondContact O-CB 3.37Å; A89-L93 VanDerWaalsContact O-CG 3.32Å; A89-L93 WeakPolarHBondContact O-CG 3.49Å; A89-L93 PolarHBondContact O-N 3.07Å; V90-L93 PolarHBondContact O-N 3.19Å; L93-H96 CarbonylContact O-C 3.47Å; L93-H96 PolarHBondContact O-N 3.49Å; L93-S97 PolarHBondContact O-N 3.34Å; L93-A98 VanDerWaalsContact C-CB 3.46Å; L93-A98 HydrophobicContact CB-CB 3.88Å; L93-A98 WeakPolarHBondContact O-CB 3.29Å; L93-A98 PolarHBondContact O-N 3.42Å |
| 94 | I | 95.5 | Very high | 94.9 | Very high | 33 Ų | 33 | 50.2 Ų | 50.2 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 178.5 | -71.9 | 169.1 | 0 | 0 | 0 | 111.8 | L78 V90 R91 V92 H96 S97 V100 V125 I126 L129 | L78-I94 HydrophobicContact CD1-CG1 4.43Å; V90-I94 HydrophobicContact CG1-CD1 3.59Å; V90-I94 HydrophobicContact CG1-CG1 4.43Å; V90-I94 WeakPolarHBondContact O-CB 3.28Å; V90-I94 VanDerWaalsContact O-CG1 3.25Å; V90-I94 WeakPolarHBondContact O-CG1 3.45Å; V90-I94 PolarHBondContact O-N 3.13Å; R91-I94 PolarHBondContact O-N 3.32Å; V92-I94 VanDerWaalsContact C-N 3.34Å; V92-I94 PolarHBondContact O-N 3.27Å; I94-H96 PolarHBondContact O-N 3.15Å; I94-S97 PolarHBondContact O-N 3.08Å; I94-V100 HydrophobicContact CD1-CG1 4.07Å; I94-V100 HydrophobicContact CG1-CG1 4.02Å; I94-V125 HydrophobicContact CD1-CG1 3.73Å; I94-I126 HydrophobicContact CD1-CG1 4.1Å; I94-L129 HydrophobicContact CD1-CD1 4.16Å; I94-L129 HydrophobicContact CG2-CD1 3.41Å; I94-L129 VanDerWaalsContact CG2-CD1 3.41Å |
| 95 | R | 95.8 | Very high | 95.1 | Very high | 179 Ų | 179 | 52.1 Ų | 52.1 | 68% | 0.675 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -56.2 | -34.2 | 174.9 | -77.4 | 173.9 | -172.7 | 167.3 | 4 | 111.8 | R91 V92 S97 | R91-R95 WeakPolarHBondContact O-CB 3.25Å; R91-R95 VanDerWaalsContact O-CG 3.25Å; R91-R95 WeakPolarHBondContact O-CG 3.46Å; R91-R95 PolarHBondContact O-N 2.86Å; V92-R95 PolarHBondContact O-N 3.15Å; R95-S97 VanDerWaalsContact C-N 3.32Å; R95-S97 PolarHBondContact O-N 3.28Å |
| 96 | H | 95.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 30.8 | 176.6 | -67.8 | -77.2 | 0 | 0 | 0 | 113.8 | I61 V67 V92 L93 I94 | I61-H96 HydrophobicContact CD1-CB 4.22Å; I61-H96 HydrophobicContact CG2-CB 3.77Å; V67-H96 HydrophobicContact CG2-CB 4.23Å; V92-H96 PolarHBondContact O-CD2 3.29Å; V92-H96 VanDerWaalsContact O-CD2 3.29Å; V92-H96 PolarHBondContact O-N 3.28Å; V92-H96 VanDerWaalsContact O-N 3.16Å; L93-H96 CarbonylContact O-C 3.47Å; L93-H96 PolarHBondContact O-N 3.49Å; I94-H96 PolarHBondContact O-N 3.15Å |
| 97 | S | 92.9 | Very high | 95.1 | Very high | 99 Ų | 99 | 54.3 Ų | 54.3 | 69% | 0.692 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 37 | 173.2 | -50.1 | 0 | 0 | 0 | 0 | 115.2 | N68 L93 I94 R95 | N68-S97 PolarHBondContact ND2-O 3.5Å; N68-S97 VanDerWaalsContact ND2-O 3.13Å; L93-S97 PolarHBondContact O-N 3.34Å; I94-S97 PolarHBondContact O-N 3.08Å; R95-S97 VanDerWaalsContact C-N 3.32Å; R95-S97 PolarHBondContact O-N 3.28Å |
| 98 | A | 95.4 | Very high | 95.1 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | trans | -63.5 | 134.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V67 N68 L78 L93 V100 | V67-A98 HydrophobicContact CG1-CB 3.67Å; N68-A98 WeakPolarHBondContact OD1-CA 3.33Å; L78-A98 HydrophobicContact CB-CB 4.38Å; L78-A98 HydrophobicContact CD2-CB 4.11Å; L93-A98 VanDerWaalsContact C-CB 3.46Å; L93-A98 HydrophobicContact CB-CB 3.88Å; L93-A98 WeakPolarHBondContact O-CB 3.29Å; L93-A98 PolarHBondContact O-N 3.42Å; A98-V100 PolarHBondContact O-N 2.98Å | ||
| 99 | D | 94.5 | Very high | 95.2 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 39% | 0.39 | 24% | 0.238 | S | C | . | . | trans | -77.8 | 105.7 | 179.3 | 178.3 | 14.3 | 0 | 0 | 0 | 111.1 | N68 N101 A102 | N68-D99 PolarHBondContact OD1-N 3.46Å; D99-N101 PolarHBondContact O-N 3.25Å; D99-N101 WeakPolarHBondContact OD1-CA 3.24Å; D99-N101 PolarHBondContact OD1-N 3.29Å; D99-A102 HydrophobicContact CB-CB 4.19Å; D99-A102 VanDerWaalsContact O-CB 3.3Å; D99-A102 WeakPolarHBondContact O-CB 3.21Å; D99-A102 PolarHBondContact O-N 2.92Å; D99-A102 PolarHBondContact OD1-N 3.14Å; D99-A102 PolarHBondContact OD2-N 3.47Å | ||
| 100 | V | 94.7 | Very high | 95.2 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.8 | 176.6 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | L78 I94 A98 P110 I126 L129 L130 | L78-V100 HydrophobicContact CD2-CB 4.47Å; L78-V100 HydrophobicContact CD2-CG1 4Å; I94-V100 HydrophobicContact CD1-CG1 4.07Å; I94-V100 HydrophobicContact CG1-CG1 4.02Å; A98-V100 PolarHBondContact O-N 2.98Å; V100-P110 WeakPolarHBondContact O-CD 3.26Å; V100-I126 HydrophobicContact CB-CG2 4.25Å; V100-I126 HydrophobicContact CG1-CG2 4.43Å; V100-L129 HydrophobicContact CG1-CB 4.42Å; V100-L129 HydrophobicContact CG2-CB 4.06Å; V100-L129 WeakPolarHBondContact CG2-O 3.41Å; V100-L130 HydrophobicContact CB-CD2 4.23Å; V100-L130 HydrophobicContact CG2-CD2 4.17Å; V100-L130 VanDerWaalsContact O-CD2 3.31Å; V100-L130 WeakPolarHBondContact O-CD2 3.29Å |
| 101 | N | 94.5 | Very high | 95.3 | Very high | 53 Ų | 53 | 51 Ų | 51 | 28% | 0.283 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 3.6 | 177.2 | -60.6 | -77.4 | 0 | 0 | 0 | 112.4 | D99 R103 S131 | D99-N101 PolarHBondContact O-N 3.25Å; D99-N101 WeakPolarHBondContact OD1-CA 3.24Å; D99-N101 PolarHBondContact OD1-N 3.29Å; N101-R103 PolarHBondContact O-N 2.93Å; N101-S131 PolarHBondContact OD1-N 3.28Å; N101-S131 PolarHBondContact OD1-OG 3.09Å |
| 102 | A | 94 | Very high | 95.3 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | trans | -55.2 | 139.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | T76 H79 D99 T109 P110 | T76-A102 HydrophobicContact CG2-CB 3.87Å; H79-A102 PolarHBondContact CE1-O 2.92Å; H79-A102 PolarHBondContact NE2-O 3.2Å; D99-A102 HydrophobicContact CB-CB 4.19Å; D99-A102 VanDerWaalsContact O-CB 3.3Å; D99-A102 WeakPolarHBondContact O-CB 3.21Å; D99-A102 PolarHBondContact O-N 2.92Å; D99-A102 PolarHBondContact OD1-N 3.14Å; D99-A102 PolarHBondContact OD2-N 3.47Å; A102-T109 WeakPolarHBondContact O-CA 3.26Å; A102-P110 WeakPolarHBondContact O-CD 3.3Å | ||
| 103 | R | 95.1 | Very high | 95.3 | Very high | 105 Ų | 105 | 46.9 Ų | 46.9 | 40% | 0.396 | 22% | 0.224 | S | C | . | . | trans | -115.1 | 133.6 | -179.2 | -72.3 | -175.9 | -176.5 | -178.2 | 2.9 | 111.6 | N101 Q108 T109 V135 | N101-R103 PolarHBondContact O-N 2.93Å; R103-Q108 WeakPolarHBondContact CA-O 3.08Å; R103-T109 HydrophobicContact CG-CG2 4.13Å; R103-V135 VanDerWaalsContact NH2-CG1 3.33Å | ||
| 104 | D | 94.8 | Very high | 95.3 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.048 | 22% | 0.224 | C | C | . | . | trans | -77.2 | -176.4 | 170.7 | 85.1 | -14.6 | 0 | 0 | 0 | 111.9 | L75 N106 W107 Q108 | L75-D104 HydrophobicContact CD2-CB 3.79Å; L75-D104 HydrophobicContact CG-CB 4.36Å; D104-N106 PolarHBondContact O-N 2.96Å; D104-N106 VanDerWaalsContact OD1-CA 3.24Å; D104-N106 WeakPolarHBondContact OD1-CA 3.42Å; D104-N106 WeakPolarHBondContact OD1-CB 3.4Å; D104-N106 PolarHBondContact OD1-N 2.97Å; D104-W107 PolarHBondContact O-N 2.76Å; D104-W107 PolarHBondContact OD1-N 3.46Å; D104-Q108 PolarHBondContact N-O 2.87Å; D104-Q108 WeakPolarHBondContact OD1-CB 3.25Å; D104-Q108 PolarHBondContact OD1-N 3.02Å | ||
| 105 | K | 94.8 | Very high | 95.4 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.4 | 176.8 | -84.4 | -171.1 | 174 | 169.8 | 0 | 114.5 | N72 M73 W74 W107 | N72-K105 WeakPolarHBondContact O-CE 3.43Å; N72-K105 PolarHBondContact O-NZ 3.4Å; M73-K105 PolarHBondContact O-N 3.42Å; M73-K105 HydrophobicContact SD-CD 4.04Å; W74-K105 HydrophobicContact CB-CG 4.32Å; W74-K105 HydrophobicContact CD2-CG 3.73Å; W74-K105 HydrophobicContact CE3-CG 4.05Å; W74-K105 HydrophobicContact CG-CG 3.84Å; K105-W107 VanDerWaalsContact C-N 3.34Å |
| 106 | N | 94.8 | Very high | 95.4 | Very high | 88 Ų | 88 | 38 Ų | 38 | 47% | 0.471 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 7.8 | 175.9 | -64.9 | -33.7 | 0 | 0 | 0 | 112.4 | D104 Q108 R138 | D104-N106 PolarHBondContact O-N 2.96Å; D104-N106 VanDerWaalsContact OD1-CA 3.24Å; D104-N106 WeakPolarHBondContact OD1-CA 3.42Å; D104-N106 WeakPolarHBondContact OD1-CB 3.4Å; D104-N106 PolarHBondContact OD1-N 2.97Å; N106-Q108 HydrophobicContact CB-CG 4.09Å; N106-Q108 PolarHBondContact O-N 3.37Å; N106-R138 WeakPolarHBondContact O-CB 3.44Å; N106-R138 PolarHBondContact O-N 3.27Å |
| 107 | W | 95.2 | Very high | 95.3 | Very high | 119 Ų | 119 | 37.8 Ų | 37.8 | 45% | 0.451 | 20% | 0.195 | S | C | . | . | trans | 61 | 21.4 | -174.6 | -57.1 | 1.3 | 0 | 0 | 0 | 114.3 | D104 K105 R138 | D104-W107 PolarHBondContact O-N 2.76Å; D104-W107 PolarHBondContact OD1-N 3.46Å; K105-W107 VanDerWaalsContact C-N 3.34Å; W107-R138 HydrophobicContact CB-CB 4.32Å; W107-R138 HydrophobicContact CD2-CB 4.33Å; W107-R138 HydrophobicContact CG-CB 4.17Å | ||
| 108 | Q | 96.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 17% | 0.168 | 17% | 0.173 | C | C | . | . | trans | -75 | 136.8 | 172.3 | -62.9 | -170.7 | -19.6 | 0 | 0 | 109.4 | H79 R103 D104 N106 H112 D137 H146 | H79-Q108 PolarHBondContact NE2-O 3.43Å; R103-Q108 WeakPolarHBondContact CA-O 3.08Å; D104-Q108 PolarHBondContact N-O 2.87Å; D104-Q108 WeakPolarHBondContact OD1-CB 3.25Å; D104-Q108 PolarHBondContact OD1-N 3.02Å; N106-Q108 HydrophobicContact CB-CG 4.09Å; N106-Q108 PolarHBondContact O-N 3.37Å; Q108-H112 HydrophobicContact CB-CB 3.98Å; Q108-H112 HydrophobicContact CG-CB 4.31Å; Q108-D137 HydrophobicContact CG-CB 4.01Å; Q108-H146 PolarHBondContact NE2-CE1 3.13Å | ||
| 109 | T | 95.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | trans | -94.5 | 165.9 | 171.3 | 65.9 | 0 | 0 | 0 | 0 | 110.1 | A102 R103 L111 H112 V113 V135 | A102-T109 WeakPolarHBondContact O-CA 3.26Å; R103-T109 HydrophobicContact CG-CG2 4.13Å; T109-L111 PolarHBondContact O-N 3.45Å; T109-L111 VanDerWaalsContact O-N 3.09Å; T109-H112 PolarHBondContact N-ND1 2.85Å; T109-H112 VanDerWaalsContact N-ND1 3.13Å; T109-H112 WeakPolarHBondContact O-CB 3.49Å; T109-H112 PolarHBondContact O-N 2.89Å; T109-H112 PolarHBondContact OG1-ND1 3.23Å; T109-V113 PolarHBondContact O-N 3.46Å; T109-V135 HydrophobicContact CG2-CG1 4.15Å | ||
| 110 | P | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -50.9 | -34 | 171.5 | -29.2 | 35.7 | 0 | 0 | 0 | 113.3 | L78 H79 V82 V100 A102 V113 A114 I126 | L78-P110 HydrophobicContact CD2-CB 4.26Å; L78-P110 HydrophobicContact CD2-CG 3.83Å; L78-P110 HydrophobicContact CG-CB 4.21Å; L78-P110 HydrophobicContact CG-CG 4.04Å; H79-P110 WeakPolarHBondContact NE2-CD 3.47Å; V82-P110 WeakPolarHBondContact CG1-O 3.21Å; V82-P110 HydrophobicContact CG2-CB 4.2Å; V100-P110 WeakPolarHBondContact O-CD 3.26Å; A102-P110 WeakPolarHBondContact O-CD 3.3Å; P110-V113 PolarHBondContact O-N 3.48Å; P110-A114 PolarHBondContact O-N 2.88Å; P110-I126 HydrophobicContact CB-CD1 4.18Å |
| 111 | L | 97 | Very high | 95.5 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -36.2 | 175.2 | -176.8 | 66 | 0 | 0 | 0 | 113.5 | T109 V113 A114 A115 A123 I127 L130 V133 A143 L159 | T109-L111 PolarHBondContact O-N 3.45Å; T109-L111 VanDerWaalsContact O-N 3.09Å; L111-V113 VanDerWaalsContact C-N 3.3Å; L111-V113 PolarHBondContact O-N 3Å; L111-A114 WeakPolarHBondContact O-CB 3.29Å; L111-A114 PolarHBondContact O-N 3.47Å; L111-A115 WeakPolarHBondContact O-CB 3.31Å; L111-A115 PolarHBondContact O-N 3.25Å; L111-A123 HydrophobicContact CD1-CB 4.03Å; L111-I127 HydrophobicContact CD1-CD1 4.16Å; L111-I127 HydrophobicContact CD1-CG1 3.8Å; L111-I127 HydrophobicContact CD2-CG1 4.37Å; L111-L130 HydrophobicContact CB-CD1 3.79Å; L111-L130 HydrophobicContact CD2-CD1 3.45Å; L111-L130 VanDerWaalsContact CD2-CD1 3.45Å; L111-L130 HydrophobicContact CG-CD1 4.09Å; L111-V133 HydrophobicContact CD2-CG1 4.11Å; L111-A143 HydrophobicContact CD2-CB 3.96Å; L111-A143 HydrophobicContact CG-CB 3.85Å; L111-L159 HydrophobicContact CD1-CD2 4.16Å; L111-L159 HydrophobicContact CD2-CD2 4.24Å; L111-L159 HydrophobicContact CG-CD2 4.47Å |
| 112 | H | 97 | Very high | 95.6 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 173.6 | -68.1 | 89.3 | 0 | 0 | 0 | 110.7 | Q108 T109 A115 A116 V135 R141 H146 | Q108-H112 HydrophobicContact CB-CB 3.98Å; Q108-H112 HydrophobicContact CG-CB 4.31Å; T109-H112 PolarHBondContact N-ND1 2.85Å; T109-H112 VanDerWaalsContact N-ND1 3.13Å; T109-H112 WeakPolarHBondContact O-CB 3.49Å; T109-H112 PolarHBondContact O-N 2.89Å; T109-H112 PolarHBondContact OG1-ND1 3.23Å; H112-A115 PolarHBondContact O-N 3.13Å; H112-A116 WeakPolarHBondContact O-CB 3.43Å; H112-A116 PolarHBondContact O-N 3.44Å; H112-V135 PolarHBondContact CE1-O 3.49Å; H112-V135 PolarHBondContact NE2-O 2.93Å; H112-V135 VanDerWaalsContact NE2-O 3.1Å; H112-R141 PolarHBondContact NE2-O 3.46Å; H112-R141 VanDerWaalsContact NE2-O 3.16Å; H112-H146 AromaticContact CD2-CD2 3.62Å; H112-H146 AromaticContact CD2-NE2 3.87Å |
| 113 | V | 95.7 | Very high | 95.6 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 9% | 0.085 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 111 | V82 A83 T109 P110 L111 A115 A116 N117 | V82-V113 HydrophobicContact CG1-CB 4.27Å; V82-V113 HydrophobicContact CG1-CG1 4.22Å; A83-V113 HydrophobicContact CB-CG1 3.77Å; T109-V113 PolarHBondContact O-N 3.46Å; P110-V113 PolarHBondContact O-N 3.48Å; L111-V113 VanDerWaalsContact C-N 3.3Å; L111-V113 PolarHBondContact O-N 3Å; V113-A115 VanDerWaalsContact C-N 3.31Å; V113-A115 PolarHBondContact O-N 3.36Å; V113-A116 PolarHBondContact O-N 3Å; V113-N117 WeakPolarHBondContact O-CB 3.34Å; V113-N117 PolarHBondContact O-N 2.99Å; V113-N117 PolarHBondContact O-ND2 2.83Å |
| 114 | A | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | V82 P110 L111 N117 N118 A119 A123 M155 | V82-A114 HydrophobicContact CG1-CB 3.47Å; V82-A114 VanDerWaalsContact CG1-CB 3.47Å; V82-A114 VanDerWaalsContact CG1-N 3.33Å; P110-A114 PolarHBondContact O-N 2.88Å; L111-A114 WeakPolarHBondContact O-CB 3.29Å; L111-A114 PolarHBondContact O-N 3.47Å; A114-N117 CarbonylContact O-C 3.49Å; A114-N117 PolarHBondContact O-N 2.96Å; A114-N118 PolarHBondContact O-N 3.35Å; A114-A119 HydrophobicContact CB-CB 4.17Å; A114-A119 PolarHBondContact O-N 3.49Å; A114-A123 HydrophobicContact CB-CB 4.12Å; A114-M155 WeakPolarHBondContact O-CE 3.19Å |
| 115 | A | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.1 | -39.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L111 H112 V113 N117 A143 H146 A147 H152 M155 L159 | L111-A115 WeakPolarHBondContact O-CB 3.31Å; L111-A115 PolarHBondContact O-N 3.25Å; H112-A115 PolarHBondContact O-N 3.13Å; V113-A115 VanDerWaalsContact C-N 3.31Å; V113-A115 PolarHBondContact O-N 3.36Å; A115-N117 VanDerWaalsContact C-N 3.33Å; A115-N117 PolarHBondContact O-N 2.97Å; A115-A143 HydrophobicContact CB-CB 3.91Å; A115-A143 VanDerWaalsContact CB-O 3.24Å; A115-A143 WeakPolarHBondContact CB-O 3.5Å; A115-H146 HydrophobicContact CB-CB 4.26Å; A115-A147 HydrophobicContact CB-CB 4.29Å; A115-H152 PolarHBondContact O-CD2 2.82Å; A115-H152 VanDerWaalsContact O-CD2 3.23Å; A115-M155 HydrophobicContact CB-CG 4.23Å; A115-L159 HydrophobicContact CB-CD1 4.25Å |
| 116 | A | 95.6 | Very high | 95.7 | Very high | 26 Ų | 26 | 34.2 Ų | 34.2 | 22% | 0.215 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.1 | -32.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H112 V113 H146 H152 | H112-A116 WeakPolarHBondContact O-CB 3.43Å; H112-A116 PolarHBondContact O-N 3.44Å; V113-A116 PolarHBondContact O-N 3Å; A116-H146 HydrophobicContact CB-CB 4.34Å; A116-H152 PolarHBondContact O-CD2 2.63Å; A116-H152 PolarHBondContact O-NE2 3.5Å |
| 117 | N | 94.1 | Very high | 95.7 | Very high | 53 Ų | 53 | 30.7 Ų | 30.7 | 28% | 0.283 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 7 | -176.5 | -69.6 | -77.7 | 0 | 0 | 0 | 114.2 | R85 V113 A114 A115 A119 | R85-N117 PolarHBondContact NE-O 2.56Å; R85-N117 PolarHBondContact NH2-O 2.78Å; V113-N117 WeakPolarHBondContact O-CB 3.34Å; V113-N117 PolarHBondContact O-N 2.99Å; V113-N117 PolarHBondContact O-ND2 2.83Å; A114-N117 CarbonylContact O-C 3.49Å; A114-N117 PolarHBondContact O-N 2.96Å; A115-N117 VanDerWaalsContact C-N 3.33Å; A115-N117 PolarHBondContact O-N 2.97Å; N117-A119 PolarHBondContact O-N 3.03Å |
| 118 | N | 95.3 | Very high | 95.6 | Very high | 44 Ų | 44 | 29.6 Ų | 29.6 | 24% | 0.235 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 36.7 | -174.2 | -157.6 | 24.5 | 0 | 0 | 0 | 114.3 | A114 L120 H152 | A114-N118 PolarHBondContact O-N 3.35Å; N118-L120 PolarHBondContact O-N 3.14Å; N118-H152 HydrophobicContact CB-CB 4.14Å |
| 119 | A | 95.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | trans | -82.7 | 66.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V82 R85 A114 N117 R121 C122 A123 | V82-A119 HydrophobicContact CG1-CB 4.36Å; R85-A119 HydrophobicContact CB-CB 4.21Å; R85-A119 HydrophobicContact CG-CB 4.04Å; A114-A119 HydrophobicContact CB-CB 4.17Å; A114-A119 PolarHBondContact O-N 3.49Å; N117-A119 PolarHBondContact O-N 3.03Å; A119-R121 PolarHBondContact O-N 2.92Å; A119-C122 HydrophobicContact CB-CB 3.95Å; A119-C122 PolarHBondContact O-N 2.65Å; A119-A123 PolarHBondContact O-N 2.91Å | ||
| 120 | L | 95.4 | Very high | 95.2 | Very high | 49 Ų | 49 | 33.1 Ų | 33.1 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -53.1 | -53.4 | -173.6 | -68.4 | 167.3 | 0 | 0 | 0 | 112.8 | N118 C122 A123 E124 E154 M155 L158 | N118-L120 PolarHBondContact O-N 3.14Å; L120-C122 VanDerWaalsContact C-N 3.32Å; L120-C122 PolarHBondContact O-N 2.65Å; L120-A123 WeakPolarHBondContact O-CA 3.3Å; L120-A123 WeakPolarHBondContact O-CB 3.39Å; L120-A123 PolarHBondContact O-N 2.86Å; L120-E124 PolarHBondContact O-N 3.38Å; L120-E154 HydrophobicContact CD1-CB 3.66Å; L120-E154 HydrophobicContact CD1-CG 4.43Å; L120-E154 HydrophobicContact CD2-CB 3.98Å; L120-E154 HydrophobicContact CG-CB 4.41Å; L120-M155 HydrophobicContact CD2-CB 3.98Å; L120-M155 HydrophobicContact CD2-CE 3.9Å; L120-M155 HydrophobicContact CD2-SD 4.28Å; L120-M155 HydrophobicContact CG-CE 4.3Å; L120-L158 HydrophobicContact CD2-CB 4.32Å; L120-L158 HydrophobicContact CD2-CD2 4.11Å |
| 121 | R | 95.7 | Very high | 94.8 | Very high | 148 Ų | 148 | 37.6 Ų | 37.6 | 56% | 0.558 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -57.6 | -42.8 | 179.7 | -72.7 | -169.1 | 73.8 | -163.5 | -6.4 | 112.1 | E87 A119 E124 V125 | E87-R121 HydrophobicContact CB-CB 4.15Å; E87-R121 HydrophobicContact CG-CB 4.35Å; E87-R121 IonicContact OE1-NH2 3.84Å; E87-R121 PolarHBondContact OE1-NH2 3.43Å; E87-R121 VanDerWaalsContact OE2-CB 3.28Å; E87-R121 WeakPolarHBondContact OE2-CB 3.3Å; E87-R121 IonicContact OE2-CZ 2.86Å; E87-R121 IonicContact OE2-NE 2.66Å; E87-R121 PolarHBondContact OE2-NE 3.17Å; E87-R121 IonicContact OE2-NH2 3.81Å; E87-R121 PolarHBondContact OE2-NH2 3.45Å; A119-R121 PolarHBondContact O-N 2.92Å; R121-E124 PolarHBondContact O-N 3.05Å; R121-V125 WeakPolarHBondContact O-CG2 3.29Å; R121-V125 PolarHBondContact O-N 3.41Å |
| 122 | C | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -41.8 | 174.5 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | V82 V90 A119 L120 V125 I126 | V82-C122 HydrophobicContact CG1-CB 4.45Å; V82-C122 HydrophobicContact CG2-CB 4.38Å; V90-C122 HydrophobicContact CG2-CB 4.22Å; A119-C122 HydrophobicContact CB-CB 3.95Å; A119-C122 PolarHBondContact O-N 2.65Å; L120-C122 VanDerWaalsContact C-N 3.32Å; L120-C122 PolarHBondContact O-N 2.65Å; C122-V125 PolarHBondContact O-N 3.21Å; C122-I126 WeakPolarHBondContact O-CB 3.23Å; C122-I126 WeakPolarHBondContact O-CD1 3.43Å; C122-I126 VanDerWaalsContact O-CG1 3.25Å; C122-I126 WeakPolarHBondContact O-CG1 3.37Å; C122-I126 PolarHBondContact O-N 3.27Å |
| 123 | A | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L111 A114 A119 L120 V125 I126 I127 M155 L158 | L111-A123 HydrophobicContact CD1-CB 4.03Å; A114-A123 HydrophobicContact CB-CB 4.12Å; A119-A123 PolarHBondContact O-N 2.91Å; L120-A123 WeakPolarHBondContact O-CA 3.3Å; L120-A123 WeakPolarHBondContact O-CB 3.39Å; L120-A123 PolarHBondContact O-N 2.86Å; A123-V125 PolarHBondContact O-N 3.39Å; A123-I126 PolarHBondContact O-N 3.41Å; A123-I127 HydrophobicContact CB-CD1 4.2Å; A123-I127 WeakPolarHBondContact O-CB 3.49Å; A123-I127 WeakPolarHBondContact O-CD1 3.31Å; A123-I127 WeakPolarHBondContact O-CG1 3.49Å; A123-I127 PolarHBondContact O-N 3.22Å; A123-M155 HydrophobicContact CB-CE 3.91Å; A123-M155 HydrophobicContact CB-SD 4.08Å; A123-L158 HydrophobicContact CB-CD2 3.82Å |
| 124 | E | 95.5 | Very high | 94.4 | Very high | 110 Ų | 110 | 42.9 Ų | 42.9 | 51% | 0.514 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60 | -34.2 | 174.9 | -74.2 | -179.9 | 168.7 | 0 | 0 | 113 | L120 R121 P128 L158 | L120-E124 PolarHBondContact O-N 3.38Å; R121-E124 PolarHBondContact O-N 3.05Å; E124-P128 WeakPolarHBondContact O-CD 3.44Å; E124-P128 WeakPolarHBondContact O-CG 3.33Å; E124-L158 HydrophobicContact CG-CD1 3.87Å; E124-L158 HydrophobicContact CG-CD2 3.87Å |
| 125 | V | 95.2 | Very high | 94.3 | Very high | 18 Ų | 18 | 44 Ų | 44 | 11% | 0.109 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -75.8 | -38.3 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | E87 V90 R91 I94 R121 C122 A123 | E87-V125 HydrophobicContact CG-CG2 3.96Å; V90-V125 HydrophobicContact CG1-CB 4.48Å; V90-V125 HydrophobicContact CG1-CG1 4.25Å; R91-V125 HydrophobicContact CG-CG1 4.12Å; R91-V125 HydrophobicContact CG-CG2 4.27Å; R91-V125 VanDerWaalsContact CZ-CG2 3.44Å; I94-V125 HydrophobicContact CD1-CG1 3.73Å; R121-V125 WeakPolarHBondContact O-CG2 3.29Å; R121-V125 PolarHBondContact O-N 3.41Å; C122-V125 PolarHBondContact O-N 3.21Å; A123-V125 PolarHBondContact O-N 3.39Å |
| 126 | I | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -80.3 | -42.2 | -173.6 | -68.9 | 165.2 | 0 | 0 | 0 | 112.1 | V82 V90 I94 V100 P110 C122 A123 L129 L130 | V82-I126 HydrophobicContact CG2-CD1 3.41Å; V82-I126 VanDerWaalsContact CG2-CD1 3.41Å; V90-I126 HydrophobicContact CG1-CD1 4.09Å; V90-I126 HydrophobicContact CG1-CG1 4.02Å; I94-I126 HydrophobicContact CD1-CG1 4.1Å; V100-I126 HydrophobicContact CB-CG2 4.25Å; V100-I126 HydrophobicContact CG1-CG2 4.43Å; P110-I126 HydrophobicContact CB-CD1 4.18Å; C122-I126 WeakPolarHBondContact O-CB 3.23Å; C122-I126 WeakPolarHBondContact O-CD1 3.43Å; C122-I126 VanDerWaalsContact O-CG1 3.25Å; C122-I126 WeakPolarHBondContact O-CG1 3.37Å; C122-I126 PolarHBondContact O-N 3.27Å; A123-I126 PolarHBondContact O-N 3.41Å; I126-L129 PolarHBondContact O-N 2.98Å; I126-L130 HydrophobicContact CG2-CD1 3.87Å; I126-L130 HydrophobicContact CG2-CD2 4.16Å; I126-L130 HydrophobicContact CG2-CG 3.83Å; I126-L130 PolarHBondContact O-N 3.2Å |
| 127 | I | 94.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -53.3 | -45.8 | -173.2 | -74.4 | 165.8 | 0 | 0 | 0 | 113.4 | L111 A123 L129 L130 V133 L158 L159 K162 | L111-I127 HydrophobicContact CD1-CD1 4.16Å; L111-I127 HydrophobicContact CD1-CG1 3.8Å; L111-I127 HydrophobicContact CD2-CG1 4.37Å; A123-I127 HydrophobicContact CB-CD1 4.2Å; A123-I127 WeakPolarHBondContact O-CB 3.49Å; A123-I127 WeakPolarHBondContact O-CD1 3.31Å; A123-I127 WeakPolarHBondContact O-CG1 3.49Å; A123-I127 PolarHBondContact O-N 3.22Å; I127-L129 PolarHBondContact O-N 3.12Å; I127-L129 VanDerWaalsContact O-N 3.15Å; I127-L130 PolarHBondContact O-N 2.8Å; I127-V133 HydrophobicContact CG2-CG2 3.92Å; I127-L158 HydrophobicContact CD1-CD2 4.32Å; I127-L158 HydrophobicContact CD1-CG 4.24Å; I127-L159 HydrophobicContact CD1-CD2 4.32Å; I127-K162 HydrophobicContact CD1-CB 4.42Å; I127-K162 HydrophobicContact CD1-CG 4.19Å; I127-K162 HydrophobicContact CG2-CB 3.91Å; I127-K162 HydrophobicContact CG2-CD 4.19Å; I127-K162 HydrophobicContact CG2-CG 3.98Å |
| 128 | P | 93.4 | Very high | 94.3 | Very high | 96 Ų | 96 | 50 Ų | 50 | 62% | 0.623 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -62.9 | -20.1 | 179.3 | -23.6 | 34.8 | 0 | 0 | 0 | 114.5 | E124 | E124-P128 WeakPolarHBondContact O-CD 3.44Å; E124-P128 WeakPolarHBondContact O-CG 3.33Å |
| 129 | L | 93.5 | Very high | 94.2 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -100.3 | -6.6 | -177 | -57.5 | 174.8 | 0 | 0 | 0 | 112.6 | I94 V100 I126 I127 | I94-L129 HydrophobicContact CD1-CD1 4.16Å; I94-L129 HydrophobicContact CG2-CD1 3.41Å; I94-L129 VanDerWaalsContact CG2-CD1 3.41Å; V100-L129 HydrophobicContact CG1-CB 4.42Å; V100-L129 HydrophobicContact CG2-CB 4.06Å; V100-L129 WeakPolarHBondContact CG2-O 3.41Å; I126-L129 PolarHBondContact O-N 2.98Å; I127-L129 PolarHBondContact O-N 3.12Å; I127-L129 VanDerWaalsContact O-N 3.15Å |
| 130 | L | 90.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | trans | -78 | 147 | 179.8 | -77 | 173.1 | 0 | 0 | 0 | 111.8 | V100 L111 I126 I127 S132 | V100-L130 HydrophobicContact CB-CD2 4.23Å; V100-L130 HydrophobicContact CG2-CD2 4.17Å; V100-L130 VanDerWaalsContact O-CD2 3.31Å; V100-L130 WeakPolarHBondContact O-CD2 3.29Å; L111-L130 HydrophobicContact CB-CD1 3.79Å; L111-L130 HydrophobicContact CD2-CD1 3.45Å; L111-L130 VanDerWaalsContact CD2-CD1 3.45Å; L111-L130 HydrophobicContact CG-CD1 4.09Å; I126-L130 HydrophobicContact CG2-CD1 3.87Å; I126-L130 HydrophobicContact CG2-CD2 4.16Å; I126-L130 HydrophobicContact CG2-CG 3.83Å; I126-L130 PolarHBondContact O-N 3.2Å; I127-L130 PolarHBondContact O-N 2.8Å; L130-S132 VanDerWaalsContact C-N 3.32Å | ||
| 131 | S | 88.3 | Confident | 94.2 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 66% | 0.664 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -64.7 | -37.1 | 170.3 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | N101 | N101-S131 PolarHBondContact OD1-N 3.28Å; N101-S131 PolarHBondContact OD1-OG 3.09Å |
| 132 | S | 92.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | trans | -160.5 | 141 | 176.4 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | L130 N134 V135 | L130-S132 VanDerWaalsContact C-N 3.32Å; S132-N134 VanDerWaalsContact C-N 3.26Å; S132-N134 PolarHBondContact OG-N 3.48Å; S132-N134 VanDerWaalsContact OG-N 3.14Å; S132-V135 WeakPolarHBondContact O-CG2 3.38Å | ||
| 133 | V | 94 | Very high | 94.4 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -20.9 | 172.5 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | L111 I127 V135 L159 A164 | L111-V133 HydrophobicContact CD2-CG1 4.11Å; I127-V133 HydrophobicContact CG2-CG2 3.92Å; V133-V135 PolarHBondContact O-N 3.38Å; V133-L159 HydrophobicContact CG1-CD2 4Å; V133-A164 HydrophobicContact CG1-CB 4.03Å |
| 134 | N | 95.1 | Very high | 94.4 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 17.1 | -172.5 | -66.5 | -50.8 | 0 | 0 | 0 | 113.9 | S132 G163 A164 N165 | S132-N134 VanDerWaalsContact C-N 3.26Å; S132-N134 PolarHBondContact OG-N 3.48Å; S132-N134 VanDerWaalsContact OG-N 3.14Å; N134-G163 PolarHBondContact ND2-O 3.19Å; N134-G163 VanDerWaalsContact ND2-O 3.17Å; N134-A164 WeakPolarHBondContact OD1-CA 3.28Å; N134-N165 PolarHBondContact OD1-N 3.48Å |
| 135 | V | 94.6 | Very high | 94.5 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | trans | -62.7 | 138.2 | 174 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | R103 T109 H112 S132 V133 | R103-V135 VanDerWaalsContact NH2-CG1 3.33Å; T109-V135 HydrophobicContact CG2-CG1 4.15Å; H112-V135 PolarHBondContact CE1-O 3.49Å; H112-V135 PolarHBondContact NE2-O 2.93Å; H112-V135 VanDerWaalsContact NE2-O 3.1Å; S132-V135 WeakPolarHBondContact O-CG2 3.38Å; V133-V135 PolarHBondContact O-N 3.38Å | ||
| 136 | S | 95.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 39 Ų | 39 | 34% | 0.336 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -103.2 | 146.4 | 178.7 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | R141 | S136-R141 WeakPolarHBondContact CA-O 3.31Å |
| 137 | D | 95.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | trans | -72.4 | -177.3 | 169 | 78.5 | 4.8 | 0 | 0 | 0 | 112.6 | Q108 G139 G140 R141 H146 | Q108-D137 HydrophobicContact CG-CB 4.01Å; D137-G139 PolarHBondContact O-N 3.38Å; D137-G139 VanDerWaalsContact O-N 3.14Å; D137-G139 VanDerWaalsContact OD1-CA 3.23Å; D137-G139 WeakPolarHBondContact OD1-CA 3.47Å; D137-G139 PolarHBondContact OD1-N 3.07Å; D137-G140 PolarHBondContact O-N 3.35Å; D137-G140 PolarHBondContact OD1-N 3.33Å; D137-G140 VanDerWaalsContact OD1-N 3.16Å; D137-R141 PolarHBondContact N-O 2.9Å; D137-R141 WeakPolarHBondContact OD1-CB 3.49Å; D137-R141 PolarHBondContact OD1-N 2.95Å; D137-R141 IonicContact OD1-NE 2.95Å; D137-R141 IonicContact OD2-CZ 3.51Å; D137-R141 VanDerWaalsContact OD2-CZ 3.32Å; D137-R141 IonicContact OD2-NE 3.27Å; D137-R141 PolarHBondContact OD2-NE 2.79Å; D137-R141 IonicContact OD2-NH2 3.26Å; D137-R141 PolarHBondContact OD2-NH2 3.24Å; D137-H146 IonicContact OD2-CE1 2.81Å; D137-H146 IonicContact OD2-NE2 2.65Å; D137-H146 PolarHBondContact OD2-NE2 2.9Å; D137-H146 VanDerWaalsContact OD2-NE2 3.11Å | ||
| 138 | R | 94.9 | Very high | 94.8 | Very high | 153 Ų | 153 | 38.4 Ų | 38.4 | 58% | 0.577 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.2 | 179.8 | -176.9 | 174.1 | 179.9 | 162.7 | 1 | 112.9 | N106 W107 K171 | N106-R138 WeakPolarHBondContact O-CB 3.44Å; N106-R138 PolarHBondContact O-N 3.27Å; W107-R138 HydrophobicContact CB-CB 4.32Å; W107-R138 HydrophobicContact CD2-CB 4.33Å; W107-R138 HydrophobicContact CG-CB 4.17Å; R138-K171 VanDerWaalsContact O-CE 3.23Å; R138-K171 WeakPolarHBondContact O-CE 3.4Å; R138-K171 PolarHBondContact O-NZ 3.44Å |
| 139 | G | 94 | Very high | 94.9 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | D137 R141 K171 | D137-G139 PolarHBondContact O-N 3.38Å; D137-G139 VanDerWaalsContact O-N 3.14Å; D137-G139 VanDerWaalsContact OD1-CA 3.23Å; D137-G139 WeakPolarHBondContact OD1-CA 3.47Å; D137-G139 PolarHBondContact OD1-N 3.07Å; G139-R141 VanDerWaalsContact C-N 3.32Å; G139-K171 WeakPolarHBondContact O-CB 3.4Å; G139-K171 WeakPolarHBondContact O-CG 3.37Å; G139-K171 PolarHBondContact O-N 3.4Å |
| 140 | G | 95.1 | Very high | 95 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 82.7 | 4.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D137 D170 | D137-G140 PolarHBondContact O-N 3.35Å; D137-G140 PolarHBondContact OD1-N 3.33Å; D137-G140 VanDerWaalsContact OD1-N 3.16Å; G140-D170 WeakPolarHBondContact O-CA 3.22Å |
| 141 | R | 96.5 | Very high | 95.3 | Very high | 72 Ų | 72 | 34.3 Ų | 34.3 | 27% | 0.272 | 20% | 0.198 | S | C | . | . | trans | -85.4 | 130.7 | -175.5 | -62.7 | 173.3 | -61.2 | -174.2 | 2.1 | 110.6 | H112 S136 D137 G139 H145 D170 | H112-R141 PolarHBondContact NE2-O 3.46Å; H112-R141 VanDerWaalsContact NE2-O 3.16Å; S136-R141 WeakPolarHBondContact CA-O 3.31Å; D137-R141 PolarHBondContact N-O 2.9Å; D137-R141 WeakPolarHBondContact OD1-CB 3.49Å; D137-R141 PolarHBondContact OD1-N 2.95Å; D137-R141 IonicContact OD1-NE 2.95Å; D137-R141 IonicContact OD2-CZ 3.51Å; D137-R141 VanDerWaalsContact OD2-CZ 3.32Å; D137-R141 IonicContact OD2-NE 3.27Å; D137-R141 PolarHBondContact OD2-NE 2.79Å; D137-R141 IonicContact OD2-NH2 3.26Å; D137-R141 PolarHBondContact OD2-NH2 3.24Å; G139-R141 VanDerWaalsContact C-N 3.32Å; R141-H145 HydrophobicContact CB-CB 3.87Å; R141-H145 HydrophobicContact CG-CB 4.32Å; R141-D170 HydrophobicContact CG-CB 3.75Å | ||
| 142 | T | 96.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.043 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -83.5 | 169.8 | 172.7 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | L144 H145 H146 A168 | T142-L144 PolarHBondContact O-N 3.11Å; T142-H145 PolarHBondContact N-ND1 3.37Å; T142-H145 VanDerWaalsContact N-ND1 3.14Å; T142-H145 WeakPolarHBondContact O-CB 3.25Å; T142-H145 PolarHBondContact O-N 2.85Å; T142-H145 PolarHBondContact OG1-ND1 3.09Å; T142-H146 PolarHBondContact O-CD2 3.27Å; T142-H146 PolarHBondContact O-N 2.74Å; T142-A168 HydrophobicContact CG2-CB 3.99Å |
| 143 | A | 96.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -52.4 | -36.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | L111 A115 H145 H146 A147 L159 | L111-A143 HydrophobicContact CD2-CB 3.96Å; L111-A143 HydrophobicContact CG-CB 3.85Å; A115-A143 HydrophobicContact CB-CB 3.91Å; A115-A143 VanDerWaalsContact CB-O 3.24Å; A115-A143 WeakPolarHBondContact CB-O 3.5Å; A143-H145 VanDerWaalsContact C-N 3.31Å; A143-H145 PolarHBondContact O-N 3.3Å; A143-H146 PolarHBondContact O-N 2.82Å; A143-A147 PolarHBondContact O-N 2.83Å; A143-L159 HydrophobicContact CB-CD1 4.11Å; A143-L159 HydrophobicContact CB-CD2 4.15Å |
| 144 | L | 97.3 | Very high | 96 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -37.6 | 176.4 | -174.6 | 65.2 | 0 | 0 | 0 | 112.4 | T142 A147 A148 V156 L159 L160 A164 A176 L192 | T142-L144 PolarHBondContact O-N 3.11Å; L144-A147 PolarHBondContact O-N 3.18Å; L144-A148 VanDerWaalsContact O-CB 3.26Å; L144-A148 WeakPolarHBondContact O-CB 3.37Å; L144-A148 PolarHBondContact O-N 3.3Å; L144-V156 HydrophobicContact CD1-CB 4.37Å; L144-V156 HydrophobicContact CD1-CG1 3.99Å; L144-V156 HydrophobicContact CD1-CG2 4.24Å; L144-L159 HydrophobicContact CD1-CB 4.36Å; L144-L159 HydrophobicContact CD1-CD1 4.49Å; L144-L160 HydrophobicContact CD1-CD2 4.25Å; L144-L160 HydrophobicContact CD1-CG 4.26Å; L144-L160 HydrophobicContact CD2-CD2 3.95Å; L144-A164 HydrophobicContact CB-CB 4.49Å; L144-A176 HydrophobicContact CD2-CB 4.21Å; L144-A176 HydrophobicContact CG-CB 3.99Å; L144-L192 HydrophobicContact CD1-CD2 4.43Å; L144-L192 HydrophobicContact CD2-CD2 4.47Å |
| 145 | H | 97.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.2 | -67.5 | 83.7 | 0 | 0 | 0 | 111.7 | R141 T142 A143 A148 L149 A168 G174 A176 W179 | R141-H145 HydrophobicContact CB-CB 3.87Å; R141-H145 HydrophobicContact CG-CB 4.32Å; T142-H145 PolarHBondContact N-ND1 3.37Å; T142-H145 VanDerWaalsContact N-ND1 3.14Å; T142-H145 WeakPolarHBondContact O-CB 3.25Å; T142-H145 PolarHBondContact O-N 2.85Å; T142-H145 PolarHBondContact OG1-ND1 3.09Å; A143-H145 VanDerWaalsContact C-N 3.31Å; A143-H145 PolarHBondContact O-N 3.3Å; H145-A148 PolarHBondContact O-N 2.8Å; H145-L149 VanDerWaalsContact O-CB 3.24Å; H145-L149 WeakPolarHBondContact O-CB 3.48Å; H145-L149 PolarHBondContact O-N 3Å; H145-A168 PolarHBondContact CE1-O 3.43Å; H145-A168 VanDerWaalsContact CE1-O 3.26Å; H145-A168 PolarHBondContact NE2-O 3.5Å; H145-G174 PolarHBondContact NE2-O 3.33Å; H145-G174 VanDerWaalsContact NE2-O 3.08Å; H145-A176 PolarHBondContact NE2-N 3.5Å; H145-W179 AromaticContact CD2-CD1 3.71Å; H145-W179 AromaticContact CD2-NE1 3.88Å |
| 146 | H | 96.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.6 | -40 | 178.1 | -73.5 | -86.3 | 0 | 0 | 0 | 111.9 | Q108 H112 A115 A116 D137 T142 A143 N150 | Q108-H146 PolarHBondContact NE2-CE1 3.13Å; H112-H146 AromaticContact CD2-CD2 3.62Å; H112-H146 AromaticContact CD2-NE2 3.87Å; A115-H146 HydrophobicContact CB-CB 4.26Å; A116-H146 HydrophobicContact CB-CB 4.34Å; D137-H146 IonicContact OD2-CE1 2.81Å; D137-H146 IonicContact OD2-NE2 2.65Å; D137-H146 PolarHBondContact OD2-NE2 2.9Å; D137-H146 VanDerWaalsContact OD2-NE2 3.11Å; T142-H146 PolarHBondContact O-CD2 3.27Å; T142-H146 PolarHBondContact O-N 2.74Å; A143-H146 PolarHBondContact O-N 2.82Å; H146-N150 PolarHBondContact O-N 2.85Å; H146-N150 PolarHBondContact O-ND2 2.97Å |
| 147 | A | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A115 A143 L144 N150 G151 H152 M155 V156 L159 | A115-A147 HydrophobicContact CB-CB 4.29Å; A143-A147 PolarHBondContact O-N 2.83Å; L144-A147 PolarHBondContact O-N 3.18Å; A147-N150 PolarHBondContact O-N 3.01Å; A147-G151 PolarHBondContact O-N 3.09Å; A147-G151 VanDerWaalsContact O-N 3.07Å; A147-H152 PolarHBondContact O-N 3.31Å; A147-M155 HydrophobicContact CB-CB 4.2Å; A147-M155 HydrophobicContact CB-CG 3.77Å; A147-V156 HydrophobicContact CB-CG2 3.79Å; A147-L159 HydrophobicContact CB-CD1 4Å |
| 148 | A | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -38.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L144 H145 N150 G151 A176 A180 H185 V188 L192 | L144-A148 VanDerWaalsContact O-CB 3.26Å; L144-A148 WeakPolarHBondContact O-CB 3.37Å; L144-A148 PolarHBondContact O-N 3.3Å; H145-A148 PolarHBondContact O-N 2.8Å; A148-N150 VanDerWaalsContact C-N 3.32Å; A148-N150 PolarHBondContact O-N 3.3Å; A148-G151 PolarHBondContact O-N 3.38Å; A148-A176 HydrophobicContact CB-CB 3.83Å; A148-A176 WeakPolarHBondContact CB-O 3.35Å; A148-A180 HydrophobicContact CB-CB 4.29Å; A148-H185 PolarHBondContact O-CD2 2.92Å; A148-H185 VanDerWaalsContact O-CD2 3.3Å; A148-V188 HydrophobicContact CB-CG1 4.07Å; A148-L192 HydrophobicContact CB-CD1 4.5Å |
| 149 | L | 96.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 24.5 Ų | 24.5 | 19% | 0.188 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 175.4 | -175 | 73 | 0 | 0 | 0 | 112.2 | H145 W179 M183 H185 | H145-L149 VanDerWaalsContact O-CB 3.24Å; H145-L149 WeakPolarHBondContact O-CB 3.48Å; H145-L149 PolarHBondContact O-N 3Å; L149-W179 HydrophobicContact CB-CB 4.5Å; L149-W179 HydrophobicContact CD1-CB 4.14Å; L149-W179 HydrophobicContact CD1-CD2 4.11Å; L149-W179 HydrophobicContact CD1-CE3 3.48Å; L149-W179 VanDerWaalsContact CD1-CE3 3.48Å; L149-W179 HydrophobicContact CD1-CG 4.42Å; L149-W179 HydrophobicContact CD1-CZ3 4.2Å; L149-M183 HydrophobicContact CD1-CE 3.53Å; L149-M183 HydrophobicContact CD1-CG 3.98Å; L149-M183 HydrophobicContact CG-CE 4.34Å; L149-M183 WeakPolarHBondContact O-CG 3.37Å; L149-H185 PolarHBondContact O-CD2 3.06Å; L149-H185 PolarHBondContact O-NE2 3.04Å |
| 150 | N | 95.3 | Very high | 96.4 | Very high | 71 Ų | 71 | 24.4 Ų | 24.4 | 38% | 0.38 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -93 | -3.1 | -176.8 | -68.5 | -79.6 | 0 | 0 | 0 | 114 | H146 A147 A148 H152 | H146-N150 PolarHBondContact O-N 2.85Å; H146-N150 PolarHBondContact O-ND2 2.97Å; A147-N150 PolarHBondContact O-N 3.01Å; A148-N150 VanDerWaalsContact C-N 3.32Å; A148-N150 PolarHBondContact O-N 3.3Å; N150-H152 VanDerWaalsContact CB-CD2 3.48Å; N150-H152 WeakPolarHBondContact CB-CD2 3.34Å; N150-H152 VanDerWaalsContact CB-NE2 3.27Å; N150-H152 WeakPolarHBondContact CB-NE2 3.22Å |
| 151 | G | 95.9 | Very high | 96.4 | Very high | 19 Ų | 19 | 27.9 Ų | 27.9 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 23.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A147 A148 T153 H185 | A147-G151 PolarHBondContact O-N 3.09Å; A147-G151 VanDerWaalsContact O-N 3.07Å; A148-G151 PolarHBondContact O-N 3.38Å; G151-T153 PolarHBondContact O-N 2.97Å; G151-T153 VanDerWaalsContact O-N 3.08Å; G151-H185 WeakPolarHBondContact CA-CD2 3.19Å; G151-H185 PolarHBondContact N-CD2 3.34Å; G151-H185 VanDerWaalsContact N-CD2 3.26Å; G151-H185 PolarHBondContact N-NE2 3.25Å |
| 152 | H | 96.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 29.7 Ų | 29.7 | 16% | 0.162 | 17% | 0.166 | C | C | . | . | trans | -85.9 | 81.5 | -174.5 | -62 | -38.5 | 0 | 0 | 0 | 111.7 | A115 A116 N118 A147 N150 E154 M155 V156 | A115-H152 PolarHBondContact O-CD2 2.82Å; A115-H152 VanDerWaalsContact O-CD2 3.23Å; A116-H152 PolarHBondContact O-CD2 2.63Å; A116-H152 PolarHBondContact O-NE2 3.5Å; N118-H152 HydrophobicContact CB-CB 4.14Å; A147-H152 PolarHBondContact O-N 3.31Å; N150-H152 VanDerWaalsContact CB-CD2 3.48Å; N150-H152 WeakPolarHBondContact CB-CD2 3.34Å; N150-H152 VanDerWaalsContact CB-NE2 3.27Å; N150-H152 WeakPolarHBondContact CB-NE2 3.22Å; H152-E154 PolarHBondContact O-N 3.15Å; H152-M155 HydrophobicContact CB-CB 3.84Å; H152-M155 WeakPolarHBondContact O-CB 3.5Å; H152-M155 PolarHBondContact O-N 2.95Å; H152-M155 VanDerWaalsContact O-N 3.1Å; H152-V156 WeakPolarHBondContact O-CG2 3.41Å; H152-V156 PolarHBondContact O-N 3.29Å | ||
| 153 | T | 96.3 | Very high | 96 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.2 | -49 | -175.5 | -48.3 | 0 | 0 | 0 | 0 | 113.5 | G151 M155 V156 N157 E187 | G151-T153 PolarHBondContact O-N 2.97Å; G151-T153 VanDerWaalsContact O-N 3.08Å; T153-M155 VanDerWaalsContact C-N 3.26Å; T153-M155 PolarHBondContact O-N 3.46Å; T153-V156 WeakPolarHBondContact O-CB 3.23Å; T153-V156 PolarHBondContact O-N 3.3Å; T153-N157 PolarHBondContact O-N 3.46Å; T153-N157 PolarHBondContact O-ND2 2.66Å; T153-E187 HydrophobicContact CG2-CB 4.37Å |
| 154 | E | 96.1 | Very high | 96 | Very high | 114 Ų | 114 | 32.2 Ų | 32.2 | 53% | 0.533 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.6 | -35.8 | 178.9 | -62.4 | -54.4 | 139.5 | 0 | 0 | 112.4 | L120 H152 N157 L158 | L120-E154 HydrophobicContact CD1-CB 3.66Å; L120-E154 HydrophobicContact CD1-CG 4.43Å; L120-E154 HydrophobicContact CD2-CB 3.98Å; L120-E154 HydrophobicContact CG-CB 4.41Å; H152-E154 PolarHBondContact O-N 3.15Å; E154-N157 WeakPolarHBondContact O-CB 3.13Å; E154-N157 PolarHBondContact O-N 3.06Å; E154-L158 PolarHBondContact O-N 2.92Å |
| 155 | M | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.9 | -39.1 | 178.2 | 179.6 | 62.3 | 69.8 | 0 | 0 | 111.2 | A114 A115 L120 A123 A147 H152 T153 N157 L158 L159 | A114-M155 WeakPolarHBondContact O-CE 3.19Å; A115-M155 HydrophobicContact CB-CG 4.23Å; L120-M155 HydrophobicContact CD2-CB 3.98Å; L120-M155 HydrophobicContact CD2-CE 3.9Å; L120-M155 HydrophobicContact CD2-SD 4.28Å; L120-M155 HydrophobicContact CG-CE 4.3Å; A123-M155 HydrophobicContact CB-CE 3.91Å; A123-M155 HydrophobicContact CB-SD 4.08Å; A147-M155 HydrophobicContact CB-CB 4.2Å; A147-M155 HydrophobicContact CB-CG 3.77Å; H152-M155 HydrophobicContact CB-CB 3.84Å; H152-M155 WeakPolarHBondContact O-CB 3.5Å; H152-M155 PolarHBondContact O-N 2.95Å; H152-M155 VanDerWaalsContact O-N 3.1Å; T153-M155 VanDerWaalsContact C-N 3.26Å; T153-M155 PolarHBondContact O-N 3.46Å; M155-N157 PolarHBondContact O-N 3.25Å; M155-L158 PolarHBondContact O-N 3.07Å; M155-L158 HydrophobicContact SD-CD2 4.3Å; M155-L159 HydrophobicContact CG-CD1 3.94Å; M155-L159 HydrophobicContact CG-CG 4.34Å; M155-L159 WeakPolarHBondContact O-CB 3.32Å; M155-L159 VanDerWaalsContact O-CG 3.22Å; M155-L159 WeakPolarHBondContact O-CG 3.3Å; M155-L159 PolarHBondContact O-N 3.44Å; M155-L159 HydrophobicContact SD-CD1 4.24Å; M155-L159 HydrophobicContact SD-CG 4.11Å |
| 156 | V | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.1 | -42.6 | 171.2 | 169.4 | 0 | 0 | 0 | 0 | 110.1 | L144 A147 H152 T153 L159 L160 V188 Q191 L192 | L144-V156 HydrophobicContact CD1-CB 4.37Å; L144-V156 HydrophobicContact CD1-CG1 3.99Å; L144-V156 HydrophobicContact CD1-CG2 4.24Å; A147-V156 HydrophobicContact CB-CG2 3.79Å; H152-V156 WeakPolarHBondContact O-CG2 3.41Å; H152-V156 PolarHBondContact O-N 3.29Å; T153-V156 WeakPolarHBondContact O-CB 3.23Å; T153-V156 PolarHBondContact O-N 3.3Å; V156-L159 PolarHBondContact O-N 3.42Å; V156-L160 HydrophobicContact CG1-CD1 3.76Å; V156-L160 HydrophobicContact CG1-CG 4.31Å; V156-L160 WeakPolarHBondContact O-CB 3.35Å; V156-L160 VanDerWaalsContact O-CG 3.25Å; V156-L160 WeakPolarHBondContact O-CG 3.43Å; V156-L160 PolarHBondContact O-N 3.39Å; V156-V188 HydrophobicContact CG2-CG1 4.05Å; V156-V188 HydrophobicContact CG2-CG2 4.41Å; V156-Q191 HydrophobicContact CG1-CG 4.33Å; V156-L192 HydrophobicContact CG1-CD2 3.99Å; V156-L192 HydrophobicContact CG1-CG 4.38Å |
| 157 | N | 96.1 | Very high | 95.7 | Very high | 41 Ų | 41 | 38 Ų | 38 | 22% | 0.219 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 179 | -66 | -20.2 | 0 | 0 | 0 | 113.2 | T153 E154 M155 L159 L160 A161 Q191 | T153-N157 PolarHBondContact O-N 3.46Å; T153-N157 PolarHBondContact O-ND2 2.66Å; E154-N157 WeakPolarHBondContact O-CB 3.13Å; E154-N157 PolarHBondContact O-N 3.06Å; M155-N157 PolarHBondContact O-N 3.25Å; N157-L159 VanDerWaalsContact C-N 3.32Å; N157-L159 PolarHBondContact O-N 2.92Å; N157-L160 PolarHBondContact O-N 3.12Å; N157-A161 WeakPolarHBondContact O-CB 3.4Å; N157-A161 PolarHBondContact O-N 3.46Å; N157-Q191 VanDerWaalsContact CG-NE2 3.25Å; N157-Q191 VanDerWaalsContact ND2-CD 3.26Å; N157-Q191 PolarHBondContact ND2-NE2 3.46Å; N157-Q191 PolarHBondContact ND2-OE1 3.34Å; N157-Q191 WeakPolarHBondContact OD1-CG 3.28Å; N157-Q191 PolarHBondContact OD1-NE2 3.31Å; N157-Q191 PolarHBondContact OD1-OE1 3.28Å |
| 158 | L | 96 | Very high | 95.6 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 175.7 | 178.9 | 64.1 | 0 | 0 | 0 | 110.9 | L120 A123 E124 I127 E154 M155 A161 K162 | L120-L158 HydrophobicContact CD2-CB 4.32Å; L120-L158 HydrophobicContact CD2-CD2 4.11Å; A123-L158 HydrophobicContact CB-CD2 3.82Å; E124-L158 HydrophobicContact CG-CD1 3.87Å; E124-L158 HydrophobicContact CG-CD2 3.87Å; I127-L158 HydrophobicContact CD1-CD2 4.32Å; I127-L158 HydrophobicContact CD1-CG 4.24Å; E154-L158 PolarHBondContact O-N 2.92Å; M155-L158 PolarHBondContact O-N 3.07Å; M155-L158 HydrophobicContact SD-CD2 4.3Å; L158-A161 PolarHBondContact O-N 3.25Å; L158-K162 HydrophobicContact CD1-CG 4.27Å; L158-K162 WeakPolarHBondContact O-CB 3.5Å; L158-K162 WeakPolarHBondContact O-CG 3.42Å; L158-K162 PolarHBondContact O-N 3.04Å; L158-K162 VanDerWaalsContact O-N 3.11Å |
| 159 | L | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -45.9 | -178.8 | -71.3 | 172 | 0 | 0 | 0 | 112 | L111 A115 I127 V133 A143 L144 A147 M155 V156 N157 K162 G163 A164 | L111-L159 HydrophobicContact CD1-CD2 4.16Å; L111-L159 HydrophobicContact CD2-CD2 4.24Å; L111-L159 HydrophobicContact CG-CD2 4.47Å; A115-L159 HydrophobicContact CB-CD1 4.25Å; I127-L159 HydrophobicContact CD1-CD2 4.32Å; V133-L159 HydrophobicContact CG1-CD2 4Å; A143-L159 HydrophobicContact CB-CD1 4.11Å; A143-L159 HydrophobicContact CB-CD2 4.15Å; L144-L159 HydrophobicContact CD1-CB 4.36Å; L144-L159 HydrophobicContact CD1-CD1 4.49Å; A147-L159 HydrophobicContact CB-CD1 4Å; M155-L159 HydrophobicContact CG-CD1 3.94Å; M155-L159 HydrophobicContact CG-CG 4.34Å; M155-L159 WeakPolarHBondContact O-CB 3.32Å; M155-L159 VanDerWaalsContact O-CG 3.22Å; M155-L159 WeakPolarHBondContact O-CG 3.3Å; M155-L159 PolarHBondContact O-N 3.44Å; M155-L159 HydrophobicContact SD-CD1 4.24Å; M155-L159 HydrophobicContact SD-CG 4.11Å; V156-L159 PolarHBondContact O-N 3.42Å; N157-L159 VanDerWaalsContact C-N 3.32Å; N157-L159 PolarHBondContact O-N 2.92Å; L159-K162 CarbonylContact O-C 3.52Å; L159-K162 PolarHBondContact O-N 3.24Å; L159-G163 PolarHBondContact O-N 3.01Å; L159-A164 HydrophobicContact CB-CB 3.96Å; L159-A164 WeakPolarHBondContact O-CB 3.36Å; L159-A164 PolarHBondContact O-N 3.45Å |
| 160 | L | 95.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 43.5 Ų | 43.5 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 177.8 | -68.8 | 174.4 | 0 | 0 | 0 | 111.6 | L144 V156 N157 K162 G163 I166 L192 Q195 | L144-L160 HydrophobicContact CD1-CD2 4.25Å; L144-L160 HydrophobicContact CD1-CG 4.26Å; L144-L160 HydrophobicContact CD2-CD2 3.95Å; V156-L160 HydrophobicContact CG1-CD1 3.76Å; V156-L160 HydrophobicContact CG1-CG 4.31Å; V156-L160 WeakPolarHBondContact O-CB 3.35Å; V156-L160 VanDerWaalsContact O-CG 3.25Å; V156-L160 WeakPolarHBondContact O-CG 3.43Å; V156-L160 PolarHBondContact O-N 3.39Å; N157-L160 PolarHBondContact O-N 3.12Å; L160-K162 PolarHBondContact O-N 3.31Å; L160-G163 PolarHBondContact O-N 3Å; L160-I166 HydrophobicContact CD1-CD1 4.32Å; L160-I166 HydrophobicContact CD2-CB 3.86Å; L160-I166 HydrophobicContact CD2-CD1 4.04Å; L160-I166 HydrophobicContact CD2-CG1 3.93Å; L160-L192 HydrophobicContact CD1-CD2 4.27Å; L160-Q195 HydrophobicContact CD1-CB 4.14Å; L160-Q195 HydrophobicContact CD1-CG 4.09Å |
| 161 | A | 95.1 | Very high | 95.4 | Very high | 85 Ų | 85 | 46.7 Ų | 46.7 | 70% | 0.702 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.4 | -23.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N157 L158 | N157-A161 WeakPolarHBondContact O-CB 3.4Å; N157-A161 PolarHBondContact O-N 3.46Å; L158-A161 PolarHBondContact O-N 3.25Å |
| 162 | K | 94.3 | Very high | 95.2 | Very high | 110 Ų | 110 | 52.3 Ų | 52.3 | 48% | 0.478 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 16.4 | 177.4 | -62.5 | -66.2 | -177.7 | -176 | 0 | 113.6 | I127 L158 L159 L160 | I127-K162 HydrophobicContact CD1-CB 4.42Å; I127-K162 HydrophobicContact CD1-CG 4.19Å; I127-K162 HydrophobicContact CG2-CB 3.91Å; I127-K162 HydrophobicContact CG2-CD 4.19Å; I127-K162 HydrophobicContact CG2-CG 3.98Å; L158-K162 HydrophobicContact CD1-CG 4.27Å; L158-K162 WeakPolarHBondContact O-CB 3.5Å; L158-K162 WeakPolarHBondContact O-CG 3.42Å; L158-K162 PolarHBondContact O-N 3.04Å; L158-K162 VanDerWaalsContact O-N 3.11Å; L159-K162 CarbonylContact O-C 3.52Å; L159-K162 PolarHBondContact O-N 3.24Å; L160-K162 PolarHBondContact O-N 3.31Å |
| 163 | G | 92 | Very high | 95.1 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 23.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115 | N134 L159 L160 N165 | N134-G163 PolarHBondContact ND2-O 3.19Å; N134-G163 VanDerWaalsContact ND2-O 3.17Å; L159-G163 PolarHBondContact O-N 3.01Å; L160-G163 PolarHBondContact O-N 3Å; G163-N165 PolarHBondContact O-N 3.08Å |
| 164 | A | 95.5 | Very high | 95 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | trans | -62.9 | 132.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V133 N134 L144 L159 I166 | V133-A164 HydrophobicContact CG1-CB 4.03Å; N134-A164 WeakPolarHBondContact OD1-CA 3.28Å; L144-A164 HydrophobicContact CB-CB 4.49Å; L159-A164 HydrophobicContact CB-CB 3.96Å; L159-A164 WeakPolarHBondContact O-CB 3.36Å; L159-A164 PolarHBondContact O-N 3.45Å; A164-I166 PolarHBondContact O-N 3.1Å; A164-I166 VanDerWaalsContact O-N 3.16Å | ||
| 165 | N | 95.3 | Very high | 95 | Very high | 81 Ų | 81 | 48.7 Ų | 48.7 | 43% | 0.433 | 26% | 0.26 | S | S | . | . | trans | -70.5 | 111.2 | 176.4 | 178.2 | 4.3 | 0 | 0 | 0 | 109.7 | N134 G163 N167 A168 | N134-N165 PolarHBondContact OD1-N 3.48Å; G163-N165 PolarHBondContact O-N 3.08Å; N165-N167 VanDerWaalsContact C-N 3.26Å; N165-N167 PolarHBondContact O-N 2.86Å; N165-N167 PolarHBondContact OD1-N 2.94Å; N165-A168 HydrophobicContact CB-CB 4.18Å; N165-A168 WeakPolarHBondContact O-CB 3.07Å; N165-A168 PolarHBondContact O-N 3.25Å; N165-A168 PolarHBondContact OD1-N 3.17Å | ||
| 166 | I | 95.4 | Very high | 95 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -31.8 | -178 | -163.5 | 163.4 | 0 | 0 | 0 | 113.4 | L160 A164 L192 Q195 A197 | L160-I166 HydrophobicContact CD1-CD1 4.32Å; L160-I166 HydrophobicContact CD2-CB 3.86Å; L160-I166 HydrophobicContact CD2-CD1 4.04Å; L160-I166 HydrophobicContact CD2-CG1 3.93Å; A164-I166 PolarHBondContact O-N 3.1Å; A164-I166 VanDerWaalsContact O-N 3.16Å; I166-L192 HydrophobicContact CD1-CD2 4.24Å; I166-L192 VanDerWaalsContact CD1-O 3.28Å; I166-L192 WeakPolarHBondContact CD1-O 3.47Å; I166-L192 HydrophobicContact CG1-CD2 3.97Å; I166-Q195 HydrophobicContact CD1-CB 3.7Å; I166-Q195 WeakPolarHBondContact CD1-O 3.34Å; I166-A197 HydrophobicContact CD1-CB 3.87Å; I166-A197 HydrophobicContact CG1-CB 3.91Å |
| 167 | N | 95.1 | Very high | 95 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 21.8 | -179.2 | -67.8 | -41.4 | 0 | 0 | 0 | 112.3 | N165 E198 | N165-N167 VanDerWaalsContact C-N 3.26Å; N165-N167 PolarHBondContact O-N 2.86Å; N165-N167 PolarHBondContact OD1-N 2.94Å; N167-E198 PolarHBondContact ND2-OE1 3Å; N167-E198 PolarHBondContact OD1-N 3.36Å |
| 168 | A | 94.1 | Very high | 95 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | trans | -58.2 | 143.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T142 H145 N165 | T142-A168 HydrophobicContact CG2-CB 3.99Å; H145-A168 PolarHBondContact CE1-O 3.43Å; H145-A168 VanDerWaalsContact CE1-O 3.26Å; H145-A168 PolarHBondContact NE2-O 3.5Å; N165-A168 HydrophobicContact CB-CB 4.18Å; N165-A168 WeakPolarHBondContact O-CB 3.07Å; N165-A168 PolarHBondContact O-N 3.25Å; N165-A168 PolarHBondContact OD1-N 3.17Å | ||
| 169 | F | 93.8 | Very high | 95 | Very high | 135 Ų | 135 | 49.2 Ų | 49.2 | 59% | 0.592 | 26% | 0.259 | S | S | * | . | B | Isolated β-bridge | trans | -120.2 | 143.9 | -178 | 60.4 | -95.3 | 0 | 0 | 0 | 110.7 | R175 | F169-R175 HydrophobicContact CB-CG 4.49Å |
| 170 | D | 94.8 | Very high | 95 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | trans | -86.4 | -174.6 | 173.1 | 71.6 | 20.1 | 0 | 0 | 0 | 112.2 | G140 R141 K172 D173 G174 W179 | G140-D170 WeakPolarHBondContact O-CA 3.22Å; R141-D170 HydrophobicContact CG-CB 3.75Å; D170-K172 PolarHBondContact O-N 3.43Å; D170-K172 VanDerWaalsContact O-N 3.11Å; D170-K172 VanDerWaalsContact OD1-CA 3.31Å; D170-K172 WeakPolarHBondContact OD1-CA 3.42Å; D170-K172 WeakPolarHBondContact OD1-CB 3.39Å; D170-K172 PolarHBondContact OD1-N 3.22Å; D170-D173 WeakPolarHBondContact O-CA 3.36Å; D170-D173 PolarHBondContact O-N 3.42Å; D170-D173 PolarHBondContact OD1-N 3.3Å; D170-G174 VanDerWaalsContact CG-O 3.29Å; D170-G174 PolarHBondContact N-O 2.88Å; D170-G174 WeakPolarHBondContact OD1-CA 3.36Å; D170-G174 PolarHBondContact OD1-N 3.3Å; D170-W179 VanDerWaalsContact OD2-CZ2 3.25Å; D170-W179 WeakPolarHBondContact OD2-CZ2 3.34Å; D170-W179 PolarHBondContact OD2-NE1 3.1Å; D170-W179 VanDerWaalsContact OD2-NE1 3.07Å | ||
| 171 | K | 94.8 | Very high | 95.1 | Very high | 137 Ų | 137 | 47.9 Ų | 47.9 | 60% | 0.596 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.6 | 179.2 | -77.1 | -178.2 | 172.7 | 176.2 | 0 | 115 | R138 G139 | R138-K171 VanDerWaalsContact O-CE 3.23Å; R138-K171 WeakPolarHBondContact O-CE 3.4Å; R138-K171 PolarHBondContact O-NZ 3.44Å; G139-K171 WeakPolarHBondContact O-CB 3.4Å; G139-K171 WeakPolarHBondContact O-CG 3.37Å; G139-K171 PolarHBondContact O-N 3.4Å |
| 172 | K | 93.3 | Very high | 95.2 | Very high | 137 Ų | 137 | 47.8 Ų | 47.8 | 60% | 0.596 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 11.7 | 173.8 | -62.9 | 178.9 | 177.4 | 179.1 | 0 | 111.2 | D170 G174 D203 K204 | D170-K172 PolarHBondContact O-N 3.43Å; D170-K172 VanDerWaalsContact O-N 3.11Å; D170-K172 VanDerWaalsContact OD1-CA 3.31Å; D170-K172 WeakPolarHBondContact OD1-CA 3.42Å; D170-K172 WeakPolarHBondContact OD1-CB 3.39Å; D170-K172 PolarHBondContact OD1-N 3.22Å; K172-G174 PolarHBondContact O-N 3.28Å; K172-G174 VanDerWaalsContact O-N 3.15Å; K172-D203 WeakPolarHBondContact O-CB 3.45Å; K172-K204 VanDerWaalsContact O-CB 3.25Å; K172-K204 WeakPolarHBondContact O-CB 3.27Å; K172-K204 PolarHBondContact O-N 3.03Å |
| 173 | D | 94.6 | Very high | 95.3 | Very high | 62 Ų | 62 | 46.3 Ų | 46.3 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | trans | 55.8 | 19.6 | -168.5 | -51.1 | -37 | 0 | 0 | 0 | 113.3 | D170 K204 | D170-D173 WeakPolarHBondContact O-CA 3.36Å; D170-D173 PolarHBondContact O-N 3.42Å; D170-D173 PolarHBondContact OD1-N 3.3Å; D173-K204 HydrophobicContact CB-CB 4.33Å; D173-K204 WeakPolarHBondContact OD2-CB 3.24Å | ||
| 174 | G | 94.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | trans | -76.6 | 127.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | H145 D170 K172 | H145-G174 PolarHBondContact NE2-O 3.33Å; H145-G174 VanDerWaalsContact NE2-O 3.08Å; D170-G174 VanDerWaalsContact CG-O 3.29Å; D170-G174 PolarHBondContact N-O 2.88Å; D170-G174 WeakPolarHBondContact OD1-CA 3.36Å; D170-G174 PolarHBondContact OD1-N 3.3Å; K172-G174 PolarHBondContact O-N 3.28Å; K172-G174 VanDerWaalsContact O-N 3.15Å | ||
| 175 | R | 96 | Very high | 95.6 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -95.5 | 162.5 | 176.7 | -56.4 | -175.3 | -173.8 | 170.9 | 0.6 | 111.6 | F169 L177 H178 W179 E198 | F169-R175 HydrophobicContact CB-CG 4.49Å; R175-L177 PolarHBondContact O-N 2.99Å; R175-L177 VanDerWaalsContact O-N 3.07Å; R175-H178 PolarHBondContact N-ND1 2.93Å; R175-H178 WeakPolarHBondContact O-CB 3.29Å; R175-H178 PolarHBondContact O-N 3.01Å; R175-W179 VanDerWaalsContact O-CD1 3.29Å; R175-W179 PolarHBondContact O-N 2.96Å; R175-E198 IonicContact CZ-OE2 3.08Å; R175-E198 VanDerWaalsContact CZ-OE2 3.27Å; R175-E198 VanDerWaalsContact NH1-CB 3.27Å; R175-E198 IonicContact NH1-OE1 2.96Å; R175-E198 IonicContact NH1-OE2 3.28Å; R175-E198 PolarHBondContact NH1-OE2 3.02Å; R175-E198 IonicContact NH2-OE2 2.92Å; R175-E198 PolarHBondContact NH2-OE2 3.32Å |
| 176 | A | 95.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -49.9 | -37.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L144 H145 A148 H178 W179 A180 L192 | L144-A176 HydrophobicContact CD2-CB 4.21Å; L144-A176 HydrophobicContact CG-CB 3.99Å; H145-A176 PolarHBondContact NE2-N 3.5Å; A148-A176 HydrophobicContact CB-CB 3.83Å; A148-A176 WeakPolarHBondContact CB-O 3.35Å; A176-H178 PolarHBondContact O-N 3.5Å; A176-W179 PolarHBondContact O-N 2.93Å; A176-A180 PolarHBondContact O-N 3.45Å; A176-L192 HydrophobicContact CB-CD1 4.2Å |
| 177 | L | 96.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 176.6 | -171.9 | 62 | 0 | 0 | 0 | 113.3 | R175 A181 V189 L192 V193 A197 P209 | R175-L177 PolarHBondContact O-N 2.99Å; R175-L177 VanDerWaalsContact O-N 3.07Å; L177-A181 WeakPolarHBondContact O-CB 3.42Å; L177-A181 PolarHBondContact O-N 3.08Å; L177-V189 HydrophobicContact CD1-CB 4.33Å; L177-V189 HydrophobicContact CD1-CG1 3.93Å; L177-V189 HydrophobicContact CD1-CG2 4.27Å; L177-L192 HydrophobicContact CB-CD1 4.39Å; L177-L192 HydrophobicContact CD1-CB 4.24Å; L177-L192 HydrophobicContact CD1-CD1 4.28Å; L177-V193 HydrophobicContact CD1-CG2 4.19Å; L177-V193 HydrophobicContact CD2-CG2 4.49Å; L177-A197 HydrophobicContact CD2-CB 4.32Å; L177-P209 HydrophobicContact CB-CG 4.49Å; L177-P209 HydrophobicContact CD2-CB 4.29Å; L177-P209 HydrophobicContact CD2-CG 3.8Å; L177-P209 HydrophobicContact CG-CB 4.09Å; L177-P209 HydrophobicContact CG-CG 3.9Å |
| 178 | H | 96.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 176.4 | -70.7 | 92.3 | 0 | 0 | 0 | 111.4 | R175 A176 A181 F182 C201 Y207 | R175-H178 PolarHBondContact N-ND1 2.93Å; R175-H178 WeakPolarHBondContact O-CB 3.29Å; R175-H178 PolarHBondContact O-N 3.01Å; A176-H178 PolarHBondContact O-N 3.5Å; H178-A181 PolarHBondContact O-N 2.97Å; H178-F182 WeakPolarHBondContact O-CB 3.46Å; H178-F182 PolarHBondContact O-N 2.96Å; H178-C201 PolarHBondContact CE1-SG 3.5Å; H178-Y207 PolarHBondContact NE2-O 2.88Å |
| 179 | W | 95.6 | Very high | 96 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 22% | 0.22 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.3 | -42.6 | -179.5 | -65 | 103.3 | 0 | 0 | 0 | 112.1 | H145 L149 D170 R175 A176 A181 F182 M183 | H145-W179 AromaticContact CD2-CD1 3.71Å; H145-W179 AromaticContact CD2-NE1 3.88Å; L149-W179 HydrophobicContact CB-CB 4.5Å; L149-W179 HydrophobicContact CD1-CB 4.14Å; L149-W179 HydrophobicContact CD1-CD2 4.11Å; L149-W179 HydrophobicContact CD1-CE3 3.48Å; L149-W179 VanDerWaalsContact CD1-CE3 3.48Å; L149-W179 HydrophobicContact CD1-CG 4.42Å; L149-W179 HydrophobicContact CD1-CZ3 4.2Å; D170-W179 VanDerWaalsContact OD2-CZ2 3.25Å; D170-W179 WeakPolarHBondContact OD2-CZ2 3.34Å; D170-W179 PolarHBondContact OD2-NE1 3.1Å; D170-W179 VanDerWaalsContact OD2-NE1 3.07Å; R175-W179 VanDerWaalsContact O-CD1 3.29Å; R175-W179 PolarHBondContact O-N 2.96Å; A176-W179 PolarHBondContact O-N 2.93Å; W179-A181 VanDerWaalsContact C-N 3.33Å; W179-A181 PolarHBondContact O-N 3.18Å; W179-F182 PolarHBondContact O-N 3.47Å; W179-M183 WeakPolarHBondContact O-CG 3.49Å; W179-M183 PolarHBondContact O-N 3.48Å |
| 180 | A | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -42.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A148 A176 M183 G184 H185 V188 V189 L192 | A148-A180 HydrophobicContact CB-CB 4.29Å; A176-A180 PolarHBondContact O-N 3.45Å; A180-M183 PolarHBondContact O-N 2.81Å; A180-G184 PolarHBondContact O-N 3.12Å; A180-H185 PolarHBondContact O-N 3.12Å; A180-V188 HydrophobicContact CB-CB 4.26Å; A180-V188 HydrophobicContact CB-CG1 3.73Å; A180-V189 HydrophobicContact CB-CG2 3.82Å; A180-L192 HydrophobicContact CB-CD1 4.37Å |
| 181 | A | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.4 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L177 H178 W179 M183 G184 P209 A213 V221 | L177-A181 WeakPolarHBondContact O-CB 3.42Å; L177-A181 PolarHBondContact O-N 3.08Å; H178-A181 PolarHBondContact O-N 2.97Å; W179-A181 VanDerWaalsContact C-N 3.33Å; W179-A181 PolarHBondContact O-N 3.18Å; A181-M183 PolarHBondContact O-N 3.13Å; A181-G184 PolarHBondContact O-N 3.44Å; A181-P209 HydrophobicContact CB-CB 4.13Å; A181-P209 WeakPolarHBondContact CB-O 3.42Å; A181-A213 HydrophobicContact CB-CB 4.24Å; A181-A213 WeakPolarHBondContact O-CA 3.34Å; A181-V221 HydrophobicContact CB-CG1 4.02Å |
| 182 | F | 96.8 | Very high | 96.2 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 36% | 0.36 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.9 | -174.7 | -95.9 | 0 | 0 | 0 | 112.3 | H178 W179 A212 S216 | H178-F182 WeakPolarHBondContact O-CB 3.46Å; H178-F182 PolarHBondContact O-N 2.96Å; W179-F182 PolarHBondContact O-N 3.47Å; F182-A212 HydrophobicContact CB-CB 4.21Å; F182-S216 WeakPolarHBondContact O-CB 3.41Å; F182-S216 PolarHBondContact O-OG 3.38Å |
| 183 | M | 96.9 | Very high | 96.3 | Very high | 80 Ų | 80 | 34.5 Ų | 34.5 | 39% | 0.394 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -82.3 | -11.2 | -179.3 | -66.4 | -61.9 | -177.4 | 0 | 0 | 114 | L149 W179 A180 A181 H185 Q218 | L149-M183 HydrophobicContact CD1-CE 3.53Å; L149-M183 HydrophobicContact CD1-CG 3.98Å; L149-M183 HydrophobicContact CG-CE 4.34Å; L149-M183 WeakPolarHBondContact O-CG 3.37Å; W179-M183 WeakPolarHBondContact O-CG 3.49Å; W179-M183 PolarHBondContact O-N 3.48Å; A180-M183 PolarHBondContact O-N 2.81Å; A181-M183 PolarHBondContact O-N 3.13Å; M183-H185 VanDerWaalsContact CB-CD2 3.47Å; M183-H185 WeakPolarHBondContact CB-CD2 3.38Å; M183-H185 WeakPolarHBondContact CB-NE2 3.46Å; M183-Q218 PolarHBondContact O-NE2 3.44Å |
| 184 | G | 96.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 17.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A180 A181 L186 | A180-G184 PolarHBondContact O-N 3.12Å; A181-G184 PolarHBondContact O-N 3.44Å; G184-L186 VanDerWaalsContact C-N 3.31Å; G184-L186 PolarHBondContact O-N 3.47Å |
| 185 | H | 97.2 | Very high | 96.2 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 26% | 0.255 | 20% | 0.197 | S | C | . | . | trans | -79.7 | 76.7 | -176 | -62.1 | -47 | 0 | 0 | 0 | 111.4 | A148 L149 G151 A180 M183 E187 V188 V189 | A148-H185 PolarHBondContact O-CD2 2.92Å; A148-H185 VanDerWaalsContact O-CD2 3.3Å; L149-H185 PolarHBondContact O-CD2 3.06Å; L149-H185 PolarHBondContact O-NE2 3.04Å; G151-H185 WeakPolarHBondContact CA-CD2 3.19Å; G151-H185 PolarHBondContact N-CD2 3.34Å; G151-H185 VanDerWaalsContact N-CD2 3.26Å; G151-H185 PolarHBondContact N-NE2 3.25Å; A180-H185 PolarHBondContact O-N 3.12Å; M183-H185 VanDerWaalsContact CB-CD2 3.47Å; M183-H185 WeakPolarHBondContact CB-CD2 3.38Å; M183-H185 WeakPolarHBondContact CB-NE2 3.46Å; H185-E187 VanDerWaalsContact C-N 3.32Å; H185-E187 PolarHBondContact O-N 2.7Å; H185-V188 HydrophobicContact CB-CB 4.05Å; H185-V188 HydrophobicContact CB-CG2 4.17Å; H185-V188 PolarHBondContact O-N 3.37Å; H185-V188 VanDerWaalsContact O-N 3.11Å; H185-V189 WeakPolarHBondContact O-CG2 3.36Å; H185-V189 PolarHBondContact O-N 3Å | ||
| 186 | L | 96.7 | Very high | 96 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.5 | -42.7 | -173.8 | 179 | 62.3 | 0 | 0 | 0 | 113.8 | G184 V188 V189 R190 V221 H224 | G184-L186 VanDerWaalsContact C-N 3.31Å; G184-L186 PolarHBondContact O-N 3.47Å; L186-V188 VanDerWaalsContact C-N 3.34Å; L186-V188 PolarHBondContact O-N 3.04Å; L186-V189 WeakPolarHBondContact O-CB 3.18Å; L186-V189 PolarHBondContact O-N 3.01Å; L186-R190 HydrophobicContact CD1-CG 4.36Å; L186-R190 WeakPolarHBondContact O-CG 3.36Å; L186-R190 PolarHBondContact O-N 3.08Å; L186-V221 HydrophobicContact CB-CG2 4.3Å; L186-V221 HydrophobicContact CD1-CG2 4.4Å; L186-H224 HydrophobicContact CD1-CB 3.6Å |
| 187 | E | 97.2 | Very high | 95.9 | Very high | 99 Ų | 99 | 41.5 Ų | 41.5 | 46% | 0.463 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65 | -39.6 | -179.9 | -61.8 | -49.6 | 111.5 | 0 | 0 | 111.7 | T153 H185 R190 Q191 | T153-E187 HydrophobicContact CG2-CB 4.37Å; H185-E187 VanDerWaalsContact C-N 3.32Å; H185-E187 PolarHBondContact O-N 2.7Å; E187-R190 PolarHBondContact O-N 3.32Å; E187-R190 IonicContact OE1-CZ 3.18Å; E187-R190 IonicContact OE1-NH1 3.74Å; E187-R190 PolarHBondContact OE1-NH1 3.48Å; E187-R190 IonicContact OE2-NH1 2.83Å; E187-Q191 WeakPolarHBondContact O-CB 3.43Å; E187-Q191 PolarHBondContact O-N 3.48Å |
| 188 | V | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 173.8 | 173.1 | 0 | 0 | 0 | 0 | 111 | A148 V156 A180 H185 L186 Q191 L192 | A148-V188 HydrophobicContact CB-CG1 4.07Å; V156-V188 HydrophobicContact CG2-CG1 4.05Å; V156-V188 HydrophobicContact CG2-CG2 4.41Å; A180-V188 HydrophobicContact CB-CB 4.26Å; A180-V188 HydrophobicContact CB-CG1 3.73Å; H185-V188 HydrophobicContact CB-CB 4.05Å; H185-V188 HydrophobicContact CB-CG2 4.17Å; H185-V188 PolarHBondContact O-N 3.37Å; H185-V188 VanDerWaalsContact O-N 3.11Å; L186-V188 VanDerWaalsContact C-N 3.34Å; L186-V188 PolarHBondContact O-N 3.04Å; V188-Q191 WeakPolarHBondContact O-CB 3.36Å; V188-Q191 PolarHBondContact O-N 3.2Å; V188-L192 HydrophobicContact CG1-CD1 3.72Å; V188-L192 HydrophobicContact CG1-CG 4.14Å; V188-L192 WeakPolarHBondContact O-CB 3.24Å; V188-L192 VanDerWaalsContact O-CG 3.26Å; V188-L192 WeakPolarHBondContact O-CG 3.46Å; V188-L192 PolarHBondContact O-N 3.35Å |
| 189 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 175.5 | 172 | 0 | 0 | 0 | 0 | 110.3 | L177 A180 H185 L186 Q191 L192 V193 V221 L225 | L177-V189 HydrophobicContact CD1-CB 4.33Å; L177-V189 HydrophobicContact CD1-CG1 3.93Å; L177-V189 HydrophobicContact CD1-CG2 4.27Å; A180-V189 HydrophobicContact CB-CG2 3.82Å; H185-V189 WeakPolarHBondContact O-CG2 3.36Å; H185-V189 PolarHBondContact O-N 3Å; L186-V189 WeakPolarHBondContact O-CB 3.18Å; L186-V189 PolarHBondContact O-N 3.01Å; V189-Q191 VanDerWaalsContact C-N 3.3Å; V189-Q191 PolarHBondContact O-N 3.16Å; V189-L192 PolarHBondContact O-N 3.21Å; V189-V193 HydrophobicContact CG1-CG2 4.39Å; V189-V193 WeakPolarHBondContact O-CB 3.31Å; V189-V193 VanDerWaalsContact O-CG2 3.25Å; V189-V193 WeakPolarHBondContact O-CG2 3.32Å; V189-V193 PolarHBondContact O-N 3.23Å; V189-V221 HydrophobicContact CG1-CG1 4.38Å; V189-V221 HydrophobicContact CG2-CG1 4.13Å; V189-V221 HydrophobicContact CG2-CG2 4.39Å; V189-L225 HydrophobicContact CG1-CD2 4.21Å |
| 190 | R | 96.3 | Very high | 95.3 | Very high | 108 Ų | 108 | 48.8 Ų | 48.8 | 41% | 0.408 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.2 | -46.6 | 176.8 | -76.9 | 170.6 | 174.1 | 167.2 | -4.5 | 111.7 | L186 E187 V193 S194 H224 | L186-R190 HydrophobicContact CD1-CG 4.36Å; L186-R190 WeakPolarHBondContact O-CG 3.36Å; L186-R190 PolarHBondContact O-N 3.08Å; E187-R190 PolarHBondContact O-N 3.32Å; E187-R190 IonicContact OE1-CZ 3.18Å; E187-R190 IonicContact OE1-NH1 3.74Å; E187-R190 PolarHBondContact OE1-NH1 3.48Å; E187-R190 IonicContact OE2-NH1 2.83Å; R190-V193 PolarHBondContact O-N 2.92Å; R190-S194 WeakPolarHBondContact O-CB 3.38Å; R190-S194 PolarHBondContact O-N 3.08Å; R190-S194 PolarHBondContact O-OG 3.02Å; R190-H224 WeakPolarHBondContact CG-NE2 3.48Å |
| 191 | Q | 95.6 | Very high | 95.1 | Very high | 45 Ų | 45 | 49 Ų | 49 | 21% | 0.21 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -52.5 | 179.7 | -165.9 | 103.9 | 52.1 | 0 | 0 | 111.7 | V156 N157 E187 V188 V189 V193 S194 Q195 | V156-Q191 HydrophobicContact CG1-CG 4.33Å; N157-Q191 VanDerWaalsContact CG-NE2 3.25Å; N157-Q191 VanDerWaalsContact ND2-CD 3.26Å; N157-Q191 PolarHBondContact ND2-NE2 3.46Å; N157-Q191 PolarHBondContact ND2-OE1 3.34Å; N157-Q191 WeakPolarHBondContact OD1-CG 3.28Å; N157-Q191 PolarHBondContact OD1-NE2 3.31Å; N157-Q191 PolarHBondContact OD1-OE1 3.28Å; E187-Q191 WeakPolarHBondContact O-CB 3.43Å; E187-Q191 PolarHBondContact O-N 3.48Å; V188-Q191 WeakPolarHBondContact O-CB 3.36Å; V188-Q191 PolarHBondContact O-N 3.2Å; V189-Q191 VanDerWaalsContact C-N 3.3Å; V189-Q191 PolarHBondContact O-N 3.16Å; Q191-V193 VanDerWaalsContact C-N 3.33Å; Q191-V193 PolarHBondContact O-N 3.03Å; Q191-S194 PolarHBondContact O-N 2.86Å; Q191-S194 PolarHBondContact O-OG 3.36Å; Q191-Q195 WeakPolarHBondContact O-CG 3.34Å; Q191-Q195 PolarHBondContact O-N 2.9Å; Q191-Q195 VanDerWaalsContact O-N 3.1Å |
| 192 | L | 96 | Very high | 95 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 179.8 | -72.1 | 172 | 0 | 0 | 0 | 110.7 | L144 A148 V156 L160 I166 A176 L177 A180 V188 V189 Q195 G196 A197 | L144-L192 HydrophobicContact CD1-CD2 4.43Å; L144-L192 HydrophobicContact CD2-CD2 4.47Å; A148-L192 HydrophobicContact CB-CD1 4.5Å; V156-L192 HydrophobicContact CG1-CD2 3.99Å; V156-L192 HydrophobicContact CG1-CG 4.38Å; L160-L192 HydrophobicContact CD1-CD2 4.27Å; I166-L192 HydrophobicContact CD1-CD2 4.24Å; I166-L192 VanDerWaalsContact CD1-O 3.28Å; I166-L192 WeakPolarHBondContact CD1-O 3.47Å; I166-L192 HydrophobicContact CG1-CD2 3.97Å; A176-L192 HydrophobicContact CB-CD1 4.2Å; L177-L192 HydrophobicContact CB-CD1 4.39Å; L177-L192 HydrophobicContact CD1-CB 4.24Å; L177-L192 HydrophobicContact CD1-CD1 4.28Å; A180-L192 HydrophobicContact CB-CD1 4.37Å; V188-L192 HydrophobicContact CG1-CD1 3.72Å; V188-L192 HydrophobicContact CG1-CG 4.14Å; V188-L192 WeakPolarHBondContact O-CB 3.24Å; V188-L192 VanDerWaalsContact O-CG 3.26Å; V188-L192 WeakPolarHBondContact O-CG 3.46Å; V188-L192 PolarHBondContact O-N 3.35Å; V189-L192 PolarHBondContact O-N 3.21Å; L192-Q195 PolarHBondContact O-N 3.31Å; L192-G196 PolarHBondContact O-N 2.82Å; L192-A197 VanDerWaalsContact C-CB 3.47Å; L192-A197 HydrophobicContact CB-CB 3.92Å; L192-A197 WeakPolarHBondContact O-CB 3.5Å; L192-A197 PolarHBondContact O-N 2.93Å |
| 193 | V | 95.2 | Very high | 94.9 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 178 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | L177 V189 R190 Q191 Q195 G196 I199 L228 | L177-V193 HydrophobicContact CD1-CG2 4.19Å; L177-V193 HydrophobicContact CD2-CG2 4.49Å; V189-V193 HydrophobicContact CG1-CG2 4.39Å; V189-V193 WeakPolarHBondContact O-CB 3.31Å; V189-V193 VanDerWaalsContact O-CG2 3.25Å; V189-V193 WeakPolarHBondContact O-CG2 3.32Å; V189-V193 PolarHBondContact O-N 3.23Å; R190-V193 PolarHBondContact O-N 2.92Å; Q191-V193 VanDerWaalsContact C-N 3.33Å; Q191-V193 PolarHBondContact O-N 3.03Å; V193-Q195 PolarHBondContact O-N 2.79Å; V193-G196 PolarHBondContact O-N 3.11Å; V193-I199 HydrophobicContact CG1-CD1 3.81Å; V193-I199 HydrophobicContact CG1-CG1 4.12Å; V193-I199 HydrophobicContact CG2-CG1 4.12Å; V193-L228 HydrophobicContact CG1-CD1 3.87Å; V193-L228 HydrophobicContact CG2-CD1 4.41Å |
| 194 | S | 94.4 | Very high | 94.8 | Very high | 82 Ų | 82 | 54.5 Ų | 54.5 | 57% | 0.573 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.8 | -27 | 178.8 | 74.7 | 0 | 0 | 0 | 0 | 113.7 | R190 Q191 | R190-S194 WeakPolarHBondContact O-CB 3.38Å; R190-S194 PolarHBondContact O-N 3.08Å; R190-S194 PolarHBondContact O-OG 3.02Å; Q191-S194 PolarHBondContact O-N 2.86Å; Q191-S194 PolarHBondContact O-OG 3.36Å |
| 195 | Q | 93.7 | Very high | 94.7 | Very high | 116 Ų | 116 | 60 Ų | 60 | 54% | 0.542 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 11.9 | 179.2 | -64.5 | -65.7 | -35.6 | 0 | 0 | 112.8 | L160 I166 Q191 L192 V193 | L160-Q195 HydrophobicContact CD1-CB 4.14Å; L160-Q195 HydrophobicContact CD1-CG 4.09Å; I166-Q195 HydrophobicContact CD1-CB 3.7Å; I166-Q195 WeakPolarHBondContact CD1-O 3.34Å; Q191-Q195 WeakPolarHBondContact O-CG 3.34Å; Q191-Q195 PolarHBondContact O-N 2.9Å; Q191-Q195 VanDerWaalsContact O-N 3.1Å; L192-Q195 PolarHBondContact O-N 3.31Å; V193-Q195 PolarHBondContact O-N 2.79Å |
| 196 | G | 91.3 | Very high | 94.6 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 23.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L192 V193 E198 | L192-G196 PolarHBondContact O-N 2.82Å; V193-G196 PolarHBondContact O-N 3.11Å; G196-E198 PolarHBondContact O-N 3.08Å |
| 197 | A | 93.7 | Very high | 94.6 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | trans | -63.5 | 134.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I166 L177 L192 I199 | I166-A197 HydrophobicContact CD1-CB 3.87Å; I166-A197 HydrophobicContact CG1-CB 3.91Å; L177-A197 HydrophobicContact CD2-CB 4.32Å; L192-A197 VanDerWaalsContact C-CB 3.47Å; L192-A197 HydrophobicContact CB-CB 3.92Å; L192-A197 WeakPolarHBondContact O-CB 3.5Å; L192-A197 PolarHBondContact O-N 2.93Å; A197-I199 PolarHBondContact O-N 3.09Å | ||
| 198 | E | 92.4 | Very high | 94.6 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | trans | -70.4 | 117.7 | 176.7 | -69.2 | 167.7 | -148.1 | 0 | 0 | 110.2 | N167 R175 G196 C201 | N167-E198 PolarHBondContact ND2-OE1 3Å; N167-E198 PolarHBondContact OD1-N 3.36Å; R175-E198 IonicContact CZ-OE2 3.08Å; R175-E198 VanDerWaalsContact CZ-OE2 3.27Å; R175-E198 VanDerWaalsContact NH1-CB 3.27Å; R175-E198 IonicContact NH1-OE1 2.96Å; R175-E198 IonicContact NH1-OE2 3.28Å; R175-E198 PolarHBondContact NH1-OE2 3.02Å; R175-E198 IonicContact NH2-OE2 2.92Å; R175-E198 PolarHBondContact NH2-OE2 3.32Å; G196-E198 PolarHBondContact O-N 3.08Å; E198-C201 HydrophobicContact CB-CB 4.25Å; E198-C201 PolarHBondContact O-SG 3.36Å | ||
| 199 | I | 92.6 | Very high | 94.6 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -35.6 | -172.9 | -46.3 | 168.8 | 0 | 0 | 0 | 111.8 | V193 A197 C201 P209 L225 L228 V230 | V193-I199 HydrophobicContact CG1-CD1 3.81Å; V193-I199 HydrophobicContact CG1-CG1 4.12Å; V193-I199 HydrophobicContact CG2-CG1 4.12Å; A197-I199 PolarHBondContact O-N 3.09Å; I199-C201 VanDerWaalsContact C-N 3.26Å; I199-C201 PolarHBondContact O-N 2.83Å; I199-P209 VanDerWaalsContact O-CD 3.31Å; I199-P209 WeakPolarHBondContact O-CD 3.34Å; I199-P209 WeakPolarHBondContact O-CG 3.39Å; I199-L225 HydrophobicContact CG2-CD2 3.76Å; I199-L228 HydrophobicContact CD1-CB 4.19Å; I199-L228 HydrophobicContact CD1-CD1 4.1Å; I199-V230 HydrophobicContact CB-CG2 4.35Å; I199-V230 HydrophobicContact CG2-CG2 3.41Å; I199-V230 VanDerWaalsContact CG2-CG2 3.41Å |
| 200 | S | 90.4 | Very high | 94.6 | Very high | 91 Ų | 91 | 53.9 Ų | 53.9 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 19 | -179.7 | 59 | 0 | 0 | 0 | 0 | 113.6 | ||
| 201 | C | 92.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.034 | 26% | 0.258 | C | S | . | . | trans | -63.7 | 152.3 | 179.5 | 61 | 0 | 0 | 0 | 0 | 112.2 | H178 E198 I199 T208 P209 | H178-C201 PolarHBondContact CE1-SG 3.5Å; E198-C201 HydrophobicContact CB-CB 4.25Å; E198-C201 PolarHBondContact O-SG 3.36Å; I199-C201 VanDerWaalsContact C-N 3.26Å; I199-C201 PolarHBondContact O-N 2.83Å; C201-T208 WeakPolarHBondContact O-CA 3.37Å; C201-P209 WeakPolarHBondContact O-CD 3.16Å | ||
| 202 | K | 95.1 | Very high | 94.7 | Very high | 90 Ų | 90 | 47.2 Ų | 47.2 | 39% | 0.391 | 25% | 0.253 | S | S | . | . | trans | -122.8 | 135.3 | -178.2 | -70.4 | -173.9 | -177.2 | -171.2 | 0 | 110.6 | Y207 T208 E234 A235 | K202-Y207 WeakPolarHBondContact CA-O 3.49Å; K202-T208 HydrophobicContact CG-CG2 4.11Å; K202-E234 WeakPolarHBondContact CE-OE1 3.41Å; K202-E234 IonicContact NZ-OE1 3.78Å; K202-E234 PolarHBondContact NZ-OE1 3.21Å; K202-A235 PolarHBondContact NZ-O 3.27Å | ||
| 203 | D | 94.9 | Very high | 94.8 | Very high | 35 Ų | 35 | 47.2 Ų | 47.2 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | trans | -74.4 | 179.6 | 167.3 | 87.5 | -10.9 | 0 | 0 | 0 | 111.3 | K172 R205 G206 Y207 | K172-D203 WeakPolarHBondContact O-CB 3.45Å; D203-R205 PolarHBondContact O-N 2.93Å; D203-R205 VanDerWaalsContact OD1-C 3.27Å; D203-R205 VanDerWaalsContact OD1-CA 3.31Å; D203-R205 WeakPolarHBondContact OD1-CA 3.24Å; D203-R205 PolarHBondContact OD1-N 2.86Å; D203-G206 WeakPolarHBondContact O-CA 3.35Å; D203-G206 PolarHBondContact O-N 3.06Å; D203-G206 PolarHBondContact OD1-N 3.2Å; D203-Y207 PolarHBondContact N-O 3.45Å; D203-Y207 WeakPolarHBondContact OD1-CB 3.4Å; D203-Y207 PolarHBondContact OD1-N 3.2Å | ||
| 204 | K | 95.1 | Very high | 94.8 | Very high | 152 Ų | 152 | 46 Ų | 46 | 66% | 0.661 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.3 | -178.4 | -174 | 169.5 | -176.1 | 170 | 0 | 113.6 | K172 D173 | K172-K204 VanDerWaalsContact O-CB 3.25Å; K172-K204 WeakPolarHBondContact O-CB 3.27Å; K172-K204 PolarHBondContact O-N 3.03Å; D173-K204 HydrophobicContact CB-CB 4.33Å; D173-K204 WeakPolarHBondContact OD2-CB 3.24Å |
| 205 | R | 94.7 | Very high | 94.9 | Very high | 129 Ų | 129 | 43.5 Ų | 43.5 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 8 | 177.9 | -66 | 178.4 | 68.2 | -158 | -1.3 | 112 | D203 Y207 A237 F238 | D203-R205 PolarHBondContact O-N 2.93Å; D203-R205 VanDerWaalsContact OD1-C 3.27Å; D203-R205 VanDerWaalsContact OD1-CA 3.31Å; D203-R205 WeakPolarHBondContact OD1-CA 3.24Å; D203-R205 PolarHBondContact OD1-N 2.86Å; R205-Y207 VanDerWaalsContact C-N 3.33Å; R205-Y207 HydrophobicContact CB-CD2 3.7Å; R205-Y207 HydrophobicContact CB-CE2 3.91Å; R205-A237 WeakPolarHBondContact O-CB 3.17Å; R205-A237 PolarHBondContact O-N 3.38Å; R205-F238 HydrophobicContact CB-CE2 4.3Å |
| 206 | G | 95.4 | Very high | 95 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | trans | 77.4 | 10.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D203 N236 | D203-G206 WeakPolarHBondContact O-CA 3.35Å; D203-G206 PolarHBondContact O-N 3.06Å; D203-G206 PolarHBondContact OD1-N 3.2Å; G206-N236 VanDerWaalsContact O-CA 3.28Å; G206-N236 WeakPolarHBondContact O-CA 3.38Å; G206-N236 VanDerWaalsContact O-CB 3.27Å; G206-N236 WeakPolarHBondContact O-CB 3.3Å | ||
| 207 | Y | 96.6 | Very high | 95.2 | Very high | 42 Ų | 42 | 38 Ų | 38 | 17% | 0.165 | 20% | 0.197 | C | C | . | . | trans | -71.1 | 135.6 | 176.5 | -76.4 | -108.4 | 0 | 0 | 0 | 109.7 | H178 K202 D203 R205 H211 N236 F238 V245 | H178-Y207 PolarHBondContact NE2-O 2.88Å; K202-Y207 WeakPolarHBondContact CA-O 3.49Å; D203-Y207 PolarHBondContact N-O 3.45Å; D203-Y207 WeakPolarHBondContact OD1-CB 3.4Å; D203-Y207 PolarHBondContact OD1-N 3.2Å; R205-Y207 VanDerWaalsContact C-N 3.33Å; R205-Y207 HydrophobicContact CB-CD2 3.7Å; R205-Y207 HydrophobicContact CB-CE2 3.91Å; Y207-H211 HydrophobicContact CD1-CB 3.58Å; Y207-H211 HydrophobicContact CE1-CB 4.4Å; Y207-H211 HydrophobicContact CG-CB 4.3Å; Y207-N236 HydrophobicContact CD2-CB 4.35Å; Y207-N236 WeakPolarHBondContact CE2-ND2 3.43Å; Y207-N236 VanDerWaalsContact CZ-ND2 3.32Å; Y207-F238 HydrophobicContact CE2-CE2 4.33Å; Y207-V245 HydrophobicContact CE1-CG2 4.02Å | ||
| 208 | T | 96.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | trans | -94.9 | 166.7 | 171.8 | 69.5 | 0 | 0 | 0 | 0 | 111.1 | C201 K202 L210 H211 A212 E234 | C201-T208 WeakPolarHBondContact O-CA 3.37Å; K202-T208 HydrophobicContact CG-CG2 4.11Å; T208-L210 PolarHBondContact O-N 3.11Å; T208-L210 PolarHBondContact OG1-N 3.41Å; T208-H211 PolarHBondContact N-ND1 2.94Å; T208-H211 WeakPolarHBondContact O-CB 3.16Å; T208-H211 PolarHBondContact O-N 2.89Å; T208-H211 PolarHBondContact OG1-N 3.28Å; T208-H211 PolarHBondContact OG1-ND1 3.48Å; T208-A212 PolarHBondContact O-N 3.14Å; T208-E234 HydrophobicContact CG2-CG 4.15Å | ||
| 209 | P | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.7 | -33.5 | 171.7 | -28.2 | 36.3 | 0 | 0 | 0 | 113.5 | L177 A181 I199 C201 A212 A213 L225 | L177-P209 HydrophobicContact CB-CG 4.49Å; L177-P209 HydrophobicContact CD2-CB 4.29Å; L177-P209 HydrophobicContact CD2-CG 3.8Å; L177-P209 HydrophobicContact CG-CB 4.09Å; L177-P209 HydrophobicContact CG-CG 3.9Å; A181-P209 HydrophobicContact CB-CB 4.13Å; A181-P209 WeakPolarHBondContact CB-O 3.42Å; I199-P209 VanDerWaalsContact O-CD 3.31Å; I199-P209 WeakPolarHBondContact O-CD 3.34Å; I199-P209 WeakPolarHBondContact O-CG 3.39Å; C201-P209 WeakPolarHBondContact O-CD 3.16Å; P209-A212 PolarHBondContact O-N 2.85Å; P209-A213 PolarHBondContact O-N 2.83Å; P209-L225 HydrophobicContact CB-CD1 4.22Å |
| 210 | L | 97.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 174.4 | -176.6 | 63.4 | 0 | 0 | 0 | 111.5 | T208 A212 A213 A214 V222 L225 L226 V230 A242 | T208-L210 PolarHBondContact O-N 3.11Å; T208-L210 PolarHBondContact OG1-N 3.41Å; L210-A212 VanDerWaalsContact C-N 3.3Å; L210-A212 PolarHBondContact O-N 2.81Å; L210-A213 PolarHBondContact O-N 3.49Å; L210-A214 WeakPolarHBondContact O-CB 3.35Å; L210-A214 PolarHBondContact O-N 3.2Å; L210-V222 HydrophobicContact CD1-CB 4.45Å; L210-V222 HydrophobicContact CD1-CG1 4.07Å; L210-V222 HydrophobicContact CD1-CG2 4.32Å; L210-L225 HydrophobicContact CB-CD1 4.32Å; L210-L225 HydrophobicContact CD1-CB 4.28Å; L210-L225 HydrophobicContact CD1-CD1 4.39Å; L210-L226 HydrophobicContact CD1-CD2 4.31Å; L210-L226 HydrophobicContact CD1-CG 4.4Å; L210-L226 HydrophobicContact CD2-CD2 4.09Å; L210-V230 HydrophobicContact CD2-CG1 4.37Å; L210-A242 HydrophobicContact CD2-CB 4.15Å; L210-A242 HydrophobicContact CG-CB 3.91Å |
| 211 | H | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 173.5 | -68 | 88.1 | 0 | 0 | 0 | 112.1 | Y207 T208 A214 S215 E234 N240 T241 A242 | Y207-H211 HydrophobicContact CD1-CB 3.58Å; Y207-H211 HydrophobicContact CE1-CB 4.4Å; Y207-H211 HydrophobicContact CG-CB 4.3Å; T208-H211 PolarHBondContact N-ND1 2.94Å; T208-H211 WeakPolarHBondContact O-CB 3.16Å; T208-H211 PolarHBondContact O-N 2.89Å; T208-H211 PolarHBondContact OG1-N 3.28Å; T208-H211 PolarHBondContact OG1-ND1 3.48Å; H211-A214 PolarHBondContact O-N 2.8Å; H211-S215 VanDerWaalsContact O-CB 3.31Å; H211-S215 WeakPolarHBondContact O-CB 3.39Å; H211-S215 PolarHBondContact O-N 3.4Å; H211-E234 PolarHBondContact CE1-O 3.06Å; H211-E234 PolarHBondContact NE2-O 3.39Å; H211-N240 PolarHBondContact NE2-O 2.65Å; H211-T241 VanDerWaalsContact CD2-C 3.47Å; H211-T241 VanDerWaalsContact NE2-C 3.26Å; H211-T241 WeakPolarHBondContact NE2-CA 3.22Å; H211-A242 PolarHBondContact CD2-N 3.46Å; H211-A242 PolarHBondContact NE2-N 3.04Å |
| 212 | A | 96.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.2 | -46.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F182 T208 P209 L210 S215 S216 | F182-A212 HydrophobicContact CB-CB 4.21Å; T208-A212 PolarHBondContact O-N 3.14Å; P209-A212 PolarHBondContact O-N 2.85Å; L210-A212 VanDerWaalsContact C-N 3.3Å; L210-A212 PolarHBondContact O-N 2.81Å; A212-S215 WeakPolarHBondContact O-CB 3.48Å; A212-S215 PolarHBondContact O-N 3.28Å; A212-S216 PolarHBondContact O-N 3.4Å; A212-S216 PolarHBondContact O-OG 3.48Å |
| 213 | A | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A181 P209 L210 S215 S216 G217 Q218 V221 V222 | A181-A213 HydrophobicContact CB-CB 4.24Å; A181-A213 WeakPolarHBondContact O-CA 3.34Å; P209-A213 PolarHBondContact O-N 2.83Å; L210-A213 PolarHBondContact O-N 3.49Å; A213-S215 VanDerWaalsContact C-N 3.32Å; A213-S215 PolarHBondContact O-N 3.28Å; A213-S216 PolarHBondContact O-N 3.02Å; A213-S216 PolarHBondContact O-OG 3.36Å; A213-G217 PolarHBondContact O-N 3.43Å; A213-G217 VanDerWaalsContact O-N 3.07Å; A213-Q218 HydrophobicContact CB-CB 4.3Å; A213-Q218 PolarHBondContact O-N 3.02Å; A213-V221 HydrophobicContact CB-CB 4.17Å; A213-V221 HydrophobicContact CB-CG1 3.83Å; A213-V222 HydrophobicContact CB-CG2 3.79Å |
| 214 | A | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67 | -34 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L210 H211 S216 A242 A246 V254 | L210-A214 WeakPolarHBondContact O-CB 3.35Å; L210-A214 PolarHBondContact O-N 3.2Å; H211-A214 PolarHBondContact O-N 2.8Å; A214-S216 PolarHBondContact O-N 3.23Å; A214-A242 HydrophobicContact CB-CB 3.99Å; A214-A246 HydrophobicContact CB-CB 4.3Å; A214-V254 HydrophobicContact CB-CG1 4.04Å |
| 215 | S | 96.2 | Very high | 96.5 | Very high | 29 Ų | 29 | 26.6 Ų | 26.6 | 20% | 0.203 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.3 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | H211 A212 A213 N249 | H211-S215 VanDerWaalsContact O-CB 3.31Å; H211-S215 WeakPolarHBondContact O-CB 3.39Å; H211-S215 PolarHBondContact O-N 3.4Å; A212-S215 WeakPolarHBondContact O-CB 3.48Å; A212-S215 PolarHBondContact O-N 3.28Å; A213-S215 VanDerWaalsContact C-N 3.32Å; A213-S215 PolarHBondContact O-N 3.28Å; S215-N249 WeakPolarHBondContact CA-ND2 3.4Å; S215-N249 PolarHBondContact O-ND2 3.15Å; S215-N249 PolarHBondContact OG-ND2 3.49Å |
| 216 | S | 94.9 | Very high | 96.4 | Very high | 30 Ų | 30 | 21 Ų | 21 | 21% | 0.21 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -95.2 | -2 | -176.2 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | F182 A212 A213 A214 Q218 | F182-S216 WeakPolarHBondContact O-CB 3.41Å; F182-S216 PolarHBondContact O-OG 3.38Å; A212-S216 PolarHBondContact O-N 3.4Å; A212-S216 PolarHBondContact O-OG 3.48Å; A213-S216 PolarHBondContact O-N 3.02Å; A213-S216 PolarHBondContact O-OG 3.36Å; A214-S216 PolarHBondContact O-N 3.23Å; S216-Q218 WeakPolarHBondContact OG-CG 3.46Å |
| 217 | G | 95.7 | Very high | 96.4 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 21% | 0.206 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 22.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A213 L219 Q251 | A213-G217 PolarHBondContact O-N 3.43Å; A213-G217 VanDerWaalsContact O-N 3.07Å; G217-L219 VanDerWaalsContact C-N 3.33Å; G217-L219 PolarHBondContact O-N 2.93Å; G217-Q251 VanDerWaalsContact CA-CD 3.41Å |
| 218 | Q | 96.9 | Very high | 96.2 | Very high | 56 Ų | 56 | 27 Ų | 27 | 26% | 0.262 | 15% | 0.153 | S | C | . | . | trans | -82.4 | 75.8 | -172.3 | -57.3 | -66.2 | -3.9 | 0 | 0 | 111.7 | M183 A213 S216 S220 V221 V222 | M183-Q218 PolarHBondContact O-NE2 3.44Å; A213-Q218 HydrophobicContact CB-CB 4.3Å; A213-Q218 PolarHBondContact O-N 3.02Å; S216-Q218 WeakPolarHBondContact OG-CG 3.46Å; Q218-S220 VanDerWaalsContact C-N 3.31Å; Q218-S220 PolarHBondContact O-N 3.02Å; Q218-V221 HydrophobicContact CB-CB 4.23Å; Q218-V221 HydrophobicContact CB-CG2 4.36Å; Q218-V221 PolarHBondContact O-N 3.33Å; Q218-V221 VanDerWaalsContact O-N 3.15Å; Q218-V222 WeakPolarHBondContact O-CG2 3.32Å; Q218-V222 PolarHBondContact O-N 2.63Å | ||
| 219 | L | 96.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 31.3 Ų | 31.3 | 28% | 0.277 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -54.2 | -42 | -173.2 | -179.4 | 63.6 | 0 | 0 | 0 | 113.7 | G217 V221 V222 K223 A253 V254 E257 | G217-L219 VanDerWaalsContact C-N 3.33Å; G217-L219 PolarHBondContact O-N 2.93Å; L219-V221 VanDerWaalsContact C-N 3.34Å; L219-V221 PolarHBondContact O-N 3.44Å; L219-V222 PolarHBondContact O-N 2.98Å; L219-K223 HydrophobicContact CD1-CG 4.38Å; L219-K223 HydrophobicContact CG-CD 4.39Å; L219-K223 WeakPolarHBondContact O-CG 3.5Å; L219-K223 PolarHBondContact O-N 3.48Å; L219-A253 HydrophobicContact CD2-CB 4.42Å; L219-V254 HydrophobicContact CB-CG2 4.42Å; L219-E257 HydrophobicContact CD1-CB 3.65Å; L219-E257 HydrophobicContact CD1-CG 3.9Å |
| 220 | S | 97.4 | Very high | 95.4 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 40% | 0.399 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.7 | -38.5 | -178.5 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | Q218 H224 | Q218-S220 VanDerWaalsContact C-N 3.31Å; Q218-S220 PolarHBondContact O-N 3.02Å; S220-H224 PolarHBondContact O-N 3.05Å; S220-H224 VanDerWaalsContact O-N 3.15Å |
| 221 | V | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.5 | -43.5 | 174.6 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | A181 L186 V189 A213 Q218 L219 K223 H224 L225 | A181-V221 HydrophobicContact CB-CG1 4.02Å; L186-V221 HydrophobicContact CB-CG2 4.3Å; L186-V221 HydrophobicContact CD1-CG2 4.4Å; V189-V221 HydrophobicContact CG1-CG1 4.38Å; V189-V221 HydrophobicContact CG2-CG1 4.13Å; V189-V221 HydrophobicContact CG2-CG2 4.39Å; A213-V221 HydrophobicContact CB-CB 4.17Å; A213-V221 HydrophobicContact CB-CG1 3.83Å; Q218-V221 HydrophobicContact CB-CB 4.23Å; Q218-V221 HydrophobicContact CB-CG2 4.36Å; Q218-V221 PolarHBondContact O-N 3.33Å; Q218-V221 VanDerWaalsContact O-N 3.15Å; L219-V221 VanDerWaalsContact C-N 3.34Å; L219-V221 PolarHBondContact O-N 3.44Å; V221-K223 PolarHBondContact O-N 3.39Å; V221-H224 PolarHBondContact O-N 3.22Å; V221-H224 VanDerWaalsContact O-N 3.15Å; V221-L225 HydrophobicContact CG1-CD1 3.82Å; V221-L225 HydrophobicContact CG1-CG 4.11Å; V221-L225 WeakPolarHBondContact O-CG 3.37Å; V221-L225 PolarHBondContact O-N 3.45Å |
| 222 | V | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.5 | -52.3 | 175.8 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | L210 A213 Q218 L219 H224 L225 L226 V254 L258 | L210-V222 HydrophobicContact CD1-CB 4.45Å; L210-V222 HydrophobicContact CD1-CG1 4.07Å; L210-V222 HydrophobicContact CD1-CG2 4.32Å; A213-V222 HydrophobicContact CB-CG2 3.79Å; Q218-V222 WeakPolarHBondContact O-CG2 3.32Å; Q218-V222 PolarHBondContact O-N 2.63Å; L219-V222 PolarHBondContact O-N 2.98Å; V222-H224 VanDerWaalsContact C-N 3.28Å; V222-H224 PolarHBondContact O-N 3.13Å; V222-L225 PolarHBondContact O-N 3.22Å; V222-L226 HydrophobicContact CG1-CD1 3.64Å; V222-L226 HydrophobicContact CG1-CG 4.2Å; V222-L226 VanDerWaalsContact O-CG 3.26Å; V222-L226 WeakPolarHBondContact O-CG 3.46Å; V222-L226 PolarHBondContact O-N 3.42Å; V222-V254 HydrophobicContact CG1-CG1 4.39Å; V222-V254 HydrophobicContact CG2-CG1 4.05Å; V222-V254 HydrophobicContact CG2-CG2 4.38Å; V222-L258 HydrophobicContact CG1-CD2 4.16Å; V222-L258 HydrophobicContact CG1-CG 4.47Å |
| 223 | K | 96.6 | Very high | 95 | Very high | 72 Ų | 72 | 40.4 Ų | 40.4 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.2 | -43.7 | 176.3 | -71.8 | -179.1 | -168.9 | -113.8 | 0 | 112.1 | L219 V221 N227 E257 | L219-K223 HydrophobicContact CD1-CG 4.38Å; L219-K223 HydrophobicContact CG-CD 4.39Å; L219-K223 WeakPolarHBondContact O-CG 3.5Å; L219-K223 PolarHBondContact O-N 3.48Å; V221-K223 PolarHBondContact O-N 3.39Å; K223-N227 WeakPolarHBondContact O-CB 3.13Å; K223-N227 VanDerWaalsContact O-CG 3.31Å; K223-N227 PolarHBondContact O-N 3.13Å; K223-N227 VanDerWaalsContact O-N 3.08Å; K223-N227 PolarHBondContact O-ND2 3.05Å; K223-E257 WeakPolarHBondContact CE-OE1 3.28Å; K223-E257 WeakPolarHBondContact CE-OE2 3.37Å; K223-E257 HydrophobicContact CG-CG 3.89Å; K223-E257 WeakPolarHBondContact CG-OE1 3.27Å; K223-E257 IonicContact NZ-OE1 3.16Å; K223-E257 PolarHBondContact NZ-OE1 3.35Å; K223-E257 IonicContact NZ-OE2 2.76Å; K223-E257 PolarHBondContact NZ-OE2 3.23Å |
| 224 | H | 96.3 | Very high | 94.9 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 18% | 0.181 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 179.8 | -175.5 | 53.1 | 0 | 0 | 0 | 112.4 | L186 R190 S220 V221 V222 N227 L228 | L186-H224 HydrophobicContact CD1-CB 3.6Å; R190-H224 WeakPolarHBondContact CG-NE2 3.48Å; S220-H224 PolarHBondContact O-N 3.05Å; S220-H224 VanDerWaalsContact O-N 3.15Å; V221-H224 PolarHBondContact O-N 3.22Å; V221-H224 VanDerWaalsContact O-N 3.15Å; V222-H224 VanDerWaalsContact C-N 3.28Å; V222-H224 PolarHBondContact O-N 3.13Å; H224-N227 PolarHBondContact O-N 3.34Å; H224-L228 WeakPolarHBondContact O-CG 3.37Å; H224-L228 PolarHBondContact O-N 3.48Å |
| 225 | L | 95.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 177.7 | -67.9 | 176 | 0 | 0 | 0 | 112.1 | V189 I199 P209 L210 V221 V222 L228 V230 | V189-L225 HydrophobicContact CG1-CD2 4.21Å; I199-L225 HydrophobicContact CG2-CD2 3.76Å; P209-L225 HydrophobicContact CB-CD1 4.22Å; L210-L225 HydrophobicContact CB-CD1 4.32Å; L210-L225 HydrophobicContact CD1-CB 4.28Å; L210-L225 HydrophobicContact CD1-CD1 4.39Å; V221-L225 HydrophobicContact CG1-CD1 3.82Å; V221-L225 HydrophobicContact CG1-CG 4.11Å; V221-L225 WeakPolarHBondContact O-CG 3.37Å; V221-L225 PolarHBondContact O-N 3.45Å; V222-L225 PolarHBondContact O-N 3.22Å; L225-L228 WeakPolarHBondContact O-CB 3.39Å; L225-L228 PolarHBondContact O-N 3.39Å; L225-L228 VanDerWaalsContact O-N 3.13Å; L225-V230 VanDerWaalsContact O-CG2 3.26Å; L225-V230 WeakPolarHBondContact O-CG2 3.28Å |
| 226 | L | 94.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | 176.7 | -66.6 | 172.5 | 0 | 0 | 0 | 112.1 | L210 V222 L228 A229 I232 L258 Y261 | L210-L226 HydrophobicContact CD1-CD2 4.31Å; L210-L226 HydrophobicContact CD1-CG 4.4Å; L210-L226 HydrophobicContact CD2-CD2 4.09Å; V222-L226 HydrophobicContact CG1-CD1 3.64Å; V222-L226 HydrophobicContact CG1-CG 4.2Å; V222-L226 VanDerWaalsContact O-CG 3.26Å; V222-L226 WeakPolarHBondContact O-CG 3.46Å; V222-L226 PolarHBondContact O-N 3.42Å; L226-L228 PolarHBondContact O-N 3.18Å; L226-A229 PolarHBondContact O-N 3.13Å; L226-I232 HydrophobicContact CD2-CB 4.39Å; L226-I232 HydrophobicContact CD2-CD1 3.82Å; L226-I232 HydrophobicContact CD2-CG1 3.61Å; L226-I232 HydrophobicContact CD2-CG2 4.2Å; L226-L258 HydrophobicContact CD1-CD2 4.17Å; L226-L258 HydrophobicContact CD2-CD2 4.29Å; L226-Y261 HydrophobicContact CB-CD1 3.76Å; L226-Y261 HydrophobicContact CB-CE1 3.82Å; L226-Y261 HydrophobicContact CB-CG 4.33Å; L226-Y261 HydrophobicContact CD1-CD1 4.13Å; L226-Y261 HydrophobicContact CD1-CD2 4Å; L226-Y261 HydrophobicContact CD1-CE2 4.44Å; L226-Y261 HydrophobicContact CD1-CG 3.82Å; L226-Y261 HydrophobicContact CG-CD1 4.46Å |
| 227 | N | 94.6 | Very high | 94.9 | Very high | 112 Ų | 112 | 45.8 Ų | 45.8 | 60% | 0.599 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -64.9 | -16.8 | 174.6 | -78 | -50.7 | 0 | 0 | 0 | 113.7 | K223 H224 A229 | K223-N227 WeakPolarHBondContact O-CB 3.13Å; K223-N227 VanDerWaalsContact O-CG 3.31Å; K223-N227 PolarHBondContact O-N 3.13Å; K223-N227 VanDerWaalsContact O-N 3.08Å; K223-N227 PolarHBondContact O-ND2 3.05Å; H224-N227 PolarHBondContact O-N 3.34Å; N227-A229 PolarHBondContact O-N 2.66Å |
| 228 | L | 92.9 | Very high | 94.9 | Very high | 66 Ų | 66 | 49 Ų | 49 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 14.9 | 174.5 | -64.8 | 164.9 | 0 | 0 | 0 | 112.5 | V193 I199 H224 L225 L226 V230 | V193-L228 HydrophobicContact CG1-CD1 3.87Å; V193-L228 HydrophobicContact CG2-CD1 4.41Å; I199-L228 HydrophobicContact CD1-CB 4.19Å; I199-L228 HydrophobicContact CD1-CD1 4.1Å; H224-L228 WeakPolarHBondContact O-CG 3.37Å; H224-L228 PolarHBondContact O-N 3.48Å; L225-L228 WeakPolarHBondContact O-CB 3.39Å; L225-L228 PolarHBondContact O-N 3.39Å; L225-L228 VanDerWaalsContact O-N 3.13Å; L226-L228 PolarHBondContact O-N 3.18Å; L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 PolarHBondContact O-N 3.49Å |
| 229 | A | 85 | Confident | 94.8 | Very high | 94 Ų | 94 | 46.6 Ų | 46.6 | 78% | 0.777 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 38.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L226 N227 | L226-A229 PolarHBondContact O-N 3.13Å; N227-A229 PolarHBondContact O-N 2.66Å |
| 230 | V | 90.4 | Very high | 94.8 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | trans | -68.6 | 139.1 | 170.6 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | I199 L210 L225 L228 I232 | I199-V230 HydrophobicContact CB-CG2 4.35Å; I199-V230 HydrophobicContact CG2-CG2 3.41Å; I199-V230 VanDerWaalsContact CG2-CG2 3.41Å; L210-V230 HydrophobicContact CD2-CG1 4.37Å; L225-V230 VanDerWaalsContact O-CG2 3.26Å; L225-V230 WeakPolarHBondContact O-CG2 3.28Å; L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 PolarHBondContact O-N 3.49Å; V230-I232 PolarHBondContact O-N 3.25Å; V230-I232 VanDerWaalsContact O-N 3.13Å | ||
| 231 | E | 93.6 | Very high | 94.9 | Very high | 117 Ų | 117 | 42 Ų | 42 | 55% | 0.547 | 24% | 0.237 | S | C | . | . | trans | -59.4 | 114 | 173.1 | -174.8 | 53 | -114 | 0 | 0 | 110.5 | E234 | E231-E234 HydrophobicContact CB-CB 4.23Å; E231-E234 HydrophobicContact CG-CB 4.12Å | ||
| 232 | I | 94.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 42.1 Ų | 42.1 | 16% | 0.159 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -37.4 | -170.1 | -53.3 | -175.8 | 0 | 0 | 0 | 110.4 | L226 V230 E234 L258 Y261 A263 | L226-I232 HydrophobicContact CD2-CB 4.39Å; L226-I232 HydrophobicContact CD2-CD1 3.82Å; L226-I232 HydrophobicContact CD2-CG1 3.61Å; L226-I232 HydrophobicContact CD2-CG2 4.2Å; V230-I232 PolarHBondContact O-N 3.25Å; V230-I232 VanDerWaalsContact O-N 3.13Å; I232-E234 VanDerWaalsContact C-N 3.33Å; I232-L258 HydrophobicContact CG2-CD2 4.12Å; I232-Y261 WeakPolarHBondContact CD1-O 3.41Å; I232-A263 HydrophobicContact CG2-CB 3.71Å |
| 233 | D | 94.7 | Very high | 94.9 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 16.9 | -174.4 | -73 | -23.3 | 0 | 0 | 0 | 112.8 | A235 T241 N264 Q267 | D233-A235 PolarHBondContact O-N 3.26Å; D233-T241 HydrophobicContact CB-CG2 4.48Å; D233-T241 WeakPolarHBondContact O-CG2 3.33Å; D233-N264 PolarHBondContact OD1-N 3.46Å; D233-N264 VanDerWaalsContact OD1-N 3.1Å; D233-N264 VanDerWaalsContact OD2-CB 3.22Å; D233-N264 WeakPolarHBondContact OD2-CB 3.11Å; D233-N264 PolarHBondContact OD2-N 2.82Å; D233-Q267 VanDerWaalsContact CB-OE1 3.3Å; D233-Q267 PolarHBondContact O-NE2 3.42Å |
| 234 | E | 95.4 | Very high | 94.9 | Very high | 69 Ų | 69 | 38.8 Ų | 38.8 | 32% | 0.322 | 22% | 0.223 | S | C | . | . | trans | -59.6 | 128.8 | 175.3 | -171.8 | 63.3 | -141.5 | 0 | 0 | 110.1 | K202 T208 H211 E231 I232 | K202-E234 WeakPolarHBondContact CE-OE1 3.41Å; K202-E234 IonicContact NZ-OE1 3.78Å; K202-E234 PolarHBondContact NZ-OE1 3.21Å; T208-E234 HydrophobicContact CG2-CG 4.15Å; H211-E234 PolarHBondContact CE1-O 3.06Å; H211-E234 PolarHBondContact NE2-O 3.39Å; E231-E234 HydrophobicContact CB-CB 4.23Å; E231-E234 HydrophobicContact CG-CB 4.12Å; I232-E234 VanDerWaalsContact C-N 3.33Å | ||
| 235 | A | 95.9 | Very high | 94.9 | Very high | 31 Ų | 31 | 37.5 Ų | 37.5 | 26% | 0.256 | 22% | 0.218 | S | C | . | . | trans | -97.2 | 140.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K202 D233 | K202-A235 PolarHBondContact NZ-O 3.27Å; D233-A235 PolarHBondContact O-N 3.26Å | ||
| 236 | N | 95.9 | Very high | 95 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | trans | -78.4 | -176.5 | 168.8 | 74.5 | 13.6 | 0 | 0 | 0 | 112.2 | G206 Y207 F238 G239 N240 | G206-N236 VanDerWaalsContact O-CA 3.28Å; G206-N236 WeakPolarHBondContact O-CA 3.38Å; G206-N236 VanDerWaalsContact O-CB 3.27Å; G206-N236 WeakPolarHBondContact O-CB 3.3Å; Y207-N236 HydrophobicContact CD2-CB 4.35Å; Y207-N236 WeakPolarHBondContact CE2-ND2 3.43Å; Y207-N236 VanDerWaalsContact CZ-ND2 3.32Å; N236-F238 PolarHBondContact O-N 3.1Å; N236-F238 WeakPolarHBondContact OD1-CA 3.35Å; N236-F238 WeakPolarHBondContact OD1-CB 3.45Å; N236-F238 PolarHBondContact OD1-N 3.24Å; N236-G239 PolarHBondContact O-N 2.73Å; N236-G239 PolarHBondContact OD1-N 2.9Å; N236-N240 PolarHBondContact N-O 3.35Å; N236-N240 WeakPolarHBondContact OD1-CB 3.5Å; N236-N240 PolarHBondContact OD1-N 2.95Å; N236-N240 PolarHBondContact OD1-O 3.48Å | ||
| 237 | A | 96.6 | Very high | 95.1 | Very high | 63 Ų | 63 | 36.9 Ų | 36.9 | 52% | 0.521 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R205 N270 | R205-A237 WeakPolarHBondContact O-CB 3.17Å; R205-A237 PolarHBondContact O-N 3.38Å; A237-N270 PolarHBondContact O-ND2 3.33Å |
| 238 | F | 95.5 | Very high | 95.2 | Very high | 89 Ų | 89 | 36.3 Ų | 36.3 | 39% | 0.39 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.6 | 176.7 | -51.8 | -77 | 0 | 0 | 0 | 113.1 | R205 Y207 N236 N240 N270 | R205-F238 HydrophobicContact CB-CE2 4.3Å; Y207-F238 HydrophobicContact CE2-CE2 4.33Å; N236-F238 PolarHBondContact O-N 3.1Å; N236-F238 WeakPolarHBondContact OD1-CA 3.35Å; N236-F238 WeakPolarHBondContact OD1-CB 3.45Å; N236-F238 PolarHBondContact OD1-N 3.24Å; F238-N240 VanDerWaalsContact C-N 3.31Å; F238-N270 VanDerWaalsContact O-CB 3.32Å; F238-N270 WeakPolarHBondContact O-CB 3.47Å; F238-N270 PolarHBondContact O-N 2.94Å; F238-N270 VanDerWaalsContact O-N 3.13Å |
| 239 | G | 95.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 80.5 | 8.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N236 N269 N270 | N236-G239 PolarHBondContact O-N 2.73Å; N236-G239 PolarHBondContact OD1-N 2.9Å; G239-N269 VanDerWaalsContact O-CA 3.3Å; G239-N269 WeakPolarHBondContact O-CA 3.02Å; G239-N269 VanDerWaalsContact O-CB 3.31Å; G239-N269 WeakPolarHBondContact O-CB 3.49Å; G239-N270 WeakPolarHBondContact CA-OD1 3.43Å; G239-N270 PolarHBondContact N-ND2 2.89Å |
| 240 | N | 97.4 | Very high | 95.8 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | trans | -85.8 | 138.1 | -179.1 | -60.9 | -32.3 | 0 | 0 | 0 | 109.8 | H211 N236 F238 H244 N269 F278 | H211-N240 PolarHBondContact NE2-O 2.65Å; N236-N240 PolarHBondContact N-O 3.35Å; N236-N240 WeakPolarHBondContact OD1-CB 3.5Å; N236-N240 PolarHBondContact OD1-N 2.95Å; N236-N240 PolarHBondContact OD1-O 3.48Å; F238-N240 VanDerWaalsContact C-N 3.31Å; N240-H244 HydrophobicContact CB-CB 3.94Å; N240-N269 VanDerWaalsContact OD1-CB 3.24Å; N240-N269 WeakPolarHBondContact OD1-CB 3.25Å; N240-N269 PolarHBondContact OD1-ND2 3.49Å; N240-F278 WeakPolarHBondContact OD1-CZ 3.21Å | ||
| 241 | T | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -92.1 | 174.2 | 170.6 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | H211 D233 L243 H244 V245 Q267 | H211-T241 VanDerWaalsContact CD2-C 3.47Å; H211-T241 VanDerWaalsContact NE2-C 3.26Å; H211-T241 WeakPolarHBondContact NE2-CA 3.22Å; D233-T241 HydrophobicContact CB-CG2 4.48Å; D233-T241 WeakPolarHBondContact O-CG2 3.33Å; T241-L243 PolarHBondContact O-N 3.07Å; T241-H244 PolarHBondContact N-ND1 2.77Å; T241-H244 VanDerWaalsContact N-ND1 3.16Å; T241-H244 WeakPolarHBondContact O-CB 3.33Å; T241-H244 PolarHBondContact O-N 2.61Å; T241-H244 VanDerWaalsContact O-N 3.15Å; T241-H244 PolarHBondContact OG1-ND1 2.7Å; T241-V245 PolarHBondContact O-N 3.19Å; T241-Q267 HydrophobicContact CG2-CG 4.41Å | ||
| 242 | A | 96.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.4 | -36.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L210 H211 A214 V245 A246 L258 | L210-A242 HydrophobicContact CD2-CB 4.15Å; L210-A242 HydrophobicContact CG-CB 3.91Å; H211-A242 PolarHBondContact CD2-N 3.46Å; H211-A242 PolarHBondContact NE2-N 3.04Å; A214-A242 HydrophobicContact CB-CB 3.99Å; A242-V245 PolarHBondContact O-N 3.18Å; A242-A246 WeakPolarHBondContact O-CB 3.26Å; A242-A246 PolarHBondContact O-N 3.25Å; A242-L258 HydrophobicContact CB-CD1 4.25Å |
| 243 | L | 97.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.9 | -174.2 | 61 | 0 | 0 | 0 | 111.9 | T241 V245 A246 C247 V255 L258 I259 A263 V265 P275 L292 | T241-L243 PolarHBondContact O-N 3.07Å; L243-V245 VanDerWaalsContact C-N 3.32Å; L243-V245 PolarHBondContact O-N 3.46Å; L243-A246 PolarHBondContact O-N 2.97Å; L243-C247 WeakPolarHBondContact O-CB 3.26Å; L243-C247 PolarHBondContact O-N 3.17Å; L243-C247 PolarHBondContact O-SG 2.98Å; L243-V255 HydrophobicContact CD1-CB 4.34Å; L243-V255 HydrophobicContact CD1-CG1 3.96Å; L243-V255 HydrophobicContact CD1-CG2 4.22Å; L243-L258 HydrophobicContact CB-CD1 4.34Å; L243-L258 HydrophobicContact CD1-CB 4.19Å; L243-L258 HydrophobicContact CD1-CD1 4.29Å; L243-I259 HydrophobicContact CD1-CG1 4.28Å; L243-A263 HydrophobicContact CD2-CB 4.12Å; L243-V265 HydrophobicContact CD2-CG1 4.43Å; L243-P275 HydrophobicContact CD2-CB 4.19Å; L243-P275 HydrophobicContact CD2-CG 3.89Å; L243-P275 HydrophobicContact CG-CB 4.02Å; L243-P275 HydrophobicContact CG-CG 4.03Å; L243-L292 HydrophobicContact CD2-CD2 4.23Å |
| 244 | H | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 175.9 | -70.7 | 83.9 | 0 | 0 | 0 | 112.1 | N240 T241 C247 F248 Q267 F273 P275 F278 | N240-H244 HydrophobicContact CB-CB 3.94Å; T241-H244 PolarHBondContact N-ND1 2.77Å; T241-H244 VanDerWaalsContact N-ND1 3.16Å; T241-H244 WeakPolarHBondContact O-CB 3.33Å; T241-H244 PolarHBondContact O-N 2.61Å; T241-H244 VanDerWaalsContact O-N 3.15Å; T241-H244 PolarHBondContact OG1-ND1 2.7Å; H244-C247 PolarHBondContact O-N 3.14Å; H244-F248 PolarHBondContact O-N 3Å; H244-Q267 PolarHBondContact CE1-O 3.4Å; H244-Q267 PolarHBondContact NE2-O 3.09Å; H244-Q267 VanDerWaalsContact NE2-O 3.08Å; H244-F273 PolarHBondContact NE2-O 3.06Å; H244-P275 WeakPolarHBondContact NE2-CD 3.36Å; H244-F278 HydrophobicContact CB-CD2 4.47Å; H244-F278 AromaticContact CD2-CD2 3.69Å; H244-F278 AromaticContact CD2-CE2 3.73Å |
| 245 | V | 96.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 7% | 0.073 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.9 | -42.1 | -177.5 | -178 | 0 | 0 | 0 | 0 | 110.8 | Y207 T241 A242 L243 F248 N249 | Y207-V245 HydrophobicContact CE1-CG2 4.02Å; T241-V245 PolarHBondContact O-N 3.19Å; A242-V245 PolarHBondContact O-N 3.18Å; L243-V245 VanDerWaalsContact C-N 3.32Å; L243-V245 PolarHBondContact O-N 3.46Å; V245-F248 PolarHBondContact O-N 3.32Å; V245-N249 PolarHBondContact O-N 2.87Å; V245-N249 VanDerWaalsContact O-N 3.11Å |
| 246 | A | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A214 A242 L243 F248 N249 G250 Q251 V254 V255 L258 | A214-A246 HydrophobicContact CB-CB 4.3Å; A242-A246 WeakPolarHBondContact O-CB 3.26Å; A242-A246 PolarHBondContact O-N 3.25Å; L243-A246 PolarHBondContact O-N 2.97Å; A246-F248 PolarHBondContact O-N 2.9Å; A246-N249 PolarHBondContact O-N 3.48Å; A246-G250 PolarHBondContact O-N 3.1Å; A246-Q251 HydrophobicContact CB-CB 4.3Å; A246-Q251 PolarHBondContact O-N 2.84Å; A246-V254 HydrophobicContact CB-CG1 4.06Å; A246-V255 HydrophobicContact CB-CG2 3.69Å; A246-L258 HydrophobicContact CB-CD1 4.34Å |
| 247 | C | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 177.1 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | L243 H244 G250 F278 A279 S282 | L243-C247 WeakPolarHBondContact O-CB 3.26Å; L243-C247 PolarHBondContact O-N 3.17Å; L243-C247 PolarHBondContact O-SG 2.98Å; H244-C247 PolarHBondContact O-N 3.14Å; C247-G250 PolarHBondContact O-N 3.17Å; C247-F278 HydrophobicContact CB-CB 4.39Å; C247-A279 HydrophobicContact CB-CB 4.09Å; C247-S282 WeakPolarHBondContact O-CB 3.46Å |
| 248 | F | 95.8 | Very high | 96.5 | Very high | 99 Ų | 99 | 24.5 Ų | 24.5 | 43% | 0.434 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 178 | -169.4 | -111.1 | 0 | 0 | 0 | 112.7 | H244 V245 A246 G250 F278 S282 | H244-F248 PolarHBondContact O-N 3Å; V245-F248 PolarHBondContact O-N 3.32Å; A246-F248 PolarHBondContact O-N 2.9Å; F248-G250 VanDerWaalsContact C-N 3.26Å; F248-G250 PolarHBondContact O-N 3.47Å; F248-F278 HydrophobicContact CB-CB 4.22Å; F248-F278 HydrophobicContact CB-CD1 3.77Å; F248-F278 HydrophobicContact CB-CG 4.48Å; F248-F278 HydrophobicContact CD2-CB 4.5Å; F248-F278 AromaticContact CD2-CD1 3.73Å; F248-F278 HydrophobicContact CD2-CD1 3.73Å; F248-F278 AromaticContact CG-CD1 3.94Å; F248-F278 HydrophobicContact CG-CD1 3.94Å; F248-S282 WeakPolarHBondContact O-CB 3.3Å; F248-S282 PolarHBondContact O-OG 3.3Å |
| 249 | N | 95.3 | Very high | 96.6 | Very high | 55 Ų | 55 | 21.1 Ų | 21.1 | 29% | 0.294 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -82.5 | -5.6 | -179.4 | -66.7 | -18.3 | 0 | 0 | 0 | 112.9 | S215 V245 A246 Q251 | S215-N249 WeakPolarHBondContact CA-ND2 3.4Å; S215-N249 PolarHBondContact O-ND2 3.15Å; S215-N249 PolarHBondContact OG-ND2 3.49Å; V245-N249 PolarHBondContact O-N 2.87Å; V245-N249 VanDerWaalsContact O-N 3.11Å; A246-N249 PolarHBondContact O-N 3.48Å; N249-Q251 HydrophobicContact CB-CG 4.05Å |
| 250 | G | 94.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 9% | 0.093 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 33.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A246 C247 F248 D252 | A246-G250 PolarHBondContact O-N 3.1Å; C247-G250 PolarHBondContact O-N 3.17Å; F248-G250 VanDerWaalsContact C-N 3.26Å; F248-G250 PolarHBondContact O-N 3.47Å; G250-D252 PolarHBondContact O-N 3.31Å |
| 251 | Q | 96.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 29.9 Ų | 29.9 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | trans | -87.4 | 74.9 | -178.9 | -56.3 | -64.5 | -3.8 | 0 | 0 | 110.7 | G217 A246 N249 A253 V254 V255 | G217-Q251 VanDerWaalsContact CA-CD 3.41Å; A246-Q251 HydrophobicContact CB-CB 4.3Å; A246-Q251 PolarHBondContact O-N 2.84Å; N249-Q251 HydrophobicContact CB-CG 4.05Å; Q251-A253 PolarHBondContact O-N 3.03Å; Q251-V254 HydrophobicContact CB-CB 4.13Å; Q251-V254 HydrophobicContact CB-CG2 4.42Å; Q251-V254 PolarHBondContact O-N 2.82Å; Q251-V255 WeakPolarHBondContact O-CG2 3.37Å; Q251-V255 PolarHBondContact O-N 3.48Å | ||
| 252 | D | 95.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 33% | 0.326 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.9 | -41.5 | -171 | 62.8 | -63.6 | 0 | 0 | 0 | 113.6 | G250 V254 V255 S256 L287 C288 F291 | G250-D252 PolarHBondContact O-N 3.31Å; D252-V254 VanDerWaalsContact C-N 3.33Å; D252-V254 PolarHBondContact O-N 2.97Å; D252-V255 PolarHBondContact O-N 2.89Å; D252-S256 PolarHBondContact O-N 3.37Å; D252-L287 HydrophobicContact CB-CB 3.89Å; D252-L287 HydrophobicContact CB-CD1 4.44Å; D252-C288 VanDerWaalsContact CA-SG 3.56Å; D252-F291 HydrophobicContact CB-CD2 4.46Å; D252-F291 HydrophobicContact CB-CE2 4.08Å |
| 253 | A | 96.6 | Very high | 96.1 | Very high | 49 Ų | 49 | 32.9 Ų | 32.9 | 41% | 0.405 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.2 | -37.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L219 Q251 E257 | L219-A253 HydrophobicContact CD2-CB 4.42Å; Q251-A253 PolarHBondContact O-N 3.03Å; A253-E257 PolarHBondContact O-N 3.08Å |
| 254 | V | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.5 | -39.3 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 111 | A214 L219 V222 A246 Q251 D252 E257 L258 | A214-V254 HydrophobicContact CB-CG1 4.04Å; L219-V254 HydrophobicContact CB-CG2 4.42Å; V222-V254 HydrophobicContact CG1-CG1 4.39Å; V222-V254 HydrophobicContact CG2-CG1 4.05Å; V222-V254 HydrophobicContact CG2-CG2 4.38Å; A246-V254 HydrophobicContact CB-CG1 4.06Å; Q251-V254 HydrophobicContact CB-CB 4.13Å; Q251-V254 HydrophobicContact CB-CG2 4.42Å; Q251-V254 PolarHBondContact O-N 2.82Å; D252-V254 VanDerWaalsContact C-N 3.33Å; D252-V254 PolarHBondContact O-N 2.97Å; V254-E257 PolarHBondContact O-N 2.73Å; V254-L258 HydrophobicContact CG1-CD1 3.74Å; V254-L258 HydrophobicContact CG1-CG 4.1Å; V254-L258 WeakPolarHBondContact O-CB 3.31Å; V254-L258 VanDerWaalsContact O-CG 3.3Å; V254-L258 WeakPolarHBondContact O-CG 3.42Å; V254-L258 PolarHBondContact O-N 3.1Å |
| 255 | V | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 175.8 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | L243 A246 Q251 D252 E257 L258 I259 C288 F291 | L243-V255 HydrophobicContact CD1-CB 4.34Å; L243-V255 HydrophobicContact CD1-CG1 3.96Å; L243-V255 HydrophobicContact CD1-CG2 4.22Å; A246-V255 HydrophobicContact CB-CG2 3.69Å; Q251-V255 WeakPolarHBondContact O-CG2 3.37Å; Q251-V255 PolarHBondContact O-N 3.48Å; D252-V255 PolarHBondContact O-N 2.89Å; V255-E257 PolarHBondContact O-N 2.92Å; V255-L258 PolarHBondContact O-N 2.95Å; V255-I259 HydrophobicContact CG1-CD1 3.77Å; V255-I259 VanDerWaalsContact O-CG1 3.25Å; V255-I259 WeakPolarHBondContact O-CG1 3.36Å; V255-I259 PolarHBondContact O-N 2.78Å; V255-C288 HydrophobicContact CG1-CB 4.42Å; V255-C288 HydrophobicContact CG2-CB 4.17Å; V255-F291 HydrophobicContact CG1-CB 4.35Å |
| 256 | S | 96.8 | Very high | 95.9 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56.6 | -50.2 | 176.1 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | D252 L258 I259 D260 | D252-S256 PolarHBondContact O-N 3.37Å; S256-L258 PolarHBondContact O-N 3.31Å; S256-I259 PolarHBondContact O-N 3.41Å; S256-D260 PolarHBondContact O-N 3.38Å |
| 257 | E | 96.8 | Very high | 95.7 | Very high | 27 Ų | 27 | 41.2 Ų | 41.2 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | -178.3 | -163.5 | 79.9 | -173.7 | 0 | 0 | 112.6 | L219 K223 A253 V254 V255 I259 D260 Y261 | L219-E257 HydrophobicContact CD1-CB 3.65Å; L219-E257 HydrophobicContact CD1-CG 3.9Å; K223-E257 WeakPolarHBondContact CE-OE1 3.28Å; K223-E257 WeakPolarHBondContact CE-OE2 3.37Å; K223-E257 HydrophobicContact CG-CG 3.89Å; K223-E257 WeakPolarHBondContact CG-OE1 3.27Å; K223-E257 IonicContact NZ-OE1 3.16Å; K223-E257 PolarHBondContact NZ-OE1 3.35Å; K223-E257 IonicContact NZ-OE2 2.76Å; K223-E257 PolarHBondContact NZ-OE2 3.23Å; A253-E257 PolarHBondContact O-N 3.08Å; V254-E257 PolarHBondContact O-N 2.73Å; V255-E257 PolarHBondContact O-N 2.92Å; E257-I259 VanDerWaalsContact C-N 3.31Å; E257-I259 PolarHBondContact O-N 3.18Å; E257-D260 PolarHBondContact O-N 3.08Å; E257-Y261 HydrophobicContact CG-CD2 4.14Å; E257-Y261 HydrophobicContact CG-CE2 4.05Å; E257-Y261 VanDerWaalsContact O-CD2 3.28Å; E257-Y261 WeakPolarHBondContact O-CD2 3.39Å; E257-Y261 PolarHBondContact O-N 2.91Å; E257-Y261 VanDerWaalsContact O-N 3.08Å; E257-Y261 VanDerWaalsContact OE1-CE2 3.29Å; E257-Y261 WeakPolarHBondContact OE1-CE2 3.25Å |
| 258 | L | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.7 | -74.2 | 170.7 | 0 | 0 | 0 | 111.1 | V222 L226 I232 A242 L243 A246 V254 V255 S256 Y261 G262 A263 | V222-L258 HydrophobicContact CG1-CD2 4.16Å; V222-L258 HydrophobicContact CG1-CG 4.47Å; L226-L258 HydrophobicContact CD1-CD2 4.17Å; L226-L258 HydrophobicContact CD2-CD2 4.29Å; I232-L258 HydrophobicContact CG2-CD2 4.12Å; A242-L258 HydrophobicContact CB-CD1 4.25Å; L243-L258 HydrophobicContact CB-CD1 4.34Å; L243-L258 HydrophobicContact CD1-CB 4.19Å; L243-L258 HydrophobicContact CD1-CD1 4.29Å; A246-L258 HydrophobicContact CB-CD1 4.34Å; V254-L258 HydrophobicContact CG1-CD1 3.74Å; V254-L258 HydrophobicContact CG1-CG 4.1Å; V254-L258 WeakPolarHBondContact O-CB 3.31Å; V254-L258 VanDerWaalsContact O-CG 3.3Å; V254-L258 WeakPolarHBondContact O-CG 3.42Å; V254-L258 PolarHBondContact O-N 3.1Å; V255-L258 PolarHBondContact O-N 2.95Å; S256-L258 PolarHBondContact O-N 3.31Å; L258-Y261 PolarHBondContact O-N 2.88Å; L258-G262 PolarHBondContact O-N 3.34Å; L258-A263 HydrophobicContact CB-CB 4.06Å; L258-A263 WeakPolarHBondContact O-CB 3.28Å; L258-A263 PolarHBondContact O-N 3.41Å |
| 259 | I | 96 | Very high | 95.7 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.4 | -66 | 169.6 | 0 | 0 | 0 | 110.7 | L243 V255 S256 E257 Y261 G262 V265 F291 L292 N295 | L243-I259 HydrophobicContact CD1-CG1 4.28Å; V255-I259 HydrophobicContact CG1-CD1 3.77Å; V255-I259 VanDerWaalsContact O-CG1 3.25Å; V255-I259 WeakPolarHBondContact O-CG1 3.36Å; V255-I259 PolarHBondContact O-N 2.78Å; S256-I259 PolarHBondContact O-N 3.41Å; E257-I259 VanDerWaalsContact C-N 3.31Å; E257-I259 PolarHBondContact O-N 3.18Å; I259-Y261 VanDerWaalsContact C-N 3.25Å; I259-Y261 PolarHBondContact O-N 3.19Å; I259-G262 WeakPolarHBondContact O-CA 3.47Å; I259-G262 PolarHBondContact O-N 3.37Å; I259-V265 HydrophobicContact CD1-CG1 4.1Å; I259-V265 HydrophobicContact CG1-CG1 3.9Å; I259-V265 HydrophobicContact CG2-CG1 4.4Å; I259-F291 HydrophobicContact CD1-CB 4.4Å; I259-L292 HydrophobicContact CD1-CD2 4.09Å; I259-N295 HydrophobicContact CG2-CB 4.05Å |
| 260 | D | 94.9 | Very high | 95.8 | Very high | 113 Ų | 113 | 42.5 Ų | 42.5 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62 | -32.2 | 178.7 | -68.6 | -26.8 | 0 | 0 | 0 | 112.6 | S256 E257 G262 | S256-D260 PolarHBondContact O-N 3.38Å; E257-D260 PolarHBondContact O-N 3.08Å; D260-G262 VanDerWaalsContact C-N 3.26Å; D260-G262 PolarHBondContact O-N 3.09Å |
| 261 | Y | 94.6 | Very high | 95.8 | Very high | 90 Ų | 90 | 48.4 Ų | 48.4 | 35% | 0.353 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 2.6 | 173 | -82.2 | -108 | 0 | 0 | 0 | 113.7 | L226 I232 E257 L258 I259 | L226-Y261 HydrophobicContact CB-CD1 3.76Å; L226-Y261 HydrophobicContact CB-CE1 3.82Å; L226-Y261 HydrophobicContact CB-CG 4.33Å; L226-Y261 HydrophobicContact CD1-CD1 4.13Å; L226-Y261 HydrophobicContact CD1-CD2 4Å; L226-Y261 HydrophobicContact CD1-CE2 4.44Å; L226-Y261 HydrophobicContact CD1-CG 3.82Å; L226-Y261 HydrophobicContact CG-CD1 4.46Å; I232-Y261 WeakPolarHBondContact CD1-O 3.41Å; E257-Y261 HydrophobicContact CG-CD2 4.14Å; E257-Y261 HydrophobicContact CG-CE2 4.05Å; E257-Y261 VanDerWaalsContact O-CD2 3.28Å; E257-Y261 WeakPolarHBondContact O-CD2 3.39Å; E257-Y261 PolarHBondContact O-N 2.91Å; E257-Y261 VanDerWaalsContact O-N 3.08Å; E257-Y261 VanDerWaalsContact OE1-CE2 3.29Å; E257-Y261 WeakPolarHBondContact OE1-CE2 3.25Å; L258-Y261 PolarHBondContact O-N 2.88Å; I259-Y261 VanDerWaalsContact C-N 3.25Å; I259-Y261 PolarHBondContact O-N 3.19Å |
| 262 | G | 93.3 | Very high | 95.7 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 58% | 0.577 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | 21.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L258 I259 D260 | L258-G262 PolarHBondContact O-N 3.34Å; I259-G262 WeakPolarHBondContact O-CA 3.47Å; I259-G262 PolarHBondContact O-N 3.37Å; D260-G262 VanDerWaalsContact C-N 3.26Å; D260-G262 PolarHBondContact O-N 3.09Å |
| 263 | A | 95.8 | Very high | 95.8 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | trans | -58.5 | 139.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | I232 L243 L258 V265 | I232-A263 HydrophobicContact CG2-CB 3.71Å; L243-A263 HydrophobicContact CD2-CB 4.12Å; L258-A263 HydrophobicContact CB-CB 4.06Å; L258-A263 WeakPolarHBondContact O-CB 3.28Å; L258-A263 PolarHBondContact O-N 3.41Å; A263-V265 PolarHBondContact O-N 3.48Å | ||
| 264 | N | 95.6 | Very high | 95.8 | Very high | 62 Ų | 62 | 42.5 Ų | 42.5 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | trans | -74.1 | 103.5 | -178.8 | -175.7 | -7 | 0 | 0 | 0 | 112.3 | D233 S266 Q267 | D233-N264 PolarHBondContact OD1-N 3.46Å; D233-N264 VanDerWaalsContact OD1-N 3.1Å; D233-N264 VanDerWaalsContact OD2-CB 3.22Å; D233-N264 WeakPolarHBondContact OD2-CB 3.11Å; D233-N264 PolarHBondContact OD2-N 2.82Å; N264-S266 PolarHBondContact O-N 3.29Å; N264-S266 VanDerWaalsContact O-N 3.11Å; N264-S266 WeakPolarHBondContact OD1-CA 3.41Å; N264-S266 PolarHBondContact OD1-N 2.87Å; N264-S266 PolarHBondContact OD1-OG 3.01Å; N264-Q267 HydrophobicContact CB-CB 4.12Å; N264-Q267 PolarHBondContact O-N 2.89Å; N264-Q267 PolarHBondContact OD1-N 3.41Å | ||
| 265 | V | 95.9 | Very high | 95.8 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.6 | 178.3 | -60.8 | 0 | 0 | 0 | 0 | 114.4 | L243 I259 A263 P275 L292 N295 | L243-V265 HydrophobicContact CD2-CG1 4.43Å; I259-V265 HydrophobicContact CD1-CG1 4.1Å; I259-V265 HydrophobicContact CG1-CG1 3.9Å; I259-V265 HydrophobicContact CG2-CG1 4.4Å; A263-V265 PolarHBondContact O-N 3.48Å; V265-P275 WeakPolarHBondContact O-CD 3.38Å; V265-L292 HydrophobicContact CB-CD2 3.96Å; V265-L292 HydrophobicContact CG1-CD2 3.93Å; V265-N295 HydrophobicContact CG1-CB 4.4Å |
| 266 | S | 94.5 | Very high | 95.8 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -1.2 | -174 | 72 | 0 | 0 | 0 | 0 | 114.2 | N264 P268 | N264-S266 PolarHBondContact O-N 3.29Å; N264-S266 VanDerWaalsContact O-N 3.11Å; N264-S266 WeakPolarHBondContact OD1-CA 3.41Å; N264-S266 PolarHBondContact OD1-N 2.87Å; N264-S266 PolarHBondContact OD1-OG 3.01Å; S266-P268 VanDerWaalsContact O-CD 3.29Å; S266-P268 WeakPolarHBondContact O-CD 3.49Å |
| 267 | Q | 94.6 | Very high | 95.8 | Very high | 37 Ų | 37 | 40.8 Ų | 40.8 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | trans | -62.7 | 121.7 | -173.4 | -174.2 | 171.5 | -1.9 | 0 | 0 | 111.6 | D233 T241 H244 N264 P275 | D233-Q267 VanDerWaalsContact CB-OE1 3.3Å; D233-Q267 PolarHBondContact O-NE2 3.42Å; T241-Q267 HydrophobicContact CG2-CG 4.41Å; H244-Q267 PolarHBondContact CE1-O 3.4Å; H244-Q267 PolarHBondContact NE2-O 3.09Å; H244-Q267 VanDerWaalsContact NE2-O 3.08Å; N264-Q267 HydrophobicContact CB-CB 4.12Å; N264-Q267 PolarHBondContact O-N 2.89Å; N264-Q267 PolarHBondContact OD1-N 3.41Å; Q267-P275 WeakPolarHBondContact O-CD 3.33Å | ||
| 268 | P | 96.1 | Very high | 95.8 | Very high | 79 Ų | 79 | 41.3 Ų | 41.3 | 51% | 0.513 | 23% | 0.231 | S | C | . | . | trans | -84.7 | 142.8 | 175.6 | 31.6 | -31.8 | 0 | 0 | 0 | 111.5 | S266 | S266-P268 VanDerWaalsContact O-CD 3.29Å; S266-P268 WeakPolarHBondContact O-CD 3.49Å | ||
| 269 | N | 96.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 6% | 0.064 | 23% | 0.231 | C | C | . | . | trans | -79 | -174.4 | 169.9 | 77.3 | 4 | 0 | 0 | 0 | 112.9 | G239 N240 K271 G272 F273 F278 | G239-N269 VanDerWaalsContact O-CA 3.3Å; G239-N269 WeakPolarHBondContact O-CA 3.02Å; G239-N269 VanDerWaalsContact O-CB 3.31Å; G239-N269 WeakPolarHBondContact O-CB 3.49Å; N240-N269 VanDerWaalsContact OD1-CB 3.24Å; N240-N269 WeakPolarHBondContact OD1-CB 3.25Å; N240-N269 PolarHBondContact OD1-ND2 3.49Å; N269-K271 PolarHBondContact O-N 3.36Å; N269-K271 WeakPolarHBondContact OD1-CA 3.43Å; N269-K271 PolarHBondContact OD1-N 3.32Å; N269-G272 PolarHBondContact O-N 3.21Å; N269-G272 PolarHBondContact OD1-N 2.72Å; N269-G272 VanDerWaalsContact OD1-N 3.12Å; N269-F273 PolarHBondContact N-O 3.25Å; N269-F273 PolarHBondContact OD1-N 2.86Å; N269-F273 PolarHBondContact OD1-O 3.36Å; N269-F278 WeakPolarHBondContact ND2-CE2 3.19Å | ||
| 270 | N | 96.1 | Very high | 95.8 | Very high | 90 Ų | 90 | 40.4 Ų | 40.4 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -19.1 | -178.1 | -66.6 | -8.5 | 0 | 0 | 0 | 113.9 | A237 F238 G239 R304 | A237-N270 PolarHBondContact O-ND2 3.33Å; F238-N270 VanDerWaalsContact O-CB 3.32Å; F238-N270 WeakPolarHBondContact O-CB 3.47Å; F238-N270 PolarHBondContact O-N 2.94Å; F238-N270 VanDerWaalsContact O-N 3.13Å; G239-N270 WeakPolarHBondContact CA-OD1 3.43Å; G239-N270 PolarHBondContact N-ND2 2.89Å; N270-R304 WeakPolarHBondContact O-CD 3.44Å; N270-R304 PolarHBondContact O-NE 2.96Å; N270-R304 PolarHBondContact O-NH1 2.94Å |
| 271 | K | 94.4 | Very high | 95.8 | Very high | 134 Ų | 134 | 35.3 Ų | 35.3 | 58% | 0.583 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 5.1 | 174.7 | -66 | -172.9 | 179.7 | -173.3 | 0 | 112.7 | N269 F273 R304 | N269-K271 PolarHBondContact O-N 3.36Å; N269-K271 WeakPolarHBondContact OD1-CA 3.43Å; N269-K271 PolarHBondContact OD1-N 3.32Å; K271-F273 VanDerWaalsContact C-N 3.3Å; K271-F273 HydrophobicContact CB-CD2 3.64Å; K271-F273 HydrophobicContact CB-CE2 3.82Å; K271-F273 HydrophobicContact CD-CD2 4.49Å; K271-F273 HydrophobicContact CD-CE2 4.18Å; K271-R304 VanDerWaalsContact O-CB 3.27Å; K271-R304 WeakPolarHBondContact O-CB 3.1Å; K271-R304 WeakPolarHBondContact O-CG 3.25Å; K271-R304 PolarHBondContact O-N 2.94Å |
| 272 | G | 95.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 78.2 | 7.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N269 S303 | N269-G272 PolarHBondContact O-N 3.21Å; N269-G272 PolarHBondContact OD1-N 2.72Å; N269-G272 VanDerWaalsContact OD1-N 3.12Å; G272-S303 WeakPolarHBondContact O-CA 3.46Å |
| 273 | F | 96.9 | Very high | 95.5 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | trans | -79.4 | 129.3 | 175 | -66.6 | -69.3 | 0 | 0 | 0 | 110 | H244 N269 K271 H277 F278 K307 M312 | H244-F273 PolarHBondContact NE2-O 3.06Å; N269-F273 PolarHBondContact N-O 3.25Å; N269-F273 PolarHBondContact OD1-N 2.86Å; N269-F273 PolarHBondContact OD1-O 3.36Å; K271-F273 VanDerWaalsContact C-N 3.3Å; K271-F273 HydrophobicContact CB-CD2 3.64Å; K271-F273 HydrophobicContact CB-CE2 3.82Å; K271-F273 HydrophobicContact CD-CD2 4.49Å; K271-F273 HydrophobicContact CD-CE2 4.18Å; F273-H277 HydrophobicContact CB-CB 4.1Å; F273-H277 HydrophobicContact CD1-CB 3.73Å; F273-H277 AromaticContact CD1-CD2 3.64Å; F273-H277 AromaticContact CD1-CG 3.7Å; F273-H277 HydrophobicContact CG-CB 4.36Å; F273-F278 HydrophobicContact CB-CD2 4.21Å; F273-F278 HydrophobicContact CB-CE2 3.75Å; F273-K307 HydrophobicContact CE1-CB 4.46Å; F273-M312 HydrophobicContact CD1-SD 4.44Å; F273-M312 HydrophobicContact CE1-CE 4.15Å; F273-M312 HydrophobicContact CE1-CG 4.49Å; F273-M312 HydrophobicContact CE1-SD 3.69Å; F273-M312 HydrophobicContact CZ-SD 4.33Å | ||
| 274 | T | 97.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | trans | -88.5 | 168.4 | 172.4 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | L276 H277 F278 V301 | T274-L276 PolarHBondContact O-N 3.34Å; T274-L276 VanDerWaalsContact O-N 3.12Å; T274-H277 PolarHBondContact N-ND1 2.91Å; T274-H277 VanDerWaalsContact N-ND1 3.14Å; T274-H277 WeakPolarHBondContact O-CB 3.13Å; T274-H277 PolarHBondContact O-N 3.18Å; T274-H277 PolarHBondContact OG1-ND1 3.24Å; T274-F278 PolarHBondContact O-N 2.92Å; T274-V301 HydrophobicContact CG2-CG1 4.06Å; T274-V301 HydrophobicContact CG2-CG2 3.84Å | ||
| 275 | P | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.1 | -32.5 | 173.9 | -26.9 | 35.2 | 0 | 0 | 0 | 113.1 | L243 H244 V265 Q267 H277 F278 A279 L292 | L243-P275 HydrophobicContact CD2-CB 4.19Å; L243-P275 HydrophobicContact CD2-CG 3.89Å; L243-P275 HydrophobicContact CG-CB 4.02Å; L243-P275 HydrophobicContact CG-CG 4.03Å; H244-P275 WeakPolarHBondContact NE2-CD 3.36Å; V265-P275 WeakPolarHBondContact O-CD 3.38Å; Q267-P275 WeakPolarHBondContact O-CD 3.33Å; P275-H277 VanDerWaalsContact C-N 3.32Å; P275-H277 PolarHBondContact O-N 3.11Å; P275-F278 PolarHBondContact O-N 3.26Å; P275-A279 WeakPolarHBondContact O-CB 3.35Å; P275-A279 PolarHBondContact O-N 3.23Å; P275-L292 HydrophobicContact CB-CD1 3.95Å; P275-L292 HydrophobicContact CB-CD2 4.12Å |
| 276 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -35.1 | 177.6 | -171.5 | 63.8 | 0 | 0 | 0 | 112.8 | T274 A280 L289 L292 V293 A297 D298 V299 P309 L325 | T274-L276 PolarHBondContact O-N 3.34Å; T274-L276 VanDerWaalsContact O-N 3.12Å; L276-A280 VanDerWaalsContact O-CB 3.3Å; L276-A280 WeakPolarHBondContact O-CB 3.45Å; L276-A280 PolarHBondContact O-N 3.16Å; L276-L289 HydrophobicContact CD1-CB 4.42Å; L276-L289 HydrophobicContact CD1-CD1 4.3Å; L276-L289 HydrophobicContact CD1-CG 3.78Å; L276-L292 HydrophobicContact CB-CD1 4.25Å; L276-L292 HydrophobicContact CD1-CB 4.04Å; L276-L292 HydrophobicContact CD1-CD1 4.2Å; L276-V293 HydrophobicContact CD1-CG2 3.9Å; L276-A297 HydrophobicContact CD2-CB 4.2Å; L276-D298 VanDerWaalsContact CD2-O 3.31Å; L276-D298 WeakPolarHBondContact CD2-O 3.4Å; L276-V299 HydrophobicContact CD2-CG1 4.3Å; L276-P309 HydrophobicContact CD2-CB 4.39Å; L276-P309 HydrophobicContact CD2-CG 3.87Å; L276-P309 HydrophobicContact CG-CB 4.24Å; L276-P309 HydrophobicContact CG-CG 4.01Å; L276-L325 HydrophobicContact CD1-CD2 4.47Å; L276-L325 HydrophobicContact CD2-CD2 4.4Å |
| 277 | H | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.2 | -41.8 | 174 | -69.3 | 95.9 | 0 | 0 | 0 | 112.2 | F273 T274 P275 A280 A281 V301 K307 M312 | F273-H277 HydrophobicContact CB-CB 4.1Å; F273-H277 HydrophobicContact CD1-CB 3.73Å; F273-H277 AromaticContact CD1-CD2 3.64Å; F273-H277 AromaticContact CD1-CG 3.7Å; F273-H277 HydrophobicContact CG-CB 4.36Å; T274-H277 PolarHBondContact N-ND1 2.91Å; T274-H277 VanDerWaalsContact N-ND1 3.14Å; T274-H277 WeakPolarHBondContact O-CB 3.13Å; T274-H277 PolarHBondContact O-N 3.18Å; T274-H277 PolarHBondContact OG1-ND1 3.24Å; P275-H277 VanDerWaalsContact C-N 3.32Å; P275-H277 PolarHBondContact O-N 3.11Å; H277-A280 PolarHBondContact O-N 2.97Å; H277-A281 PolarHBondContact O-N 3.47Å; H277-V301 PolarHBondContact CE1-O 3.11Å; H277-V301 PolarHBondContact NE2-O 3.27Å; H277-K307 PolarHBondContact NE2-O 2.94Å; H277-M312 HydrophobicContact CB-CG 4.2Å |
| 278 | F | 96.4 | Very high | 94.4 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.6 | -40.6 | 177.5 | -82.5 | -100.5 | 0 | 0 | 0 | 111.5 | N240 H244 C247 F248 N269 F273 T274 P275 A281 S282 | N240-F278 WeakPolarHBondContact OD1-CZ 3.21Å; H244-F278 HydrophobicContact CB-CD2 4.47Å; H244-F278 AromaticContact CD2-CD2 3.69Å; H244-F278 AromaticContact CD2-CE2 3.73Å; C247-F278 HydrophobicContact CB-CB 4.39Å; F248-F278 HydrophobicContact CB-CB 4.22Å; F248-F278 HydrophobicContact CB-CD1 3.77Å; F248-F278 HydrophobicContact CB-CG 4.48Å; F248-F278 HydrophobicContact CD2-CB 4.5Å; F248-F278 AromaticContact CD2-CD1 3.73Å; F248-F278 HydrophobicContact CD2-CD1 3.73Å; F248-F278 AromaticContact CG-CD1 3.94Å; F248-F278 HydrophobicContact CG-CD1 3.94Å; N269-F278 WeakPolarHBondContact ND2-CE2 3.19Å; F273-F278 HydrophobicContact CB-CD2 4.21Å; F273-F278 HydrophobicContact CB-CE2 3.75Å; T274-F278 PolarHBondContact O-N 2.92Å; P275-F278 PolarHBondContact O-N 3.26Å; F278-A281 PolarHBondContact O-N 3.46Å; F278-S282 WeakPolarHBondContact O-CB 3.43Å; F278-S282 PolarHBondContact O-N 3.36Å; F278-S282 VanDerWaalsContact O-N 3.12Å |
| 279 | A | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -53.7 | -65.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | C247 P275 A281 S282 C288 L289 L292 R321 | C247-A279 HydrophobicContact CB-CB 4.09Å; P275-A279 WeakPolarHBondContact O-CB 3.35Å; P275-A279 PolarHBondContact O-N 3.23Å; A279-A281 PolarHBondContact O-N 3.45Å; A279-S282 WeakPolarHBondContact O-CB 3.43Å; A279-S282 PolarHBondContact O-N 3.21Å; A279-C288 HydrophobicContact CB-CB 4.47Å; A279-L289 HydrophobicContact CB-CB 3.94Å; A279-L292 HydrophobicContact CB-CD1 4.02Å; A279-R321 PolarHBondContact O-NE 2.65Å; A279-R321 PolarHBondContact O-NH1 3.27Å; A279-R321 PolarHBondContact O-NH2 2.91Å |
| 280 | A | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -47.3 | -32.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | L276 H277 L289 P309 M312 T313 R318 R321 L325 | L276-A280 VanDerWaalsContact O-CB 3.3Å; L276-A280 WeakPolarHBondContact O-CB 3.45Å; L276-A280 PolarHBondContact O-N 3.16Å; H277-A280 PolarHBondContact O-N 2.97Å; A280-L289 HydrophobicContact CB-CD1 4.25Å; A280-P309 HydrophobicContact CB-CB 4.13Å; A280-P309 WeakPolarHBondContact CB-O 3.29Å; A280-M312 HydrophobicContact CB-CB 3.97Å; A280-T313 HydrophobicContact CB-CG2 3.87Å; A280-R318 WeakPolarHBondContact O-CG 3.39Å; A280-R321 PolarHBondContact O-NE 2.64Å; A280-L325 HydrophobicContact CB-CD1 4.49Å |
| 281 | A | 95.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 5% | 0.05 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -79.2 | -32 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | H277 F278 A279 M312 H316 R318 | H277-A281 PolarHBondContact O-N 3.47Å; F278-A281 PolarHBondContact O-N 3.46Å; A279-A281 PolarHBondContact O-N 3.45Å; A281-M312 HydrophobicContact CB-CB 4.46Å; A281-M312 HydrophobicContact CB-CE 4.02Å; A281-H316 VanDerWaalsContact CB-CD2 3.49Å; A281-H316 WeakPolarHBondContact CB-CD2 3.39Å; A281-R318 PolarHBondContact O-NE 2.81Å; A281-R318 PolarHBondContact O-NH2 3.14Å |
| 282 | S | 94 | Very high | 94.3 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | trans | -57 | 146.1 | -174.1 | 178 | 0 | 0 | 0 | 0 | 113.8 | C247 F248 F278 A279 H284 G285 R318 R321 | C247-S282 WeakPolarHBondContact O-CB 3.46Å; F248-S282 WeakPolarHBondContact O-CB 3.3Å; F248-S282 PolarHBondContact O-OG 3.3Å; F278-S282 WeakPolarHBondContact O-CB 3.43Å; F278-S282 PolarHBondContact O-N 3.36Å; F278-S282 VanDerWaalsContact O-N 3.12Å; A279-S282 WeakPolarHBondContact O-CB 3.43Å; A279-S282 PolarHBondContact O-N 3.21Å; S282-H284 PolarHBondContact OG-N 3.5Å; S282-G285 PolarHBondContact OG-N 2.83Å; S282-R318 PolarHBondContact O-NE 3.15Å; S282-R318 VanDerWaalsContact O-NE 3.17Å; S282-R321 PolarHBondContact O-NH1 3.12Å | ||
| 283 | T | 88.6 | Confident | 94.3 | Very high | 85 Ų | 85 | 28.3 Ų | 28.3 | 52% | 0.521 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -68.2 | -40.9 | 172.7 | 48.6 | 0 | 0 | 0 | 0 | 113 | ||
| 284 | H | 87.6 | Confident | 94.2 | Very high | 146 Ų | 146 | 33 Ų | 33 | 68% | 0.676 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -114.9 | -8.3 | -171.6 | -57.8 | -59.2 | 0 | 0 | 0 | 113.9 | S282 A286 | S282-H284 PolarHBondContact OG-N 3.5Å; H284-A286 PolarHBondContact O-N 3.4Å |
| 285 | G | 86.1 | Confident | 94.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 33.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S282 C288 L289 R321 | S282-G285 PolarHBondContact OG-N 2.83Å; G285-C288 WeakPolarHBondContact O-CB 3.5Å; G285-C288 PolarHBondContact O-N 3.49Å; G285-L289 PolarHBondContact O-N 3.06Å; G285-L289 VanDerWaalsContact O-N 3.11Å; G285-R321 VanDerWaalsContact O-CZ 3.23Å; G285-R321 PolarHBondContact O-NH1 2.86Å; G285-R321 VanDerWaalsContact O-NH1 3.1Å; G285-R321 PolarHBondContact O-NH2 2.89Å |
| 286 | A | 91.3 | Very high | 93.8 | Very high | 36 Ų | 36 | 40 Ų | 40 | 30% | 0.298 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.1 | -50.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H284 C288 L289 E290 R321 | H284-A286 PolarHBondContact O-N 3.4Å; A286-C288 VanDerWaalsContact C-N 3.32Å; A286-C288 PolarHBondContact O-N 3.01Å; A286-L289 WeakPolarHBondContact O-CB 3.39Å; A286-L289 PolarHBondContact O-N 3.37Å; A286-L289 VanDerWaalsContact O-N 3.1Å; A286-E290 PolarHBondContact O-N 2.82Å; A286-E290 VanDerWaalsContact O-N 3.16Å; A286-R321 HydrophobicContact CB-CG 4.34Å |
| 287 | L | 93.8 | Very high | 93.7 | Very high | 85 Ų | 85 | 40.4 Ų | 40.4 | 45% | 0.445 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 173.8 | -65.5 | 175.9 | 0 | 0 | 0 | 112.1 | D252 L289 E290 F291 | D252-L287 HydrophobicContact CB-CB 3.89Å; D252-L287 HydrophobicContact CB-CD1 4.44Å; L287-L289 PolarHBondContact O-N 2.83Å; L287-E290 PolarHBondContact O-N 2.81Å; L287-E290 VanDerWaalsContact O-N 3.15Å; L287-F291 HydrophobicContact CB-CE2 4.33Å; L287-F291 VanDerWaalsContact O-CD2 3.26Å; L287-F291 WeakPolarHBondContact O-CD2 3.3Å; L287-F291 PolarHBondContact O-N 3.08Å |
| 288 | C | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58 | -36.7 | 175.1 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | D252 V255 A279 G285 A286 L292 | D252-C288 VanDerWaalsContact CA-SG 3.56Å; V255-C288 HydrophobicContact CG1-CB 4.42Å; V255-C288 HydrophobicContact CG2-CB 4.17Å; A279-C288 HydrophobicContact CB-CB 4.47Å; G285-C288 WeakPolarHBondContact O-CB 3.5Å; G285-C288 PolarHBondContact O-N 3.49Å; A286-C288 VanDerWaalsContact C-N 3.32Å; A286-C288 PolarHBondContact O-N 3.01Å; C288-L292 VanDerWaalsContact O-CG 3.22Å; C288-L292 WeakPolarHBondContact O-CG 3.16Å; C288-L292 PolarHBondContact O-N 3.43Å; C288-L292 VanDerWaalsContact O-N 3.1Å |
| 289 | L | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.1 | -41.7 | 176.7 | 175.5 | 154.1 | 0 | 0 | 0 | 111.7 | L276 A279 A280 G285 A286 L287 L292 V293 R321 T324 L325 | L276-L289 HydrophobicContact CD1-CB 4.42Å; L276-L289 HydrophobicContact CD1-CD1 4.3Å; L276-L289 HydrophobicContact CD1-CG 3.78Å; A279-L289 HydrophobicContact CB-CB 3.94Å; A280-L289 HydrophobicContact CB-CD1 4.25Å; G285-L289 PolarHBondContact O-N 3.06Å; G285-L289 VanDerWaalsContact O-N 3.11Å; A286-L289 WeakPolarHBondContact O-CB 3.39Å; A286-L289 PolarHBondContact O-N 3.37Å; A286-L289 VanDerWaalsContact O-N 3.1Å; L287-L289 PolarHBondContact O-N 2.83Å; L289-L292 PolarHBondContact O-N 3.5Å; L289-V293 HydrophobicContact CD2-CG2 4.21Å; L289-V293 VanDerWaalsContact O-CG2 3.28Å; L289-V293 WeakPolarHBondContact O-CG2 3.45Å; L289-V293 PolarHBondContact O-N 3.36Å; L289-R321 HydrophobicContact CD1-CB 4.2Å; L289-R321 VanDerWaalsContact CD1-NH2 3.3Å; L289-T324 HydrophobicContact CD2-CG2 3.59Å; L289-L325 HydrophobicContact CD1-CD1 4.25Å; L289-L325 HydrophobicContact CD1-CD2 4.09Å; L289-L325 HydrophobicContact CD1-CG 4.07Å; L289-L325 HydrophobicContact CD2-CD2 4.31Å; L289-L325 HydrophobicContact CD2-CG 4.45Å; L289-L325 HydrophobicContact CG-CD2 4.38Å |
| 290 | E | 94.4 | Very high | 93.5 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 174.1 | -69.3 | 176.1 | -166.4 | 0 | 0 | 111.5 | A286 L287 L292 V293 N294 T324 | A286-E290 PolarHBondContact O-N 2.82Å; A286-E290 VanDerWaalsContact O-N 3.16Å; L287-E290 PolarHBondContact O-N 2.81Å; L287-E290 VanDerWaalsContact O-N 3.15Å; E290-L292 PolarHBondContact O-N 3.09Å; E290-V293 PolarHBondContact O-N 2.91Å; E290-N294 VanDerWaalsContact O-CB 3.29Å; E290-N294 WeakPolarHBondContact O-CB 3.46Å; E290-N294 PolarHBondContact O-N 3.47Å; E290-N294 PolarHBondContact O-ND2 3.31Å; E290-T324 HydrophobicContact CG-CG2 4.02Å |
| 291 | F | 95 | Very high | 93.5 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 175.8 | -72.9 | -47.7 | 0 | 0 | 0 | 112.6 | D252 V255 I259 L287 N295 | D252-F291 HydrophobicContact CB-CD2 4.46Å; D252-F291 HydrophobicContact CB-CE2 4.08Å; V255-F291 HydrophobicContact CG1-CB 4.35Å; I259-F291 HydrophobicContact CD1-CB 4.4Å; L287-F291 HydrophobicContact CB-CE2 4.33Å; L287-F291 VanDerWaalsContact O-CD2 3.26Å; L287-F291 WeakPolarHBondContact O-CD2 3.3Å; L287-F291 PolarHBondContact O-N 3.08Å; F291-N295 WeakPolarHBondContact O-CB 3.38Å; F291-N295 PolarHBondContact O-N 3.07Å; F291-N295 VanDerWaalsContact O-N 3.11Å; F291-N295 PolarHBondContact O-ND2 3.25Å |
| 292 | L | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 177.8 | -72 | 171.3 | 0 | 0 | 0 | 112 | L243 I259 V265 P275 L276 A279 C288 L289 E290 N295 G296 A297 | L243-L292 HydrophobicContact CD2-CD2 4.23Å; I259-L292 HydrophobicContact CD1-CD2 4.09Å; V265-L292 HydrophobicContact CB-CD2 3.96Å; V265-L292 HydrophobicContact CG1-CD2 3.93Å; P275-L292 HydrophobicContact CB-CD1 3.95Å; P275-L292 HydrophobicContact CB-CD2 4.12Å; L276-L292 HydrophobicContact CB-CD1 4.25Å; L276-L292 HydrophobicContact CD1-CB 4.04Å; L276-L292 HydrophobicContact CD1-CD1 4.2Å; A279-L292 HydrophobicContact CB-CD1 4.02Å; C288-L292 VanDerWaalsContact O-CG 3.22Å; C288-L292 WeakPolarHBondContact O-CG 3.16Å; C288-L292 PolarHBondContact O-N 3.43Å; C288-L292 VanDerWaalsContact O-N 3.1Å; L289-L292 PolarHBondContact O-N 3.5Å; E290-L292 PolarHBondContact O-N 3.09Å; L292-N295 CarbonylContact O-C 3.42Å; L292-N295 PolarHBondContact O-N 2.99Å; L292-G296 PolarHBondContact O-N 3.43Å; L292-A297 HydrophobicContact CB-CB 3.98Å; L292-A297 WeakPolarHBondContact O-CB 3.39Å; L292-A297 PolarHBondContact O-N 2.91Å |
| 293 | V | 95 | Very high | 93.6 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 179.7 | 173 | 0 | 0 | 0 | 0 | 110.9 | L276 L289 E290 N295 G296 V299 N328 | L276-V293 HydrophobicContact CD1-CG2 3.9Å; L289-V293 HydrophobicContact CD2-CG2 4.21Å; L289-V293 VanDerWaalsContact O-CG2 3.28Å; L289-V293 WeakPolarHBondContact O-CG2 3.45Å; L289-V293 PolarHBondContact O-N 3.36Å; E290-V293 PolarHBondContact O-N 2.91Å; V293-N295 PolarHBondContact O-N 3.18Å; V293-G296 PolarHBondContact O-N 3.42Å; V293-G296 VanDerWaalsContact O-N 3.09Å; V293-V299 HydrophobicContact CG1-CG1 4.29Å; V293-V299 HydrophobicContact CG2-CG1 3.85Å; V293-N328 HydrophobicContact CG1-CB 3.82Å |
| 294 | N | 94.1 | Very high | 93.9 | Very high | 123 Ų | 123 | 55.4 Ų | 55.4 | 66% | 0.658 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.6 | -26 | 177.9 | -69.8 | -21.1 | 0 | 0 | 0 | 113 | E290 G296 | E290-N294 VanDerWaalsContact O-CB 3.29Å; E290-N294 WeakPolarHBondContact O-CB 3.46Å; E290-N294 PolarHBondContact O-N 3.47Å; E290-N294 PolarHBondContact O-ND2 3.31Å; N294-G296 VanDerWaalsContact C-N 3.34Å |
| 295 | N | 94.6 | Very high | 94.2 | Very high | 85 Ų | 85 | 52 Ų | 52 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 22.1 | 175.8 | -73.4 | -79.4 | 0 | 0 | 0 | 113.2 | I259 V265 F291 L292 V293 | I259-N295 HydrophobicContact CG2-CB 4.05Å; V265-N295 HydrophobicContact CG1-CB 4.4Å; F291-N295 WeakPolarHBondContact O-CB 3.38Å; F291-N295 PolarHBondContact O-N 3.07Å; F291-N295 VanDerWaalsContact O-N 3.11Å; F291-N295 PolarHBondContact O-ND2 3.25Å; L292-N295 CarbonylContact O-C 3.42Å; L292-N295 PolarHBondContact O-N 2.99Å; V293-N295 PolarHBondContact O-N 3.18Å |
| 296 | G | 91.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 52.3 Ų | 52.3 | 68% | 0.68 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 19.1 | 169 | 0 | 0 | 0 | 0 | 0 | 115.5 | L292 V293 N294 D298 | L292-G296 PolarHBondContact O-N 3.43Å; V293-G296 PolarHBondContact O-N 3.42Å; V293-G296 VanDerWaalsContact O-N 3.09Å; N294-G296 VanDerWaalsContact C-N 3.34Å; G296-D298 PolarHBondContact O-N 3Å |
| 297 | A | 95.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | trans | -66.6 | 125.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L276 L292 V299 | L276-A297 HydrophobicContact CD2-CB 4.2Å; L292-A297 HydrophobicContact CB-CB 3.98Å; L292-A297 WeakPolarHBondContact O-CB 3.39Å; L292-A297 PolarHBondContact O-N 2.91Å; A297-V299 PolarHBondContact O-N 3.45Å | ||
| 298 | D | 94.9 | Very high | 94.9 | Very high | 94 Ų | 94 | 49.8 Ų | 49.8 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | trans | -65.2 | 120.2 | 175.6 | 179.5 | 8.3 | 0 | 0 | 0 | 110.9 | L276 G296 N300 V301 | L276-D298 VanDerWaalsContact CD2-O 3.31Å; L276-D298 WeakPolarHBondContact CD2-O 3.4Å; G296-D298 PolarHBondContact O-N 3Å; D298-N300 VanDerWaalsContact C-N 3.28Å; D298-N300 PolarHBondContact O-N 3.27Å; D298-N300 PolarHBondContact OD1-N 3.31Å; D298-V301 HydrophobicContact CB-CB 4.45Å; D298-V301 WeakPolarHBondContact O-CG1 3.17Å | ||
| 299 | V | 95.9 | Very high | 95 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.9 | -179.8 | -64.4 | 0 | 0 | 0 | 0 | 113.8 | L276 V293 A297 P309 L325 N328 | L276-V299 HydrophobicContact CD2-CG1 4.3Å; V293-V299 HydrophobicContact CG1-CG1 4.29Å; V293-V299 HydrophobicContact CG2-CG1 3.85Å; A297-V299 PolarHBondContact O-N 3.45Å; V299-P309 WeakPolarHBondContact O-CD 3.42Å; V299-L325 HydrophobicContact CB-CD2 4.16Å; V299-L325 HydrophobicContact CG1-CD2 3.91Å; V299-N328 HydrophobicContact CG1-CB 4.35Å |
| 300 | N | 95.6 | Very high | 95.1 | Very high | 41 Ų | 41 | 50 Ų | 50 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 2.3 | -175.4 | -65.6 | -40.5 | 0 | 0 | 0 | 113.6 | D298 Q302 G329 G330 E331 | D298-N300 VanDerWaalsContact C-N 3.28Å; D298-N300 PolarHBondContact O-N 3.27Å; D298-N300 PolarHBondContact OD1-N 3.31Å; N300-Q302 PolarHBondContact O-N 3.28Å; N300-G329 PolarHBondContact ND2-O 3.23Å; N300-G329 VanDerWaalsContact ND2-O 3.1Å; N300-G330 WeakPolarHBondContact OD1-CA 3.41Å; N300-E331 PolarHBondContact OD1-N 3.45Å |
| 301 | V | 95.3 | Very high | 95.2 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 22% | 0.218 | 25% | 0.247 | C | C | . | . | trans | -54.3 | 131.6 | 176.9 | 62.1 | 0 | 0 | 0 | 0 | 111.1 | T274 H277 D298 S308 P309 | T274-V301 HydrophobicContact CG2-CG1 4.06Å; T274-V301 HydrophobicContact CG2-CG2 3.84Å; H277-V301 PolarHBondContact CE1-O 3.11Å; H277-V301 PolarHBondContact NE2-O 3.27Å; D298-V301 HydrophobicContact CB-CB 4.45Å; D298-V301 WeakPolarHBondContact O-CG1 3.17Å; V301-S308 WeakPolarHBondContact O-CA 3.29Å; V301-P309 HydrophobicContact CG1-CG 4.17Å; V301-P309 WeakPolarHBondContact O-CD 3.46Å | ||
| 302 | Q | 95.6 | Very high | 95.3 | Very high | 92 Ų | 92 | 44.3 Ų | 44.3 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | trans | -105.7 | 138.1 | 179.2 | -66 | -174 | -6.8 | 0 | 0 | 110.9 | N300 | N300-Q302 PolarHBondContact O-N 3.28Š| ||
| 303 | S | 95.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | trans | -66.6 | 175.2 | 171.1 | 83.7 | 0 | 0 | 0 | 0 | 111.7 | G272 D305 G306 K307 | G272-S303 WeakPolarHBondContact O-CA 3.46Å; S303-D305 PolarHBondContact O-N 3.04Å; S303-D305 VanDerWaalsContact O-N 3.08Å; S303-D305 PolarHBondContact OG-N 3.5Å; S303-D305 VanDerWaalsContact OG-N 3.12Å; S303-G306 PolarHBondContact O-N 3.27Å; S303-K307 PolarHBondContact N-O 3.37Å; S303-K307 PolarHBondContact OG-N 3.14Å | ||
| 304 | R | 94.6 | Very high | 95.3 | Very high | 164 Ų | 164 | 43.4 Ų | 43.4 | 62% | 0.619 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.1 | 173 | -70.7 | -177 | 178.5 | -171.8 | -1.7 | 112.5 | N270 K271 G306 K337 | N270-R304 WeakPolarHBondContact O-CD 3.44Å; N270-R304 PolarHBondContact O-NE 2.96Å; N270-R304 PolarHBondContact O-NH1 2.94Å; K271-R304 VanDerWaalsContact O-CB 3.27Å; K271-R304 WeakPolarHBondContact O-CB 3.1Å; K271-R304 WeakPolarHBondContact O-CG 3.25Å; K271-R304 PolarHBondContact O-N 2.94Å; R304-G306 VanDerWaalsContact C-N 3.3Å; R304-K337 WeakPolarHBondContact O-CE 3.14Å; R304-K337 PolarHBondContact O-NZ 2.91Å |
| 305 | D | 93.6 | Very high | 95.3 | Very high | 74 Ų | 74 | 39 Ų | 39 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 7.9 | 175.5 | -61.8 | -31.4 | 0 | 0 | 0 | 112.8 | S303 K307 K337 | S303-D305 PolarHBondContact O-N 3.04Å; S303-D305 VanDerWaalsContact O-N 3.08Å; S303-D305 PolarHBondContact OG-N 3.5Å; S303-D305 VanDerWaalsContact OG-N 3.12Å; D305-K307 HydrophobicContact CB-CD 4.44Å; D305-K307 HydrophobicContact CB-CG 4.29Å; D305-K307 PolarHBondContact O-N 2.91Å; D305-K337 WeakPolarHBondContact O-CB 3.46Å; D305-K337 WeakPolarHBondContact O-CG 3.26Å; D305-K337 PolarHBondContact O-N 3.25Å |
| 306 | G | 94.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 76.3 | 3.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | S303 R304 S308 D336 | S303-G306 PolarHBondContact O-N 3.27Å; R304-G306 VanDerWaalsContact C-N 3.3Å; G306-S308 PolarHBondContact O-N 3.15Å; G306-D336 WeakPolarHBondContact O-CA 3.5Å |
| 307 | K | 95.8 | Very high | 95.3 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | trans | -77.5 | 123.6 | -176.8 | -65.3 | 179.1 | 178.9 | 170.4 | 0 | 110 | F273 H277 S303 D305 H311 D336 | F273-K307 HydrophobicContact CE1-CB 4.46Å; H277-K307 PolarHBondContact NE2-O 2.94Å; S303-K307 PolarHBondContact N-O 3.37Å; S303-K307 PolarHBondContact OG-N 3.14Å; D305-K307 HydrophobicContact CB-CD 4.44Å; D305-K307 HydrophobicContact CB-CG 4.29Å; D305-K307 PolarHBondContact O-N 2.91Å; K307-H311 HydrophobicContact CB-CB 4.1Å; K307-H311 HydrophobicContact CG-CB 4.45Å; K307-D336 HydrophobicContact CG-CB 4.08Å | ||
| 308 | S | 96.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | trans | -83.3 | 166.8 | 170.6 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | V301 G306 L310 H311 M312 S334 | V301-S308 WeakPolarHBondContact O-CA 3.29Å; G306-S308 PolarHBondContact O-N 3.15Å; S308-L310 PolarHBondContact O-N 3.39Å; S308-H311 PolarHBondContact N-ND1 3.11Å; S308-H311 VanDerWaalsContact N-ND1 3.16Å; S308-H311 WeakPolarHBondContact O-CB 3.28Å; S308-H311 PolarHBondContact O-N 3.34Å; S308-H311 PolarHBondContact OG-ND1 3.06Å; S308-M312 PolarHBondContact O-N 3.29Å; S308-S334 PolarHBondContact OG-OG 3.11Å; S308-S334 VanDerWaalsContact OG-OG 3.08Å | ||
| 309 | P | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.3 | -35.5 | 171.4 | -29.6 | 34.7 | 0 | 0 | 0 | 113 | L276 A280 V299 V301 H311 M312 T313 L325 | L276-P309 HydrophobicContact CD2-CB 4.39Å; L276-P309 HydrophobicContact CD2-CG 3.87Å; L276-P309 HydrophobicContact CG-CB 4.24Å; L276-P309 HydrophobicContact CG-CG 4.01Å; A280-P309 HydrophobicContact CB-CB 4.13Å; A280-P309 WeakPolarHBondContact CB-O 3.29Å; V299-P309 WeakPolarHBondContact O-CD 3.42Å; V301-P309 HydrophobicContact CG1-CG 4.17Å; V301-P309 WeakPolarHBondContact O-CD 3.46Å; P309-H311 PolarHBondContact O-N 3.27Å; P309-M312 WeakPolarHBondContact O-CB 3.18Å; P309-M312 PolarHBondContact O-N 3.06Å; P309-M312 VanDerWaalsContact O-N 3.08Å; P309-T313 PolarHBondContact O-N 3.09Å; P309-T313 VanDerWaalsContact O-N 3.07Å; P309-L325 HydrophobicContact CB-CD1 3.79Å; P309-L325 HydrophobicContact CB-CD2 4.23Å |
| 310 | L | 96.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 177.1 | -166.5 | 61.3 | 0 | 0 | 0 | 111.8 | S308 M312 T313 A314 L325 I326 P342 L358 | S308-L310 PolarHBondContact O-N 3.39Å; L310-M312 VanDerWaalsContact C-N 3.29Å; L310-M312 PolarHBondContact O-N 3.4Å; L310-T313 PolarHBondContact O-N 2.91Å; L310-T313 PolarHBondContact O-OG1 2.88Å; L310-A314 PolarHBondContact O-N 3.31Å; L310-L325 HydrophobicContact CD1-CB 4.47Å; L310-L325 HydrophobicContact CD1-CD1 4.47Å; L310-I326 HydrophobicContact CD1-CD1 4.32Å; L310-I326 HydrophobicContact CD1-CG1 4.16Å; L310-I326 HydrophobicContact CD2-CG1 4.26Å; L310-P342 HydrophobicContact CB-CG 4.08Å; L310-P342 HydrophobicContact CD2-CB 4.21Å; L310-P342 HydrophobicContact CD2-CG 3.88Å; L310-P342 HydrophobicContact CG-CB 3.93Å; L310-P342 HydrophobicContact CG-CG 3.83Å; L310-L358 HydrophobicContact CD1-CD2 4.47Å; L310-L358 HydrophobicContact CD2-CD2 4.2Å; L310-L358 HydrophobicContact CG-CD2 4.49Å |
| 311 | H | 96.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -39.5 | 170.7 | -68.9 | 84.7 | 0 | 0 | 0 | 111.9 | K307 S308 P309 T313 A314 V315 S334 N340 P342 | K307-H311 HydrophobicContact CB-CB 4.1Å; K307-H311 HydrophobicContact CG-CB 4.45Å; S308-H311 PolarHBondContact N-ND1 3.11Å; S308-H311 VanDerWaalsContact N-ND1 3.16Å; S308-H311 WeakPolarHBondContact O-CB 3.28Å; S308-H311 PolarHBondContact O-N 3.34Å; S308-H311 PolarHBondContact OG-ND1 3.06Å; P309-H311 PolarHBondContact O-N 3.27Å; H311-T313 VanDerWaalsContact C-N 3.34Å; H311-T313 PolarHBondContact O-N 2.89Å; H311-A314 CarbonylContact O-C 3.53Å; H311-A314 WeakPolarHBondContact O-CA 3.35Å; H311-A314 WeakPolarHBondContact O-CB 3.38Å; H311-A314 PolarHBondContact O-N 3.19Å; H311-V315 WeakPolarHBondContact O-CG2 3.42Å; H311-V315 PolarHBondContact O-N 3.06Å; H311-S334 PolarHBondContact CE1-O 2.92Å; H311-S334 PolarHBondContact NE2-O 2.98Å; H311-N340 PolarHBondContact NE2-O 3.46Å; H311-P342 WeakPolarHBondContact NE2-CD 3.46Å |
| 312 | M | 96.1 | Very high | 94.6 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 14% | 0.138 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 178.4 | -59.8 | -59.3 | -72.1 | 0 | 0 | 111.8 | F273 H277 A280 A281 S308 P309 L310 A314 V315 H316 | F273-M312 HydrophobicContact CD1-SD 4.44Å; F273-M312 HydrophobicContact CE1-CE 4.15Å; F273-M312 HydrophobicContact CE1-CG 4.49Å; F273-M312 HydrophobicContact CE1-SD 3.69Å; F273-M312 HydrophobicContact CZ-SD 4.33Å; H277-M312 HydrophobicContact CB-CG 4.2Å; A280-M312 HydrophobicContact CB-CB 3.97Å; A281-M312 HydrophobicContact CB-CB 4.46Å; A281-M312 HydrophobicContact CB-CE 4.02Å; S308-M312 PolarHBondContact O-N 3.29Å; P309-M312 WeakPolarHBondContact O-CB 3.18Å; P309-M312 PolarHBondContact O-N 3.06Å; P309-M312 VanDerWaalsContact O-N 3.08Å; L310-M312 VanDerWaalsContact C-N 3.29Å; L310-M312 PolarHBondContact O-N 3.4Å; M312-A314 PolarHBondContact O-N 3.08Å; M312-V315 PolarHBondContact O-N 2.86Å; M312-H316 PolarHBondContact O-CD2 3.37Å; M312-H316 PolarHBondContact O-N 3.05Å |
| 313 | T | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -34.9 | 170.8 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | A280 P309 L310 H311 H316 G317 R318 R321 S322 L325 | A280-T313 HydrophobicContact CB-CG2 3.87Å; P309-T313 PolarHBondContact O-N 3.09Å; P309-T313 VanDerWaalsContact O-N 3.07Å; L310-T313 PolarHBondContact O-N 2.91Å; L310-T313 PolarHBondContact O-OG1 2.88Å; H311-T313 VanDerWaalsContact C-N 3.34Å; H311-T313 PolarHBondContact O-N 2.89Å; T313-H316 PolarHBondContact O-N 3.16Å; T313-G317 CarbonylContact O-C 3.53Å; T313-G317 WeakPolarHBondContact O-CA 3.39Å; T313-G317 PolarHBondContact O-N 2.77Å; T313-R318 HydrophobicContact CG2-CB 4.25Å; T313-R318 PolarHBondContact O-N 3.47Å; T313-R321 HydrophobicContact CG2-CB 4.06Å; T313-S322 WeakPolarHBondContact OG1-CB 3.41Å; T313-L325 HydrophobicContact CG2-CD1 3.79Å |
| 314 | A | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.6 | -29.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L310 H311 M312 H316 P342 V345 A346 H351 L354 | L310-A314 PolarHBondContact O-N 3.31Å; H311-A314 CarbonylContact O-C 3.53Å; H311-A314 WeakPolarHBondContact O-CA 3.35Å; H311-A314 WeakPolarHBondContact O-CB 3.38Å; H311-A314 PolarHBondContact O-N 3.19Å; M312-A314 PolarHBondContact O-N 3.08Å; A314-H316 VanDerWaalsContact C-N 3.34Å; A314-P342 HydrophobicContact CB-CB 4.26Å; A314-P342 VanDerWaalsContact CB-O 3.26Å; A314-P342 WeakPolarHBondContact CB-O 3.26Å; A314-V345 HydrophobicContact CB-CB 3.89Å; A314-V345 HydrophobicContact CB-CG1 3.86Å; A314-A346 HydrophobicContact CB-CB 4.16Å; A314-H351 PolarHBondContact O-CD2 2.91Å; A314-L354 HydrophobicContact CB-CD2 3.81Å |
| 315 | V | 95 | Very high | 94.3 | Very high | 31 Ų | 31 | 29.9 Ų | 29.9 | 19% | 0.188 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 171 | 175 | 0 | 0 | 0 | 0 | 110.4 | H311 M312 V345 Y349 H351 | H311-V315 WeakPolarHBondContact O-CG2 3.42Å; H311-V315 PolarHBondContact O-N 3.06Å; M312-V315 PolarHBondContact O-N 2.86Å; V315-V345 HydrophobicContact CB-CG1 4.36Å; V315-V345 HydrophobicContact CG2-CG1 3.58Å; V315-Y349 HydrophobicContact CB-CE2 4.24Å; V315-Y349 HydrophobicContact CG1-CE2 4.02Å; V315-Y349 HydrophobicContact CG2-CE2 4.05Å; V315-H351 PolarHBondContact O-NE2 3.11Å |
| 316 | H | 92.9 | Very high | 94.4 | Very high | 78 Ų | 78 | 27.9 Ų | 27.9 | 36% | 0.361 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -103.5 | 5.2 | -169.5 | -64.4 | -69.9 | 0 | 0 | 0 | 115.1 | A281 M312 T313 A314 R318 | A281-H316 VanDerWaalsContact CB-CD2 3.49Å; A281-H316 WeakPolarHBondContact CB-CD2 3.39Å; M312-H316 PolarHBondContact O-CD2 3.37Å; M312-H316 PolarHBondContact O-N 3.05Å; T313-H316 PolarHBondContact O-N 3.16Å; A314-H316 VanDerWaalsContact C-N 3.34Å; H316-R318 HydrophobicContact CB-CG 3.96Å; H316-R318 PolarHBondContact O-N 2.92Å |
| 317 | G | 92.5 | Very high | 94.3 | Very high | 25 Ų | 25 | 34.7 Ų | 34.7 | 26% | 0.258 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 30.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T313 F319 H351 | T313-G317 CarbonylContact O-C 3.53Å; T313-G317 WeakPolarHBondContact O-CA 3.39Å; T313-G317 PolarHBondContact O-N 2.77Å; G317-F319 VanDerWaalsContact C-N 3.34Å; G317-F319 PolarHBondContact O-N 3.46Å; G317-H351 VanDerWaalsContact CA-CE1 3.48Å; G317-H351 WeakPolarHBondContact CA-CE1 3.47Å; G317-H351 VanDerWaalsContact CA-ND1 3.3Å; G317-H351 WeakPolarHBondContact CA-ND1 3.36Å; G317-H351 PolarHBondContact N-CD2 2.79Å; G317-H351 PolarHBondContact N-CE1 3.27Å; G317-H351 PolarHBondContact N-NE2 2.96Å |
| 318 | R | 93.3 | Very high | 94.2 | Very high | 64 Ų | 64 | 35.3 Ų | 35.3 | 24% | 0.242 | 18% | 0.181 | C | C | . | . | trans | -84.2 | 72.3 | -173.7 | -56.5 | -53.3 | -176 | -153.2 | -9.2 | 112.8 | A280 A281 S282 T313 H316 T320 R321 S322 | A280-R318 WeakPolarHBondContact O-CG 3.39Å; A281-R318 PolarHBondContact O-NE 2.81Å; A281-R318 PolarHBondContact O-NH2 3.14Å; S282-R318 PolarHBondContact O-NE 3.15Å; S282-R318 VanDerWaalsContact O-NE 3.17Å; T313-R318 HydrophobicContact CG2-CB 4.25Å; T313-R318 PolarHBondContact O-N 3.47Å; H316-R318 HydrophobicContact CB-CG 3.96Å; H316-R318 PolarHBondContact O-N 2.92Å; R318-T320 PolarHBondContact O-N 2.99Å; R318-R321 HydrophobicContact CB-CB 4.08Å; R318-R321 HydrophobicContact CB-CG 4.34Å; R318-R321 PolarHBondContact O-N 3.15Å; R318-S322 PolarHBondContact O-N 3.05Å | ||
| 319 | F | 89.9 | Confident | 94 | Very high | 65 Ų | 65 | 37.5 Ų | 37.5 | 29% | 0.285 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -52.8 | -55.2 | -176.5 | 162 | -113 | 0 | 0 | 0 | 114.6 | G317 R321 S322 Q323 T357 | G317-F319 VanDerWaalsContact C-N 3.34Å; G317-F319 PolarHBondContact O-N 3.46Å; F319-R321 PolarHBondContact O-N 3.28Å; F319-S322 WeakPolarHBondContact O-CB 3.46Å; F319-S322 PolarHBondContact O-N 3.31Å; F319-S322 VanDerWaalsContact O-N 3.12Å; F319-S322 PolarHBondContact O-OG 3.13Å; F319-Q323 HydrophobicContact CD2-CG 4.15Å; F319-Q323 HydrophobicContact CE2-CG 3.63Å; F319-Q323 VanDerWaalsContact CE2-NE2 3.26Å; F319-Q323 HydrophobicContact CZ-CG 4.11Å; F319-Q323 PolarHBondContact O-N 3.43Å; F319-Q323 VanDerWaalsContact O-N 3.11Å; F319-T357 HydrophobicContact CD2-CG2 3.9Å; F319-T357 WeakPolarHBondContact CD2-OG1 3.47Å; F319-T357 HydrophobicContact CE2-CG2 3.6Å; F319-T357 WeakPolarHBondContact CE2-OG1 3.45Å |
| 320 | T | 91.1 | Very high | 93.9 | Very high | 83 Ų | 83 | 38 Ų | 38 | 51% | 0.509 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.3 | -39.2 | -177.3 | 50.3 | 0 | 0 | 0 | 0 | 112.4 | R318 Q323 T324 | R318-T320 PolarHBondContact O-N 2.99Å; T320-Q323 WeakPolarHBondContact O-CB 3.24Å; T320-Q323 PolarHBondContact O-N 2.91Å; T320-T324 PolarHBondContact O-N 3.33Å; T320-T324 VanDerWaalsContact O-N 3.1Å; T320-T324 PolarHBondContact O-OG1 3.31Å |
| 321 | R | 92.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.5 | -36.1 | -179.5 | -61 | 172.2 | 58.6 | 114.8 | 44.3 | 112.2 | A279 A280 S282 G285 A286 L289 T313 R318 F319 Q323 T324 L325 | A279-R321 PolarHBondContact O-NE 2.65Å; A279-R321 PolarHBondContact O-NH1 3.27Å; A279-R321 PolarHBondContact O-NH2 2.91Å; A280-R321 PolarHBondContact O-NE 2.64Å; S282-R321 PolarHBondContact O-NH1 3.12Å; G285-R321 VanDerWaalsContact O-CZ 3.23Å; G285-R321 PolarHBondContact O-NH1 2.86Å; G285-R321 VanDerWaalsContact O-NH1 3.1Å; G285-R321 PolarHBondContact O-NH2 2.89Å; A286-R321 HydrophobicContact CB-CG 4.34Å; L289-R321 HydrophobicContact CD1-CB 4.2Å; L289-R321 VanDerWaalsContact CD1-NH2 3.3Å; T313-R321 HydrophobicContact CG2-CB 4.06Å; R318-R321 HydrophobicContact CB-CB 4.08Å; R318-R321 HydrophobicContact CB-CG 4.34Å; R318-R321 PolarHBondContact O-N 3.15Å; F319-R321 PolarHBondContact O-N 3.28Å; R321-Q323 VanDerWaalsContact C-N 3.28Å; R321-Q323 PolarHBondContact O-N 3.15Å; R321-T324 PolarHBondContact O-N 3.41Å; R321-L325 WeakPolarHBondContact O-CG 3.31Å; R321-L325 PolarHBondContact O-N 3.25Å |
| 322 | S | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 172.2 | 76.5 | 0 | 0 | 0 | 0 | 111.1 | T313 R318 F319 L325 I326 L354 | T313-S322 WeakPolarHBondContact OG1-CB 3.41Å; R318-S322 PolarHBondContact O-N 3.05Å; F319-S322 WeakPolarHBondContact O-CB 3.46Å; F319-S322 PolarHBondContact O-N 3.31Å; F319-S322 VanDerWaalsContact O-N 3.12Å; F319-S322 PolarHBondContact O-OG 3.13Å; S322-L325 PolarHBondContact O-N 2.97Å; S322-I326 WeakPolarHBondContact O-CB 3.3Å; S322-I326 WeakPolarHBondContact O-CD1 3.27Å; S322-I326 WeakPolarHBondContact O-CG1 3.47Å; S322-I326 PolarHBondContact O-N 3.01Å; S322-L354 WeakPolarHBondContact OG-CD1 3.39Å |
| 323 | Q | 93.2 | Very high | 93.6 | Very high | 70 Ų | 70 | 44.8 Ų | 44.8 | 33% | 0.327 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 175.9 | -65.8 | -175.4 | -49.8 | 0 | 0 | 111.4 | F319 T320 R321 L325 I326 Q327 T357 | F319-Q323 HydrophobicContact CD2-CG 4.15Å; F319-Q323 HydrophobicContact CE2-CG 3.63Å; F319-Q323 VanDerWaalsContact CE2-NE2 3.26Å; F319-Q323 HydrophobicContact CZ-CG 4.11Å; F319-Q323 PolarHBondContact O-N 3.43Å; F319-Q323 VanDerWaalsContact O-N 3.11Å; T320-Q323 WeakPolarHBondContact O-CB 3.24Å; T320-Q323 PolarHBondContact O-N 2.91Å; R321-Q323 VanDerWaalsContact C-N 3.28Å; R321-Q323 PolarHBondContact O-N 3.15Å; Q323-L325 VanDerWaalsContact C-N 3.31Å; Q323-L325 PolarHBondContact O-N 3.02Å; Q323-I326 PolarHBondContact O-N 3.05Å; Q323-Q327 WeakPolarHBondContact O-CB 3.49Å; Q323-Q327 VanDerWaalsContact O-CG 3.22Å; Q323-Q327 WeakPolarHBondContact O-CG 3.41Å; Q323-Q327 PolarHBondContact O-N 2.89Å; Q323-T357 HydrophobicContact CG-CG2 3.72Å |
| 324 | T | 93.1 | Very high | 93.6 | Very high | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.8 | -44 | 176.2 | -49.2 | 0 | 0 | 0 | 0 | 111.5 | L289 E290 T320 R321 N328 | L289-T324 HydrophobicContact CD2-CG2 3.59Å; E290-T324 HydrophobicContact CG-CG2 4.02Å; T320-T324 PolarHBondContact O-N 3.33Å; T320-T324 VanDerWaalsContact O-N 3.1Å; T320-T324 PolarHBondContact O-OG1 3.31Å; R321-T324 PolarHBondContact O-N 3.41Å; T324-N328 PolarHBondContact O-N 3.43Å; T324-N328 VanDerWaalsContact O-N 3.16Å; T324-N328 PolarHBondContact O-ND2 2.96Å |
| 325 | L | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 177.5 | -70.6 | 172.1 | 0 | 0 | 0 | 112 | L276 A280 L289 V299 P309 L310 T313 R321 S322 Q323 N328 G329 G330 | L276-L325 HydrophobicContact CD1-CD2 4.47Å; L276-L325 HydrophobicContact CD2-CD2 4.4Å; A280-L325 HydrophobicContact CB-CD1 4.49Å; L289-L325 HydrophobicContact CD1-CD1 4.25Å; L289-L325 HydrophobicContact CD1-CD2 4.09Å; L289-L325 HydrophobicContact CD1-CG 4.07Å; L289-L325 HydrophobicContact CD2-CD2 4.31Å; L289-L325 HydrophobicContact CD2-CG 4.45Å; L289-L325 HydrophobicContact CG-CD2 4.38Å; V299-L325 HydrophobicContact CB-CD2 4.16Å; V299-L325 HydrophobicContact CG1-CD2 3.91Å; P309-L325 HydrophobicContact CB-CD1 3.79Å; P309-L325 HydrophobicContact CB-CD2 4.23Å; L310-L325 HydrophobicContact CD1-CB 4.47Å; L310-L325 HydrophobicContact CD1-CD1 4.47Å; T313-L325 HydrophobicContact CG2-CD1 3.79Å; R321-L325 WeakPolarHBondContact O-CG 3.31Å; R321-L325 PolarHBondContact O-N 3.25Å; S322-L325 PolarHBondContact O-N 2.97Å; Q323-L325 VanDerWaalsContact C-N 3.31Å; Q323-L325 PolarHBondContact O-N 3.02Å; L325-N328 CarbonylContact O-C 3.6Å; L325-N328 PolarHBondContact O-N 3.44Å; L325-G329 PolarHBondContact O-N 3.27Å; L325-G330 WeakPolarHBondContact O-CA 3.44Å; L325-G330 PolarHBondContact O-N 3.48Å |
| 326 | I | 94.5 | Very high | 93.5 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 16% | 0.159 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 179 | -67.3 | 165 | 0 | 0 | 0 | 110.8 | L310 S322 Q323 N328 G329 I332 L358 | L310-I326 HydrophobicContact CD1-CD1 4.32Å; L310-I326 HydrophobicContact CD1-CG1 4.16Å; L310-I326 HydrophobicContact CD2-CG1 4.26Å; S322-I326 WeakPolarHBondContact O-CB 3.3Å; S322-I326 WeakPolarHBondContact O-CD1 3.27Å; S322-I326 WeakPolarHBondContact O-CG1 3.47Å; S322-I326 PolarHBondContact O-N 3.01Å; Q323-I326 PolarHBondContact O-N 3.05Å; I326-N328 PolarHBondContact O-N 3.2Å; I326-G329 PolarHBondContact O-N 3.27Å; I326-G329 VanDerWaalsContact O-N 3.11Å; I326-I332 HydrophobicContact CD1-CG1 4.48Å; I326-I332 HydrophobicContact CG1-CG1 4.16Å; I326-I332 HydrophobicContact CG2-CD1 4.09Å; I326-I332 HydrophobicContact CG2-CG1 4.35Å; I326-L358 HydrophobicContact CD1-CD2 4.08Å |
| 327 | Q | 93.6 | Very high | 93.6 | Very high | 150 Ų | 150 | 51.8 Ų | 51.8 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.3 | -29.1 | 177.7 | -74 | 172 | -0.3 | 0 | 0 | 112.8 | Q323 G329 | Q323-Q327 WeakPolarHBondContact O-CB 3.49Å; Q323-Q327 VanDerWaalsContact O-CG 3.22Å; Q323-Q327 WeakPolarHBondContact O-CG 3.41Å; Q323-Q327 PolarHBondContact O-N 2.89Å; Q327-G329 VanDerWaalsContact C-N 3.34Å |
| 328 | N | 93.9 | Very high | 93.5 | Very high | 78 Ų | 78 | 55.3 Ų | 55.3 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 22.1 | 177.2 | -71.4 | -74.8 | 0 | 0 | 0 | 113.3 | V293 V299 T324 L325 I326 | V293-N328 HydrophobicContact CG1-CB 3.82Å; V299-N328 HydrophobicContact CG1-CB 4.35Å; T324-N328 PolarHBondContact O-N 3.43Å; T324-N328 VanDerWaalsContact O-N 3.16Å; T324-N328 PolarHBondContact O-ND2 2.96Å; L325-N328 CarbonylContact O-C 3.6Å; L325-N328 PolarHBondContact O-N 3.44Å; I326-N328 PolarHBondContact O-N 3.2Å |
| 329 | G | 92.6 | Very high | 93.4 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 50% | 0.495 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | 21.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N300 L325 I326 Q327 | N300-G329 PolarHBondContact ND2-O 3.23Å; N300-G329 VanDerWaalsContact ND2-O 3.1Å; L325-G329 PolarHBondContact O-N 3.27Å; I326-G329 PolarHBondContact O-N 3.27Å; I326-G329 VanDerWaalsContact O-N 3.11Å; Q327-G329 VanDerWaalsContact C-N 3.34Å |
| 330 | G | 94.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | trans | -64.9 | 128.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | N300 L325 I332 | N300-G330 WeakPolarHBondContact OD1-CA 3.41Å; L325-G330 WeakPolarHBondContact O-CA 3.44Å; L325-G330 PolarHBondContact O-N 3.48Å; G330-I332 PolarHBondContact O-N 3.03Å; G330-I332 VanDerWaalsContact O-N 3.15Å | ||
| 331 | E | 94.9 | Very high | 93.9 | Very high | 110 Ų | 110 | 46.1 Ų | 46.1 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | trans | -71.6 | 104.1 | 177.7 | -72.3 | 179.4 | -167.1 | 0 | 0 | 111.4 | N300 D333 S334 | N300-E331 PolarHBondContact OD1-N 3.45Å; E331-D333 VanDerWaalsContact C-N 3.34Å; E331-D333 PolarHBondContact O-N 2.96Å; E331-S334 WeakPolarHBondContact O-CB 3.2Å; E331-S334 PolarHBondContact O-N 2.97Å; E331-S334 PolarHBondContact O-OG 2.81Å | ||
| 332 | I | 94.9 | Very high | 94.1 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -40.4 | -175.2 | -60 | 172.5 | 0 | 0 | 0 | 112.3 | I326 G330 P342 L358 S361 A363 | I326-I332 HydrophobicContact CD1-CG1 4.48Å; I326-I332 HydrophobicContact CG1-CG1 4.16Å; I326-I332 HydrophobicContact CG2-CD1 4.09Å; I326-I332 HydrophobicContact CG2-CG1 4.35Å; G330-I332 PolarHBondContact O-N 3.03Å; G330-I332 VanDerWaalsContact O-N 3.15Å; I332-P342 VanDerWaalsContact O-CD 3.25Å; I332-P342 WeakPolarHBondContact O-CD 3.48Å; I332-P342 WeakPolarHBondContact O-CG 3.46Å; I332-L358 HydrophobicContact CG2-CD2 4.13Å; I332-S361 WeakPolarHBondContact CD1-O 3.32Å; I332-A363 HydrophobicContact CG2-CB 3.49Å; I332-A363 VanDerWaalsContact CG2-CB 3.49Å |
| 333 | D | 93.9 | Very high | 94.2 | Very high | 38 Ų | 38 | 45.9 Ų | 45.9 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 26.2 | -178.3 | -64.1 | -37.3 | 0 | 0 | 0 | 112.9 | E331 T341 D364 R367 | E331-D333 VanDerWaalsContact C-N 3.34Å; E331-D333 PolarHBondContact O-N 2.96Å; D333-T341 HydrophobicContact CB-CG2 4.49Å; D333-D364 PolarHBondContact OD1-N 3Å; D333-D364 VanDerWaalsContact OD1-N 3.09Å; D333-D364 PolarHBondContact OD2-N 2.97Å; D333-R367 PolarHBondContact O-NH1 3.02Å |
| 334 | S | 94.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | trans | -56.7 | 140.9 | 168 | 50.4 | 0 | 0 | 0 | 0 | 109.6 | S308 H311 E331 T341 P342 | S308-S334 PolarHBondContact OG-OG 3.11Å; S308-S334 VanDerWaalsContact OG-OG 3.08Å; H311-S334 PolarHBondContact CE1-O 2.92Å; H311-S334 PolarHBondContact NE2-O 2.98Å; E331-S334 WeakPolarHBondContact O-CB 3.2Å; E331-S334 PolarHBondContact O-N 2.97Å; E331-S334 PolarHBondContact O-OG 2.81Å; S334-T341 WeakPolarHBondContact O-CA 3.44Å; S334-P342 VanDerWaalsContact O-CD 3.25Å; S334-P342 WeakPolarHBondContact O-CD 3.5Å | ||
| 335 | M | 94.9 | Very high | 94.5 | Very high | 88 Ų | 88 | 41.9 Ų | 41.9 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | trans | -113 | 136 | -176.8 | -63.2 | -179 | -57.8 | 0 | 0 | 110.6 | N340 T341 | M335-N340 WeakPolarHBondContact CA-O 3.36Å; M335-T341 HydrophobicContact CG-CG2 4.03Å | ||
| 336 | D | 94.6 | Very high | 94.5 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | trans | -74 | 177.7 | 166.8 | 74.3 | 10.7 | 0 | 0 | 0 | 112 | G306 K307 D338 G339 N340 | G306-D336 WeakPolarHBondContact O-CA 3.5Å; K307-D336 HydrophobicContact CG-CB 4.08Å; D336-D338 PolarHBondContact O-N 3.03Å; D336-D338 WeakPolarHBondContact OD1-CA 3.39Å; D336-D338 WeakPolarHBondContact OD1-CB 3.38Å; D336-D338 PolarHBondContact OD1-N 2.98Å; D336-G339 WeakPolarHBondContact O-CA 3.36Å; D336-G339 PolarHBondContact O-N 3.47Å; D336-G339 PolarHBondContact OD1-N 3.07Å; D336-G339 VanDerWaalsContact OD1-N 3.1Å; D336-N340 PolarHBondContact N-O 2.92Å; D336-N340 WeakPolarHBondContact OD1-CB 3.18Å; D336-N340 PolarHBondContact OD1-N 2.83Å | ||
| 337 | K | 93.6 | Very high | 94.6 | Very high | 151 Ų | 151 | 40.4 Ų | 40.4 | 66% | 0.657 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.6 | 178.2 | -83.8 | -172.9 | 172.7 | 168.1 | 0 | 114.4 | R304 D305 | R304-K337 WeakPolarHBondContact O-CE 3.14Å; R304-K337 PolarHBondContact O-NZ 2.91Å; D305-K337 WeakPolarHBondContact O-CB 3.46Å; D305-K337 WeakPolarHBondContact O-CG 3.26Å; D305-K337 PolarHBondContact O-N 3.25Å |
| 338 | D | 90.4 | Very high | 94.6 | Very high | 98 Ų | 98 | 36.7 Ų | 36.7 | 52% | 0.524 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 0.3 | 177.7 | -61.9 | -35.9 | 0 | 0 | 0 | 111.7 | D336 N340 V370 | D336-D338 PolarHBondContact O-N 3.03Å; D336-D338 WeakPolarHBondContact OD1-CA 3.39Å; D336-D338 WeakPolarHBondContact OD1-CB 3.38Å; D336-D338 PolarHBondContact OD1-N 2.98Å; D338-N340 VanDerWaalsContact C-N 3.3Å; D338-N340 WeakPolarHBondContact CB-ND2 3.31Å; D338-V370 HydrophobicContact CB-CB 4.35Å; D338-V370 WeakPolarHBondContact O-CA 3.44Å; D338-V370 PolarHBondContact O-N 3.45Å |
| 339 | G | 92.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 80.7 | 4.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | D336 G369 | D336-G339 WeakPolarHBondContact O-CA 3.36Å; D336-G339 PolarHBondContact O-N 3.47Å; D336-G339 PolarHBondContact OD1-N 3.07Å; D336-G339 VanDerWaalsContact OD1-N 3.1Å; G339-G369 WeakPolarHBondContact O-CA 3.26Å |
| 340 | N | 95.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -76.3 | 136.5 | -179.5 | -58.2 | -56.1 | 0 | 0 | 0 | 110.1 | H311 M335 D336 D338 H344 V345 V370 | H311-N340 PolarHBondContact NE2-O 3.46Å; M335-N340 WeakPolarHBondContact CA-O 3.36Å; D336-N340 PolarHBondContact N-O 2.92Å; D336-N340 WeakPolarHBondContact OD1-CB 3.18Å; D336-N340 PolarHBondContact OD1-N 2.83Å; D338-N340 VanDerWaalsContact C-N 3.3Å; D338-N340 WeakPolarHBondContact CB-ND2 3.31Å; N340-H344 HydrophobicContact CB-CB 3.81Å; N340-V345 HydrophobicContact CB-CG2 4.39Å; N340-V370 PolarHBondContact OD1-N 3.1Å; N340-V370 VanDerWaalsContact OD1-N 3.08Å | ||
| 341 | T | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -88 | 167.1 | 168 | 67 | 0 | 0 | 0 | 0 | 111.1 | D333 S334 M335 L343 H344 V345 R367 | D333-T341 HydrophobicContact CB-CG2 4.49Å; S334-T341 WeakPolarHBondContact O-CA 3.44Å; M335-T341 HydrophobicContact CG-CG2 4.03Å; T341-L343 PolarHBondContact O-N 3.03Å; T341-L343 VanDerWaalsContact O-N 3.09Å; T341-H344 PolarHBondContact N-ND1 2.99Å; T341-H344 WeakPolarHBondContact O-CB 3.49Å; T341-H344 PolarHBondContact O-N 3.29Å; T341-H344 PolarHBondContact OG1-ND1 3.39Å; T341-V345 PolarHBondContact O-N 3.44Å; T341-V345 VanDerWaalsContact O-N 3.14Å; T341-R367 HydrophobicContact CG2-CB 4.16Å; T341-R367 HydrophobicContact CG2-CG 4.24Å | ||
| 342 | P | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -51.9 | -33 | 171.6 | -28.9 | 35.6 | 0 | 0 | 0 | 113.3 | L310 H311 A314 I332 S334 V345 A346 L358 | L310-P342 HydrophobicContact CB-CG 4.08Å; L310-P342 HydrophobicContact CD2-CB 4.21Å; L310-P342 HydrophobicContact CD2-CG 3.88Å; L310-P342 HydrophobicContact CG-CB 3.93Å; L310-P342 HydrophobicContact CG-CG 3.83Å; H311-P342 WeakPolarHBondContact NE2-CD 3.46Å; A314-P342 HydrophobicContact CB-CB 4.26Å; A314-P342 VanDerWaalsContact CB-O 3.26Å; A314-P342 WeakPolarHBondContact CB-O 3.26Å; I332-P342 VanDerWaalsContact O-CD 3.25Å; I332-P342 WeakPolarHBondContact O-CD 3.48Å; I332-P342 WeakPolarHBondContact O-CG 3.46Å; S334-P342 VanDerWaalsContact O-CD 3.25Å; S334-P342 WeakPolarHBondContact O-CD 3.5Å; P342-V345 PolarHBondContact O-N 2.97Å; P342-A346 WeakPolarHBondContact O-CB 3.31Å; P342-A346 PolarHBondContact O-N 2.99Å; P342-L358 HydrophobicContact CB-CD1 4.25Å; P342-L358 HydrophobicContact CB-CD2 4.45Å |
| 343 | L | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 175.5 | -174.5 | 62.3 | 0 | 0 | 0 | 112.5 | T341 V345 A346 A347 I355 L358 I359 A363 C365 P375 L391 | T341-L343 PolarHBondContact O-N 3.03Å; T341-L343 VanDerWaalsContact O-N 3.09Å; L343-V345 VanDerWaalsContact C-N 3.34Å; L343-A346 PolarHBondContact O-N 2.83Å; L343-A347 VanDerWaalsContact O-CB 3.29Å; L343-A347 WeakPolarHBondContact O-CB 3.41Å; L343-A347 PolarHBondContact O-N 3.38Å; L343-I355 HydrophobicContact CD1-CB 4.32Å; L343-I355 HydrophobicContact CD1-CG1 4.19Å; L343-I355 HydrophobicContact CD1-CG2 4Å; L343-L358 HydrophobicContact CB-CD1 4.28Å; L343-L358 HydrophobicContact CD1-CB 4.14Å; L343-L358 HydrophobicContact CD1-CD1 4.23Å; L343-I359 HydrophobicContact CD1-CG1 4.29Å; L343-A363 HydrophobicContact CD2-CB 4.07Å; L343-C365 HydrophobicContact CD2-CB 4.42Å; L343-P375 HydrophobicContact CB-CG 4.43Å; L343-P375 HydrophobicContact CD2-CB 4.32Å; L343-P375 HydrophobicContact CD2-CG 3.9Å; L343-P375 HydrophobicContact CG-CB 3.99Å; L343-P375 HydrophobicContact CG-CG 3.88Å; L343-L391 HydrophobicContact CD1-CD2 4.26Å; L343-L391 HydrophobicContact CD2-CD2 4.36Å; L343-L391 HydrophobicContact CG-CD2 4.47Å |
| 344 | H | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 173.9 | -71.6 | 85.2 | 0 | 0 | 0 | 111.5 | N340 T341 A347 R348 R367 G369 M373 P375 L378 | N340-H344 HydrophobicContact CB-CB 3.81Å; T341-H344 PolarHBondContact N-ND1 2.99Å; T341-H344 WeakPolarHBondContact O-CB 3.49Å; T341-H344 PolarHBondContact O-N 3.29Å; T341-H344 PolarHBondContact OG1-ND1 3.39Å; H344-A347 PolarHBondContact O-N 3.3Å; H344-R348 WeakPolarHBondContact O-CB 3.25Å; H344-R348 PolarHBondContact O-N 3.19Å; H344-R367 PolarHBondContact CE1-O 2.74Å; H344-R367 PolarHBondContact NE2-O 2.92Å; H344-R367 VanDerWaalsContact NE2-O 3.15Å; H344-G369 PolarHBondContact NE2-N 3.32Å; H344-G369 VanDerWaalsContact NE2-N 3.2Å; H344-M373 PolarHBondContact CD2-O 3.22Å; H344-M373 PolarHBondContact NE2-O 3.13Å; H344-M373 VanDerWaalsContact NE2-O 3.11Å; H344-P375 WeakPolarHBondContact NE2-CD 3.21Å; H344-L378 HydrophobicContact CB-CD1 3.78Å |
| 345 | V | 95.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -45.9 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | A314 V315 N340 T341 P342 L343 A347 R348 Y349 | A314-V345 HydrophobicContact CB-CB 3.89Å; A314-V345 HydrophobicContact CB-CG1 3.86Å; V315-V345 HydrophobicContact CB-CG1 4.36Å; V315-V345 HydrophobicContact CG2-CG1 3.58Å; N340-V345 HydrophobicContact CB-CG2 4.39Å; T341-V345 PolarHBondContact O-N 3.44Å; T341-V345 VanDerWaalsContact O-N 3.14Å; P342-V345 PolarHBondContact O-N 2.97Å; L343-V345 VanDerWaalsContact C-N 3.34Å; V345-A347 VanDerWaalsContact C-N 3.3Å; V345-A347 PolarHBondContact O-N 3.31Å; V345-R348 WeakPolarHBondContact O-CB 3.44Å; V345-R348 PolarHBondContact O-N 3.1Å; V345-R348 VanDerWaalsContact O-N 3.17Å; V345-Y349 HydrophobicContact CG1-CD2 3.79Å; V345-Y349 HydrophobicContact CG1-CE2 3.83Å; V345-Y349 VanDerWaalsContact O-CD2 3.28Å; V345-Y349 WeakPolarHBondContact O-CD2 3.42Å; V345-Y349 PolarHBondContact O-N 3.39Å; V345-Y349 VanDerWaalsContact O-N 3.12Å |
| 346 | A | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A314 P342 L343 Y349 G350 H351 L354 I355 L358 | A314-A346 HydrophobicContact CB-CB 4.16Å; P342-A346 WeakPolarHBondContact O-CB 3.31Å; P342-A346 PolarHBondContact O-N 2.99Å; L343-A346 PolarHBondContact O-N 2.83Å; A346-Y349 PolarHBondContact O-N 3.15Å; A346-G350 PolarHBondContact O-N 2.84Å; A346-H351 PolarHBondContact O-N 3.3Å; A346-L354 HydrophobicContact CB-CD2 3.91Å; A346-L354 HydrophobicContact CB-CG 4.26Å; A346-I355 HydrophobicContact CB-CG1 3.75Å; A346-L358 HydrophobicContact CB-CD1 4.2Å |
| 347 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | L343 H344 V345 I355 P375 A379 H384 L391 | L343-A347 VanDerWaalsContact O-CB 3.29Å; L343-A347 WeakPolarHBondContact O-CB 3.41Å; L343-A347 PolarHBondContact O-N 3.38Å; H344-A347 PolarHBondContact O-N 3.3Å; V345-A347 VanDerWaalsContact C-N 3.3Å; V345-A347 PolarHBondContact O-N 3.31Å; A347-I355 HydrophobicContact CB-CD1 4.24Å; A347-P375 HydrophobicContact CB-CB 3.99Å; A347-P375 VanDerWaalsContact CB-O 3.24Å; A347-P375 WeakPolarHBondContact CB-O 3.31Å; A347-A379 HydrophobicContact CB-CB 4.12Å; A347-A379 WeakPolarHBondContact O-CA 3.49Å; A347-H384 PolarHBondContact O-CD2 3.46Å; A347-L391 HydrophobicContact CB-CD1 4.14Å |
| 348 | R | 94.8 | Very high | 94.4 | Very high | 73 Ų | 73 | 31.4 Ų | 31.4 | 28% | 0.275 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 176.6 | -177.7 | -177.6 | -64.2 | -176.7 | 4.6 | 112.7 | H344 V345 L378 N382 H384 | H344-R348 WeakPolarHBondContact O-CB 3.25Å; H344-R348 PolarHBondContact O-N 3.19Å; V345-R348 WeakPolarHBondContact O-CB 3.44Å; V345-R348 PolarHBondContact O-N 3.1Å; V345-R348 VanDerWaalsContact O-N 3.17Å; R348-L378 HydrophobicContact CB-CB 4.45Å; R348-N382 WeakPolarHBondContact O-CB 3.36Å; R348-H384 PolarHBondContact O-NE2 3.24Å |
| 349 | Y | 94.7 | Very high | 94.5 | Very high | 117 Ų | 117 | 28.7 Ų | 28.7 | 46% | 0.459 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -96.7 | -0.5 | -177.3 | -69.2 | -74.4 | 0 | 0 | 0 | 114.1 | V315 V345 A346 H351 | V315-Y349 HydrophobicContact CB-CE2 4.24Å; V315-Y349 HydrophobicContact CG1-CE2 4.02Å; V315-Y349 HydrophobicContact CG2-CE2 4.05Å; V345-Y349 HydrophobicContact CG1-CD2 3.79Å; V345-Y349 HydrophobicContact CG1-CE2 3.83Å; V345-Y349 VanDerWaalsContact O-CD2 3.28Å; V345-Y349 WeakPolarHBondContact O-CD2 3.42Å; V345-Y349 PolarHBondContact O-N 3.39Å; V345-Y349 VanDerWaalsContact O-N 3.12Å; A346-Y349 PolarHBondContact O-N 3.15Å; Y349-H351 VanDerWaalsContact CB-NE2 3.33Å; Y349-H351 WeakPolarHBondContact CB-NE2 3.34Å |
| 350 | G | 94.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 24% | 0.237 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 28.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A346 E352 H384 | A346-G350 PolarHBondContact O-N 2.84Å; G350-E352 PolarHBondContact O-N 3.08Å; G350-E352 VanDerWaalsContact O-N 3.13Å; G350-H384 WeakPolarHBondContact CA-CD2 3.3Å; G350-H384 VanDerWaalsContact CA-CG 3.44Å; G350-H384 WeakPolarHBondContact CA-NE2 3.12Å; G350-H384 PolarHBondContact N-CD2 3.33Å; G350-H384 VanDerWaalsContact N-CD2 3.33Å; G350-H384 PolarHBondContact N-NE2 2.94Å |
| 351 | H | 95.3 | Very high | 94.3 | Very high | 47 Ų | 47 | 35 Ų | 35 | 22% | 0.218 | 18% | 0.183 | C | C | . | . | trans | -86.9 | 79.9 | -176.4 | -61 | -56.8 | 0 | 0 | 0 | 112.3 | A314 V315 G317 A346 Y349 L353 L354 I355 | A314-H351 PolarHBondContact O-CD2 2.91Å; V315-H351 PolarHBondContact O-NE2 3.11Å; G317-H351 VanDerWaalsContact CA-CE1 3.48Å; G317-H351 WeakPolarHBondContact CA-CE1 3.47Å; G317-H351 VanDerWaalsContact CA-ND1 3.3Å; G317-H351 WeakPolarHBondContact CA-ND1 3.36Å; G317-H351 PolarHBondContact N-CD2 2.79Å; G317-H351 PolarHBondContact N-CE1 3.27Å; G317-H351 PolarHBondContact N-NE2 2.96Å; A346-H351 PolarHBondContact O-N 3.3Å; Y349-H351 VanDerWaalsContact CB-NE2 3.33Å; Y349-H351 WeakPolarHBondContact CB-NE2 3.34Å; H351-L353 PolarHBondContact O-N 2.86Å; H351-L354 HydrophobicContact CB-CB 3.94Å; H351-L354 HydrophobicContact CB-CD2 4.45Å; H351-L354 PolarHBondContact O-N 3.14Å; H351-I355 WeakPolarHBondContact O-CG1 3.38Å; H351-I355 PolarHBondContact O-N 3.39Å | ||
| 352 | E | 93.4 | Very high | 94 | Very high | 69 Ų | 69 | 37.7 Ų | 37.7 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -54.1 | -50 | -174.8 | -171 | -160.7 | 156.4 | 0 | 0 | 113.7 | G350 L354 I355 N356 K390 | G350-E352 PolarHBondContact O-N 3.08Å; G350-E352 VanDerWaalsContact O-N 3.13Å; E352-L354 VanDerWaalsContact C-N 3.27Å; E352-L354 PolarHBondContact O-N 2.98Å; E352-I355 WeakPolarHBondContact O-CB 3.22Å; E352-I355 PolarHBondContact O-N 3.44Å; E352-N356 PolarHBondContact O-N 2.91Å; E352-K390 HydrophobicContact CG-CG 3.86Å; E352-K390 WeakPolarHBondContact OE1-CE 2.84Å; E352-K390 IonicContact OE1-NZ 2.67Å |
| 353 | L | 92.4 | Very high | 93.8 | Very high | 122 Ų | 122 | 38.1 Ų | 38.1 | 64% | 0.639 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.7 | -39 | -178.7 | -68 | 175.9 | 0 | 0 | 0 | 111.8 | H351 T357 | H351-L353 PolarHBondContact O-N 2.86Å; L353-T357 PolarHBondContact O-N 2.99Å; L353-T357 VanDerWaalsContact O-N 3.15Å; L353-T357 PolarHBondContact O-OG1 3.48Å |
| 354 | L | 93.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.4 | -41.9 | 178 | -178.6 | 66.8 | 0 | 0 | 0 | 111.4 | A314 S322 A346 H351 E352 N356 T357 L358 | A314-L354 HydrophobicContact CB-CD2 3.81Å; S322-L354 WeakPolarHBondContact OG-CD1 3.39Å; A346-L354 HydrophobicContact CB-CD2 3.91Å; A346-L354 HydrophobicContact CB-CG 4.26Å; H351-L354 HydrophobicContact CB-CB 3.94Å; H351-L354 HydrophobicContact CB-CD2 4.45Å; H351-L354 PolarHBondContact O-N 3.14Å; E352-L354 VanDerWaalsContact C-N 3.27Å; E352-L354 PolarHBondContact O-N 2.98Å; L354-N356 VanDerWaalsContact C-N 3.31Å; L354-N356 PolarHBondContact O-N 3.37Å; L354-T357 WeakPolarHBondContact O-CB 3.41Å; L354-T357 PolarHBondContact O-N 3.37Å; L354-T357 VanDerWaalsContact O-N 3.1Å; L354-L358 HydrophobicContact CD1-CG 4.4Å; L354-L358 HydrophobicContact CG-CD1 4.06Å; L354-L358 HydrophobicContact CG-CG 4.39Å; L354-L358 WeakPolarHBondContact O-CG 3.16Å; L354-L358 PolarHBondContact O-N 2.88Å |
| 355 | I | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.8 | -49 | 173.8 | -71.7 | 171.3 | 0 | 0 | 0 | 110.3 | L343 A346 A347 H351 E352 T357 L358 I359 C387 K390 L391 | L343-I355 HydrophobicContact CD1-CB 4.32Å; L343-I355 HydrophobicContact CD1-CG1 4.19Å; L343-I355 HydrophobicContact CD1-CG2 4Å; A346-I355 HydrophobicContact CB-CG1 3.75Å; A347-I355 HydrophobicContact CB-CD1 4.24Å; H351-I355 WeakPolarHBondContact O-CG1 3.38Å; H351-I355 PolarHBondContact O-N 3.39Å; E352-I355 WeakPolarHBondContact O-CB 3.22Å; E352-I355 PolarHBondContact O-N 3.44Å; I355-T357 PolarHBondContact O-N 3.18Å; I355-L358 PolarHBondContact O-N 3.49Å; I355-I359 HydrophobicContact CG2-CD1 3.56Å; I355-I359 HydrophobicContact CG2-CG1 4.32Å; I355-I359 WeakPolarHBondContact O-CB 3.33Å; I355-I359 VanDerWaalsContact O-CG1 3.25Å; I355-I359 WeakPolarHBondContact O-CG1 3.47Å; I355-I359 PolarHBondContact O-N 2.85Å; I355-C387 HydrophobicContact CD1-CB 3.62Å; I355-C387 VanDerWaalsContact CD1-SG 3.51Å; I355-K390 HydrophobicContact CG2-CB 4.37Å; I355-L391 HydrophobicContact CG2-CD2 4.07Å; I355-L391 HydrophobicContact CG2-CG 4.12Å |
| 356 | N | 92.4 | Very high | 92.9 | Very high | 70 Ų | 70 | 45 Ų | 45 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.8 | -40.2 | 178.2 | -173.9 | 59.3 | 0 | 0 | 0 | 111.5 | E352 L354 I359 T360 | E352-N356 PolarHBondContact O-N 2.91Å; L354-N356 VanDerWaalsContact C-N 3.31Å; L354-N356 PolarHBondContact O-N 3.37Å; N356-I359 PolarHBondContact O-N 3.18Å; N356-T360 WeakPolarHBondContact O-CB 3.11Å; N356-T360 VanDerWaalsContact O-CG2 3.27Å; N356-T360 WeakPolarHBondContact O-CG2 3.31Å; N356-T360 PolarHBondContact O-N 3.32Å; N356-T360 PolarHBondContact O-OG1 3.19Å |
| 357 | T | 91.8 | Very high | 92.6 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.7 | -43.2 | -179.7 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | F319 Q323 L353 L354 I355 T360 S361 | F319-T357 HydrophobicContact CD2-CG2 3.9Å; F319-T357 WeakPolarHBondContact CD2-OG1 3.47Å; F319-T357 HydrophobicContact CE2-CG2 3.6Å; F319-T357 WeakPolarHBondContact CE2-OG1 3.45Å; Q323-T357 HydrophobicContact CG-CG2 3.72Å; L353-T357 PolarHBondContact O-N 2.99Å; L353-T357 VanDerWaalsContact O-N 3.15Å; L353-T357 PolarHBondContact O-OG1 3.48Å; L354-T357 WeakPolarHBondContact O-CB 3.41Å; L354-T357 PolarHBondContact O-N 3.37Å; L354-T357 VanDerWaalsContact O-N 3.1Å; I355-T357 PolarHBondContact O-N 3.18Å; T357-T360 WeakPolarHBondContact CA-OG1 3.39Å; T357-T360 PolarHBondContact O-OG1 2.98Å; T357-T360 VanDerWaalsContact O-OG1 3.08Å; T357-S361 WeakPolarHBondContact O-CB 3.33Å; T357-S361 PolarHBondContact O-N 3.27Å; T357-S361 PolarHBondContact O-OG 2.86Å |
| 358 | L | 94.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.3 | -69.1 | 170.2 | 0 | 0 | 0 | 110 | L310 I326 I332 P342 L343 A346 L354 I355 S361 G362 A363 | L310-L358 HydrophobicContact CD1-CD2 4.47Å; L310-L358 HydrophobicContact CD2-CD2 4.2Å; L310-L358 HydrophobicContact CG-CD2 4.49Å; I326-L358 HydrophobicContact CD1-CD2 4.08Å; I332-L358 HydrophobicContact CG2-CD2 4.13Å; P342-L358 HydrophobicContact CB-CD1 4.25Å; P342-L358 HydrophobicContact CB-CD2 4.45Å; L343-L358 HydrophobicContact CB-CD1 4.28Å; L343-L358 HydrophobicContact CD1-CB 4.14Å; L343-L358 HydrophobicContact CD1-CD1 4.23Å; A346-L358 HydrophobicContact CB-CD1 4.2Å; L354-L358 HydrophobicContact CD1-CG 4.4Å; L354-L358 HydrophobicContact CG-CD1 4.06Å; L354-L358 HydrophobicContact CG-CG 4.39Å; L354-L358 WeakPolarHBondContact O-CG 3.16Å; L354-L358 PolarHBondContact O-N 2.88Å; I355-L358 PolarHBondContact O-N 3.49Å; L358-S361 CarbonylContact O-C 3.59Å; L358-S361 PolarHBondContact O-N 3.01Å; L358-G362 PolarHBondContact O-N 3.32Å; L358-A363 VanDerWaalsContact C-CB 3.49Å; L358-A363 HydrophobicContact CB-CB 3.93Å; L358-A363 WeakPolarHBondContact O-CB 3.18Å; L358-A363 PolarHBondContact O-N 3.32Å |
| 359 | I | 92.6 | Very high | 92.3 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 177.2 | -65.4 | 169.7 | 0 | 0 | 0 | 111.2 | L343 I355 N356 S361 G362 L391 | L343-I359 HydrophobicContact CD1-CG1 4.29Å; I355-I359 HydrophobicContact CG2-CD1 3.56Å; I355-I359 HydrophobicContact CG2-CG1 4.32Å; I355-I359 WeakPolarHBondContact O-CB 3.33Å; I355-I359 VanDerWaalsContact O-CG1 3.25Å; I355-I359 WeakPolarHBondContact O-CG1 3.47Å; I355-I359 PolarHBondContact O-N 2.85Å; N356-I359 PolarHBondContact O-N 3.18Å; I359-S361 PolarHBondContact O-N 3.24Å; I359-G362 PolarHBondContact O-N 3.02Å; I359-L391 HydrophobicContact CD1-CD2 4.05Å |
| 360 | T | 91.6 | Very high | 92.1 | Very high | 103 Ų | 103 | 49 Ų | 49 | 63% | 0.632 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66.4 | -24.2 | 178.8 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | N356 T357 G362 | N356-T360 WeakPolarHBondContact O-CB 3.11Å; N356-T360 VanDerWaalsContact O-CG2 3.27Å; N356-T360 WeakPolarHBondContact O-CG2 3.31Å; N356-T360 PolarHBondContact O-N 3.32Å; N356-T360 PolarHBondContact O-OG1 3.19Å; T357-T360 WeakPolarHBondContact CA-OG1 3.39Å; T357-T360 PolarHBondContact O-OG1 2.98Å; T357-T360 VanDerWaalsContact O-OG1 3.08Å; T360-G362 VanDerWaalsContact C-N 3.29Å |
| 361 | S | 91.1 | Very high | 91.9 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -0.2 | 174.3 | -53 | 0 | 0 | 0 | 0 | 113.3 | I332 T357 L358 I359 | I332-S361 WeakPolarHBondContact CD1-O 3.32Å; T357-S361 WeakPolarHBondContact O-CB 3.33Å; T357-S361 PolarHBondContact O-N 3.27Å; T357-S361 PolarHBondContact O-OG 2.86Å; L358-S361 CarbonylContact O-C 3.59Å; L358-S361 PolarHBondContact O-N 3.01Å; I359-S361 PolarHBondContact O-N 3.24Å |
| 362 | G | 90.6 | Very high | 91.7 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.2 | 21.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L358 I359 T360 | L358-G362 PolarHBondContact O-N 3.32Å; I359-G362 PolarHBondContact O-N 3.02Å; T360-G362 VanDerWaalsContact C-N 3.29Å |
| 363 | A | 93 | Very high | 91.7 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 7% | 0.074 | 27% | 0.27 | C | S | . | . | trans | -62.5 | 135.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I332 L343 L358 C365 | I332-A363 HydrophobicContact CG2-CB 3.49Å; I332-A363 VanDerWaalsContact CG2-CB 3.49Å; L343-A363 HydrophobicContact CD2-CB 4.07Å; L358-A363 VanDerWaalsContact C-CB 3.49Å; L358-A363 HydrophobicContact CB-CB 3.93Å; L358-A363 WeakPolarHBondContact O-CB 3.18Å; L358-A363 PolarHBondContact O-N 3.32Å; A363-C365 PolarHBondContact O-N 3.15Å | ||
| 364 | D | 90.9 | Very high | 91.7 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | trans | -78.7 | 109.5 | 178.4 | -177.2 | 2.7 | 0 | 0 | 0 | 111.6 | D333 T366 R367 | D333-D364 PolarHBondContact OD1-N 3Å; D333-D364 VanDerWaalsContact OD1-N 3.09Å; D333-D364 PolarHBondContact OD2-N 2.97Å; D364-T366 PolarHBondContact O-N 3.19Å; D364-T366 WeakPolarHBondContact OD1-CA 3.45Å; D364-T366 WeakPolarHBondContact OD1-CB 3.43Å; D364-T366 PolarHBondContact OD1-N 3.48Å; D364-T366 PolarHBondContact OD1-OG1 3.02Å; D364-T366 PolarHBondContact OD2-OG1 2.91Å; D364-R367 HydrophobicContact CB-CG 3.8Å; D364-R367 IonicContact OD2-NE 2.7Å | ||
| 365 | C | 89.8 | Confident | 91.8 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 11% | 0.108 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.3 | 178.9 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | L343 A363 | L343-C365 HydrophobicContact CD2-CB 4.42Å; A363-C365 PolarHBondContact O-N 3.15Å |
| 366 | T | 87.7 | Confident | 91.8 | Very high | 85 Ų | 85 | 43.5 Ų | 43.5 | 52% | 0.521 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -1 | -178 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | D364 F374 | D364-T366 PolarHBondContact O-N 3.19Å; D364-T366 WeakPolarHBondContact OD1-CA 3.45Å; D364-T366 WeakPolarHBondContact OD1-CB 3.43Å; D364-T366 PolarHBondContact OD1-N 3.48Å; D364-T366 PolarHBondContact OD1-OG1 3.02Å; D364-T366 PolarHBondContact OD2-OG1 2.91Å; T366-F374 WeakPolarHBondContact O-CD1 2.9Å; T366-F374 WeakPolarHBondContact O-CE1 3.29Å |
| 367 | R | 90.3 | Very high | 91.9 | Very high | 84 Ų | 84 | 40.2 Ų | 40.2 | 32% | 0.317 | 22% | 0.224 | S | C | . | . | trans | -59.7 | 140.7 | 171.9 | -74.2 | -83.7 | -178.7 | 127.3 | 7.1 | 110.5 | D333 T341 H344 D364 | D333-R367 PolarHBondContact O-NH1 3.02Å; T341-R367 HydrophobicContact CG2-CB 4.16Å; T341-R367 HydrophobicContact CG2-CG 4.24Å; H344-R367 PolarHBondContact CE1-O 2.74Å; H344-R367 PolarHBondContact NE2-O 2.92Å; H344-R367 VanDerWaalsContact NE2-O 3.15Å; D364-R367 HydrophobicContact CB-CG 3.8Å; D364-R367 IonicContact OD2-NE 2.7Å | ||
| 368 | R | 91.6 | Very high | 91.9 | Very high | 151 Ų | 151 | 40 Ų | 40 | 57% | 0.57 | 22% | 0.223 | S | C | * | . | trans | -97.5 | 119.1 | 177.1 | -72.5 | -175.5 | -177.6 | -168.6 | -0.3 | 109.5 | F374 | R368-F374 HydrophobicContact CG-CE1 3.95Å; R368-F374 HydrophobicContact CG-CZ 4.02Å | ||
| 369 | G | 91.6 | Very high | 92 | Very high | 9 Ų | 9 | 40 Ų | 40 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | trans | -94.2 | -144.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | G339 H344 H371 G372 M373 | G339-G369 WeakPolarHBondContact O-CA 3.26Å; H344-G369 PolarHBondContact NE2-N 3.32Å; H344-G369 VanDerWaalsContact NE2-N 3.2Å; G369-H371 PolarHBondContact O-N 3.33Å; G369-G372 WeakPolarHBondContact O-CA 3.47Å; G369-G372 PolarHBondContact O-N 2.95Å; G369-M373 PolarHBondContact N-O 3.11Å | ||
| 370 | V | 90.8 | Very high | 92.1 | Very high | 30 Ų | 30 | 38 Ų | 38 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -55.5 | 133 | -179.7 | 68.2 | 0 | 0 | 0 | 0 | 111.5 | D338 N340 G372 M373 | D338-V370 HydrophobicContact CB-CB 4.35Å; D338-V370 WeakPolarHBondContact O-CA 3.44Å; D338-V370 PolarHBondContact O-N 3.45Å; N340-V370 PolarHBondContact OD1-N 3.1Å; N340-V370 VanDerWaalsContact OD1-N 3.08Å; V370-G372 PolarHBondContact O-N 3.48Å; V370-M373 VanDerWaalsContact O-CB 3.29Å; V370-M373 WeakPolarHBondContact O-CB 3.37Å; V370-M373 VanDerWaalsContact O-CG 3.3Å; V370-M373 WeakPolarHBondContact O-CG 3.43Å; V370-M373 PolarHBondContact O-N 3.4Å |
| 371 | H | 89.6 | Confident | 92.1 | Very high | 121 Ų | 121 | 36.1 Ų | 36.1 | 56% | 0.56 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | 53.7 | 21.5 | -173.5 | -52.3 | -57.2 | 0 | 0 | 0 | 114.6 | G369 M373 S403 | G369-H371 PolarHBondContact O-N 3.33Å; H371-M373 HydrophobicContact CB-CG 4.35Å; H371-M373 PolarHBondContact O-N 3.01Å; H371-S403 VanDerWaalsContact C-OG 3.23Å; H371-S403 WeakPolarHBondContact O-CB 3.45Å; H371-S403 PolarHBondContact O-N 3.17Å; H371-S403 VanDerWaalsContact O-N 3.08Å; H371-S403 PolarHBondContact O-OG 2.95Å |
| 372 | G | 91.4 | Very high | 92.2 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | 63.8 | 23.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G369 V370 S403 | G369-G372 WeakPolarHBondContact O-CA 3.47Å; G369-G372 PolarHBondContact O-N 2.95Å; V370-G372 PolarHBondContact O-N 3.48Å; G372-S403 VanDerWaalsContact CA-OG 3.3Å; G372-S403 WeakPolarHBondContact CA-OG 3.37Å; G372-S403 PolarHBondContact N-OG 3.07Å |
| 373 | M | 93.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 4% | 0.044 | 19% | 0.185 | C | C | . | . | trans | -72.7 | 138.9 | 172.4 | -63.9 | -176.5 | 80.6 | 0 | 0 | 109.5 | H344 G369 V370 H371 H377 L378 L381 D402 | H344-M373 PolarHBondContact CD2-O 3.22Å; H344-M373 PolarHBondContact NE2-O 3.13Å; H344-M373 VanDerWaalsContact NE2-O 3.11Å; G369-M373 PolarHBondContact N-O 3.11Å; V370-M373 VanDerWaalsContact O-CB 3.29Å; V370-M373 WeakPolarHBondContact O-CB 3.37Å; V370-M373 VanDerWaalsContact O-CG 3.3Å; V370-M373 WeakPolarHBondContact O-CG 3.43Å; V370-M373 PolarHBondContact O-N 3.4Å; H371-M373 HydrophobicContact CB-CG 4.35Å; H371-M373 PolarHBondContact O-N 3.01Å; M373-H377 HydrophobicContact CB-CB 4.07Å; M373-H377 HydrophobicContact CE-CB 3.67Å; M373-H377 HydrophobicContact CG-CB 4.48Å; M373-L378 HydrophobicContact CB-CD2 4.4Å; M373-L378 HydrophobicContact CB-CG 4.44Å; M373-L378 HydrophobicContact CE-CD2 4.16Å; M373-L378 HydrophobicContact SD-CD2 4.03Å; M373-L381 HydrophobicContact CE-CD2 4.12Å; M373-D402 HydrophobicContact CG-CB 4.22Å | ||
| 374 | F | 93.8 | Very high | 92.3 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | trans | -87.8 | 165.3 | 173.4 | -56.5 | -97.1 | 0 | 0 | 0 | 110.1 | T366 R368 L376 H377 L378 F396 T400 | T366-F374 WeakPolarHBondContact O-CD1 2.9Å; T366-F374 WeakPolarHBondContact O-CE1 3.29Å; R368-F374 HydrophobicContact CG-CE1 3.95Å; R368-F374 HydrophobicContact CG-CZ 4.02Å; F374-L376 PolarHBondContact O-N 3.23Å; F374-L376 VanDerWaalsContact O-N 3.15Å; F374-H377 AromaticContact CD2-CE1 3.42Å; F374-H377 VanDerWaalsContact CD2-CE1 3.42Å; F374-H377 WeakPolarHBondContact CD2-CE1 3.26Å; F374-H377 AromaticContact CD2-ND1 3.42Å; F374-H377 WeakPolarHBondContact CD2-ND1 3.44Å; F374-H377 AromaticContact CG-ND1 3.95Å; F374-H377 WeakPolarHBondContact O-CB 3.46Å; F374-H377 PolarHBondContact O-N 3.44Å; F374-L378 PolarHBondContact O-N 3.2Å; F374-F396 HydrophobicContact CB-CE2 3.84Å; F374-F396 HydrophobicContact CB-CZ 3.81Å; F374-F396 AromaticContact CD1-CE2 3.54Å; F374-F396 HydrophobicContact CD1-CE2 3.54Å; F374-F396 AromaticContact CD1-CZ 3.94Å; F374-F396 HydrophobicContact CD1-CZ 3.94Å; F374-F396 HydrophobicContact CD2-CE2 4.32Å; F374-F396 AromaticContact CD2-CZ 3.86Å; F374-F396 HydrophobicContact CD2-CZ 3.86Å; F374-F396 HydrophobicContact CE1-CE2 4.07Å; F374-F396 HydrophobicContact CE1-CZ 4.41Å; F374-F396 HydrophobicContact CE2-CZ 4.35Å; F374-F396 AromaticContact CG-CE2 3.64Å; F374-F396 HydrophobicContact CG-CE2 3.64Å; F374-F396 AromaticContact CG-CZ 3.6Å; F374-F396 HydrophobicContact CG-CZ 3.6Å; F374-T400 HydrophobicContact CE1-CG2 4.42Å; F374-T400 HydrophobicContact CE2-CG2 3.66Å; F374-T400 HydrophobicContact CZ-CG2 3.5Å | ||
| 375 | P | 94.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.2 | -38.1 | 178 | -25.9 | 35.4 | 0 | 0 | 0 | 112.8 | L343 H344 A347 H377 L378 A379 L391 | L343-P375 HydrophobicContact CB-CG 4.43Å; L343-P375 HydrophobicContact CD2-CB 4.32Å; L343-P375 HydrophobicContact CD2-CG 3.9Å; L343-P375 HydrophobicContact CG-CB 3.99Å; L343-P375 HydrophobicContact CG-CG 3.88Å; H344-P375 WeakPolarHBondContact NE2-CD 3.21Å; A347-P375 HydrophobicContact CB-CB 3.99Å; A347-P375 VanDerWaalsContact CB-O 3.24Å; A347-P375 WeakPolarHBondContact CB-O 3.31Å; P375-H377 VanDerWaalsContact C-N 3.34Å; P375-H377 PolarHBondContact O-N 3.29Å; P375-L378 PolarHBondContact O-N 3.41Å; P375-A379 PolarHBondContact O-N 3.27Å; P375-L391 HydrophobicContact CB-CD1 4.14Å; P375-L391 HydrophobicContact CB-CD2 4.07Å |
| 376 | L | 94.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 177.2 | -177.5 | 62.3 | 0 | 0 | 0 | 112.8 | F374 L378 A379 A380 C388 L391 L392 F396 C408 | F374-L376 PolarHBondContact O-N 3.23Å; F374-L376 VanDerWaalsContact O-N 3.15Å; L376-L378 VanDerWaalsContact C-N 3.32Å; L376-L378 PolarHBondContact O-N 3.11Å; L376-A379 PolarHBondContact O-N 2.89Å; L376-A380 VanDerWaalsContact O-CB 3.29Å; L376-A380 WeakPolarHBondContact O-CB 3.14Å; L376-A380 PolarHBondContact O-N 2.9Å; L376-C388 HydrophobicContact CD1-CB 3.83Å; L376-L391 HydrophobicContact CB-CB 4.38Å; L376-L391 HydrophobicContact CB-CD1 4.43Å; L376-L391 HydrophobicContact CD1-CB 3.99Å; L376-L392 HydrophobicContact CD1-CG 4.24Å; L376-L392 HydrophobicContact CD2-CD2 3.74Å; L376-L392 HydrophobicContact CD2-CG 4.26Å; L376-F396 HydrophobicContact CB-CD1 4.42Å; L376-F396 HydrophobicContact CB-CE1 4.46Å; L376-F396 HydrophobicContact CD2-CD1 3.47Å; L376-F396 VanDerWaalsContact CD2-CD1 3.47Å; L376-F396 HydrophobicContact CD2-CE1 3.87Å; L376-F396 HydrophobicContact CD2-CG 4.32Å; L376-C408 HydrophobicContact CD2-CB 4.27Å; L376-C408 HydrophobicContact CG-CB 4.18Å |
| 377 | H | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 176.8 | -69.2 | 82.2 | 0 | 0 | 0 | 111.3 | M373 F374 P375 L381 T400 R406 T407 C408 A411 | M373-H377 HydrophobicContact CB-CB 4.07Å; M373-H377 HydrophobicContact CE-CB 3.67Å; M373-H377 HydrophobicContact CG-CB 4.48Å; F374-H377 AromaticContact CD2-CE1 3.42Å; F374-H377 VanDerWaalsContact CD2-CE1 3.42Å; F374-H377 WeakPolarHBondContact CD2-CE1 3.26Å; F374-H377 AromaticContact CD2-ND1 3.42Å; F374-H377 WeakPolarHBondContact CD2-ND1 3.44Å; F374-H377 AromaticContact CG-ND1 3.95Å; F374-H377 WeakPolarHBondContact O-CB 3.46Å; F374-H377 PolarHBondContact O-N 3.44Å; P375-H377 VanDerWaalsContact C-N 3.34Å; P375-H377 PolarHBondContact O-N 3.29Å; H377-L381 VanDerWaalsContact O-CB 3.29Å; H377-L381 WeakPolarHBondContact O-CB 3.17Å; H377-L381 PolarHBondContact O-N 2.99Å; H377-T400 PolarHBondContact CE1-O 3.35Å; H377-T400 PolarHBondContact NE2-O 2.87Å; H377-R406 PolarHBondContact NE2-O 3.46Å; H377-T407 VanDerWaalsContact CD2-C 3.47Å; H377-T407 VanDerWaalsContact NE2-C 3.26Å; H377-C408 PolarHBondContact CD2-N 3.35Å; H377-C408 PolarHBondContact NE2-N 2.95Å; H377-C408 VanDerWaalsContact NE2-N 3.12Å; H377-A411 HydrophobicContact CB-CB 4.48Å; H377-A411 WeakPolarHBondContact O-CB 3.25Å |
| 378 | L | 93.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.5 | -40.8 | 177.8 | -66.5 | 177.2 | 0 | 0 | 0 | 112 | H344 R348 M373 F374 P375 L376 A380 L381 N382 | H344-L378 HydrophobicContact CB-CD1 3.78Å; R348-L378 HydrophobicContact CB-CB 4.45Å; M373-L378 HydrophobicContact CB-CD2 4.4Å; M373-L378 HydrophobicContact CB-CG 4.44Å; M373-L378 HydrophobicContact CE-CD2 4.16Å; M373-L378 HydrophobicContact SD-CD2 4.03Å; F374-L378 PolarHBondContact O-N 3.2Å; P375-L378 PolarHBondContact O-N 3.41Å; L376-L378 VanDerWaalsContact C-N 3.32Å; L376-L378 PolarHBondContact O-N 3.11Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-L381 PolarHBondContact O-N 3.35Å; L378-N382 PolarHBondContact O-N 3.44Å; L378-N382 PolarHBondContact O-ND2 3.35Å |
| 379 | A | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A347 P375 L376 N382 A383 H384 C387 L391 | A347-A379 HydrophobicContact CB-CB 4.12Å; A347-A379 WeakPolarHBondContact O-CA 3.49Å; P375-A379 PolarHBondContact O-N 3.27Å; L376-A379 PolarHBondContact O-N 2.89Å; A379-N382 PolarHBondContact O-N 3.31Å; A379-A383 PolarHBondContact O-N 3.1Å; A379-H384 PolarHBondContact O-N 2.81Å; A379-C387 HydrophobicContact CB-CB 4Å; A379-L391 HydrophobicContact CB-CD1 4.05Å |
| 380 | A | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L376 L378 N382 A383 C388 A411 A412 L424 | L376-A380 VanDerWaalsContact O-CB 3.29Å; L376-A380 WeakPolarHBondContact O-CB 3.14Å; L376-A380 PolarHBondContact O-N 2.9Å; L378-A380 VanDerWaalsContact C-N 3.34Å; A380-N382 VanDerWaalsContact C-N 3.31Å; A380-N382 PolarHBondContact O-N 3.23Å; A380-A383 PolarHBondContact O-N 3.43Å; A380-C388 PolarHBondContact N-SG 3.12Å; A380-A411 HydrophobicContact CB-CB 4.17Å; A380-A412 HydrophobicContact CB-CB 4.09Å; A380-L424 HydrophobicContact CB-CD1 4.4Å |
| 381 | L | 93.2 | Very high | 93 | Very high | 62 Ų | 62 | 33.3 Ų | 33.3 | 33% | 0.325 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.9 | -36 | 178.5 | -174.9 | 65 | 0 | 0 | 0 | 112.8 | M373 H377 L378 A383 A411 A414 G415 | M373-L381 HydrophobicContact CE-CD2 4.12Å; H377-L381 VanDerWaalsContact O-CB 3.29Å; H377-L381 WeakPolarHBondContact O-CB 3.17Å; H377-L381 PolarHBondContact O-N 2.99Å; L378-L381 PolarHBondContact O-N 3.35Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A411 WeakPolarHBondContact CA-O 3.22Å; L381-A411 HydrophobicContact CB-CB 4.16Å; L381-A414 HydrophobicContact CD1-CB 3.94Å; L381-G415 WeakPolarHBondContact O-CA 3.34Å |
| 382 | N | 92.6 | Very high | 93.1 | Very high | 66 Ų | 66 | 28.9 Ų | 28.9 | 35% | 0.353 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 18.3 | 179.3 | -64.2 | -82.2 | 0 | 0 | 0 | 112.7 | R348 L378 A379 A380 H384 | R348-N382 WeakPolarHBondContact O-CB 3.36Å; L378-N382 PolarHBondContact O-N 3.44Å; L378-N382 PolarHBondContact O-ND2 3.35Å; A379-N382 PolarHBondContact O-N 3.31Å; A380-N382 VanDerWaalsContact C-N 3.31Å; A380-N382 PolarHBondContact O-N 3.23Å; N382-H384 PolarHBondContact O-CD2 3.23Å; N382-H384 PolarHBondContact O-CE1 2.93Å; N382-H384 PolarHBondContact O-N 3.12Å; N382-H384 PolarHBondContact O-NE2 3.41Å |
| 383 | A | 90.9 | Very high | 92.9 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 30.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A379 A380 L381 N417 | A379-A383 PolarHBondContact O-N 3.1Å; A380-A383 PolarHBondContact O-N 3.43Å; L381-A383 VanDerWaalsContact C-N 3.31Å; A383-N417 HydrophobicContact CB-CB 3.47Å; A383-N417 VanDerWaalsContact CB-CB 3.47Å; A383-N417 PolarHBondContact O-ND2 3.38Å |
| 384 | H | 94.2 | Very high | 92.3 | Very high | 59 Ų | 59 | 35.1 Ų | 35.1 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | trans | -101.2 | 85 | -179.8 | -59.4 | -50.5 | 0 | 0 | 0 | 112.3 | A347 R348 G350 A379 N382 D386 C387 C388 | A347-H384 PolarHBondContact O-CD2 3.46Å; R348-H384 PolarHBondContact O-NE2 3.24Å; G350-H384 WeakPolarHBondContact CA-CD2 3.3Å; G350-H384 VanDerWaalsContact CA-CG 3.44Å; G350-H384 WeakPolarHBondContact CA-NE2 3.12Å; G350-H384 PolarHBondContact N-CD2 3.33Å; G350-H384 VanDerWaalsContact N-CD2 3.33Å; G350-H384 PolarHBondContact N-NE2 2.94Å; A379-H384 PolarHBondContact O-N 2.81Å; N382-H384 PolarHBondContact O-CD2 3.23Å; N382-H384 PolarHBondContact O-CE1 2.93Å; N382-H384 PolarHBondContact O-N 3.12Å; N382-H384 PolarHBondContact O-NE2 3.41Å; H384-D386 PolarHBondContact O-N 2.89Å; H384-C387 HydrophobicContact CB-CB 3.87Å; H384-C387 PolarHBondContact O-N 2.64Å; H384-C388 PolarHBondContact O-N 3.38Å; H384-C388 PolarHBondContact O-SG 3.08Å | ||
| 385 | S | 93.1 | Very high | 91.6 | Very high | 22 Ų | 22 | 38 Ų | 38 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | -175.2 | 52.7 | 0 | 0 | 0 | 0 | 113.5 | C388 R389 C420 L423 | S385-C388 WeakPolarHBondContact O-CB 3.4Å; S385-C388 PolarHBondContact O-N 2.88Å; S385-R389 PolarHBondContact O-N 2.86Å; S385-C420 WeakPolarHBondContact CA-SG 3.43Å; S385-C420 PolarHBondContact N-SG 2.61Å; S385-C420 VanDerWaalsContact N-SG 3.4Å; S385-L423 WeakPolarHBondContact O-CD2 3.49Å |
| 386 | D | 93.2 | Very high | 91 | Very high | 89 Ų | 89 | 38.9 Ų | 38.9 | 48% | 0.476 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 177.9 | -62.7 | -43.6 | 0 | 0 | 0 | 112 | H384 C388 R389 K390 | H384-D386 PolarHBondContact O-N 2.89Å; D386-C388 VanDerWaalsContact C-N 3.35Å; D386-R389 WeakPolarHBondContact O-CB 3.44Å; D386-R389 PolarHBondContact O-N 3.19Å; D386-K390 PolarHBondContact O-N 2.93Å; D386-K390 VanDerWaalsContact O-N 3.09Å |
| 387 | C | 93.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.02 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 172.9 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | I355 A379 H384 R389 K390 L391 | I355-C387 HydrophobicContact CD1-CB 3.62Å; I355-C387 VanDerWaalsContact CD1-SG 3.51Å; A379-C387 HydrophobicContact CB-CB 4Å; H384-C387 HydrophobicContact CB-CB 3.87Å; H384-C387 PolarHBondContact O-N 2.64Å; C387-R389 VanDerWaalsContact C-N 3.32Å; C387-R389 PolarHBondContact O-N 3.41Å; C387-K390 PolarHBondContact O-N 2.9Å; C387-L391 WeakPolarHBondContact O-CB 3.47Å; C387-L391 WeakPolarHBondContact O-CG 3.42Å; C387-L391 PolarHBondContact O-N 3Å |
| 388 | C | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 173.8 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | L376 A380 H384 S385 D386 K390 L391 L392 L423 | L376-C388 HydrophobicContact CD1-CB 3.83Å; A380-C388 PolarHBondContact N-SG 3.12Å; H384-C388 PolarHBondContact O-N 3.38Å; H384-C388 PolarHBondContact O-SG 3.08Å; S385-C388 WeakPolarHBondContact O-CB 3.4Å; S385-C388 PolarHBondContact O-N 2.88Å; D386-C388 VanDerWaalsContact C-N 3.35Å; C388-K390 PolarHBondContact O-N 3.14Å; C388-L391 PolarHBondContact O-N 3.41Å; C388-L392 WeakPolarHBondContact O-CB 3.46Å; C388-L392 VanDerWaalsContact O-CG 3.22Å; C388-L392 WeakPolarHBondContact O-CG 3.4Å; C388-L392 PolarHBondContact O-N 3.43Å; C388-L423 HydrophobicContact CB-CD2 3.93Å |
| 389 | R | 92.4 | Very high | 90.1 | Very high | 139 Ų | 139 | 48.3 Ų | 48.3 | 53% | 0.525 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 178.4 | -174.7 | -178 | -58 | -72 | -2.1 | 112.2 | S385 D386 C387 L392 S393 L423 | S385-R389 PolarHBondContact O-N 2.86Å; D386-R389 WeakPolarHBondContact O-CB 3.44Å; D386-R389 PolarHBondContact O-N 3.19Å; C387-R389 VanDerWaalsContact C-N 3.32Å; C387-R389 PolarHBondContact O-N 3.41Å; R389-L392 PolarHBondContact O-N 2.83Å; R389-S393 PolarHBondContact O-N 3.47Å; R389-S393 VanDerWaalsContact O-N 3.14Å; R389-L423 HydrophobicContact CB-CD2 3.94Å |
| 390 | K | 91.6 | Very high | 89.9 | Confident | 68 Ų | 68 | 49.9 Ų | 49.9 | 30% | 0.296 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 177.5 | -66.5 | -61 | -176.5 | 179.2 | 0 | 112 | E352 I355 D386 C387 C388 L392 S393 | E352-K390 HydrophobicContact CG-CG 3.86Å; E352-K390 WeakPolarHBondContact OE1-CE 2.84Å; E352-K390 IonicContact OE1-NZ 2.67Å; I355-K390 HydrophobicContact CG2-CB 4.37Å; D386-K390 PolarHBondContact O-N 2.93Å; D386-K390 VanDerWaalsContact O-N 3.09Å; C387-K390 PolarHBondContact O-N 2.9Å; C388-K390 PolarHBondContact O-N 3.14Å; K390-L392 VanDerWaalsContact C-N 3.34Å; K390-L392 PolarHBondContact O-N 3.21Å; K390-S393 PolarHBondContact O-N 3.15Å; K390-S393 PolarHBondContact O-OG 2.95Å |
| 391 | L | 91.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 178.5 | -72.3 | 165.5 | 0 | 0 | 0 | 111.9 | L343 A347 I355 I359 P375 L376 A379 C387 C388 S393 S394 | L343-L391 HydrophobicContact CD1-CD2 4.26Å; L343-L391 HydrophobicContact CD2-CD2 4.36Å; L343-L391 HydrophobicContact CG-CD2 4.47Å; A347-L391 HydrophobicContact CB-CD1 4.14Å; I355-L391 HydrophobicContact CG2-CD2 4.07Å; I355-L391 HydrophobicContact CG2-CG 4.12Å; I359-L391 HydrophobicContact CD1-CD2 4.05Å; P375-L391 HydrophobicContact CB-CD1 4.14Å; P375-L391 HydrophobicContact CB-CD2 4.07Å; L376-L391 HydrophobicContact CB-CB 4.38Å; L376-L391 HydrophobicContact CB-CD1 4.43Å; L376-L391 HydrophobicContact CD1-CB 3.99Å; A379-L391 HydrophobicContact CB-CD1 4.05Å; C387-L391 WeakPolarHBondContact O-CB 3.47Å; C387-L391 WeakPolarHBondContact O-CG 3.42Å; C387-L391 PolarHBondContact O-N 3Å; C388-L391 PolarHBondContact O-N 3.41Å; L391-S393 VanDerWaalsContact C-N 3.34Å; L391-S393 PolarHBondContact O-N 3.36Å; L391-S394 WeakPolarHBondContact O-CB 3.34Å; L391-S394 PolarHBondContact O-N 3.15Å; L391-S394 PolarHBondContact O-OG 2.93Å |
| 392 | L | 90.3 | Very high | 89.8 | Confident | 27 Ų | 27 | 50.1 Ų | 50.1 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 174 | -73.5 | 167.8 | 0 | 0 | 0 | 112.4 | L376 C388 R389 K390 S394 G395 I398 L423 L424 | L376-L392 HydrophobicContact CD1-CG 4.24Å; L376-L392 HydrophobicContact CD2-CD2 3.74Å; L376-L392 HydrophobicContact CD2-CG 4.26Å; C388-L392 WeakPolarHBondContact O-CB 3.46Å; C388-L392 VanDerWaalsContact O-CG 3.22Å; C388-L392 WeakPolarHBondContact O-CG 3.4Å; C388-L392 PolarHBondContact O-N 3.43Å; R389-L392 PolarHBondContact O-N 2.83Å; K390-L392 VanDerWaalsContact C-N 3.34Å; K390-L392 PolarHBondContact O-N 3.21Å; L392-S394 PolarHBondContact O-N 3.05Å; L392-S394 VanDerWaalsContact O-N 3.1Å; L392-G395 PolarHBondContact O-N 3.37Å; L392-G395 VanDerWaalsContact O-N 3.17Å; L392-I398 HydrophobicContact CD2-CD1 3.75Å; L392-I398 HydrophobicContact CD2-CG1 3.59Å; L392-L423 HydrophobicContact CD1-CD2 4.09Å; L392-L423 HydrophobicContact CD1-CG 3.99Å; L392-L424 HydrophobicContact CD1-CD2 4.19Å; L392-L424 HydrophobicContact CD2-CD2 4.4Å |
| 393 | S | 87.3 | Confident | 89.9 | Confident | 100 Ų | 100 | 49.5 Ų | 49.5 | 70% | 0.699 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.2 | -14.6 | 177.6 | 73.4 | 0 | 0 | 0 | 0 | 114.2 | R389 K390 L391 G395 | R389-S393 PolarHBondContact O-N 3.47Å; R389-S393 VanDerWaalsContact O-N 3.14Å; K390-S393 PolarHBondContact O-N 3.15Å; K390-S393 PolarHBondContact O-OG 2.95Å; L391-S393 VanDerWaalsContact C-N 3.34Å; L391-S393 PolarHBondContact O-N 3.36Å; S393-G395 VanDerWaalsContact C-N 3.26Å; S393-G395 PolarHBondContact O-N 3.3Å |
| 394 | S | 81.4 | Confident | 89.9 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 33% | 0.329 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -1.8 | 176.6 | 75.8 | 0 | 0 | 0 | 0 | 114.4 | L391 L392 | L391-S394 WeakPolarHBondContact O-CB 3.34Å; L391-S394 PolarHBondContact O-N 3.15Å; L391-S394 PolarHBondContact O-OG 2.93Å; L392-S394 PolarHBondContact O-N 3.05Å; L392-S394 VanDerWaalsContact O-N 3.1Å |
| 395 | G | 78.1 | Confident | 89.9 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | 18.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L392 S393 | L392-G395 PolarHBondContact O-N 3.37Å; L392-G395 VanDerWaalsContact O-N 3.17Å; S393-G395 VanDerWaalsContact C-N 3.26Å; S393-G395 PolarHBondContact O-N 3.3Å |
| 396 | F | 83.6 | Confident | 89.9 | Confident | 21 Ų | 21 | 50.5 Ų | 50.5 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | trans | -66 | 132.9 | 177.2 | -173.6 | -93.4 | 0 | 0 | 0 | 112 | F374 L376 I398 | F374-F396 HydrophobicContact CB-CE2 3.84Å; F374-F396 HydrophobicContact CB-CZ 3.81Å; F374-F396 AromaticContact CD1-CE2 3.54Å; F374-F396 HydrophobicContact CD1-CE2 3.54Å; F374-F396 AromaticContact CD1-CZ 3.94Å; F374-F396 HydrophobicContact CD1-CZ 3.94Å; F374-F396 HydrophobicContact CD2-CE2 4.32Å; F374-F396 AromaticContact CD2-CZ 3.86Å; F374-F396 HydrophobicContact CD2-CZ 3.86Å; F374-F396 HydrophobicContact CE1-CE2 4.07Å; F374-F396 HydrophobicContact CE1-CZ 4.41Å; F374-F396 HydrophobicContact CE2-CZ 4.35Å; F374-F396 AromaticContact CG-CE2 3.64Å; F374-F396 HydrophobicContact CG-CE2 3.64Å; F374-F396 AromaticContact CG-CZ 3.6Å; F374-F396 HydrophobicContact CG-CZ 3.6Å; L376-F396 HydrophobicContact CB-CD1 4.42Å; L376-F396 HydrophobicContact CB-CE1 4.46Å; L376-F396 HydrophobicContact CD2-CD1 3.47Å; L376-F396 VanDerWaalsContact CD2-CD1 3.47Å; L376-F396 HydrophobicContact CD2-CE1 3.87Å; L376-F396 HydrophobicContact CD2-CG 4.32Å; F396-I398 PolarHBondContact O-N 3.15Å | ||
| 397 | Q | 85.8 | Confident | 89.9 | Confident | 155 Ų | 155 | 46.4 Ų | 46.4 | 72% | 0.724 | 26% | 0.264 | S | S | * | . | trans | -74.1 | 111 | 174.3 | -71.3 | -177.6 | 5.9 | 0 | 0 | 110.6 | D399 T400 | Q397-D399 PolarHBondContact O-N 3.45Å; Q397-T400 WeakPolarHBondContact CB-OG1 3.45Å; Q397-T400 WeakPolarHBondContact O-CB 3.48Å; Q397-T400 PolarHBondContact O-N 2.93Å; Q397-T400 VanDerWaalsContact O-N 3.13Å; Q397-T400 PolarHBondContact O-OG1 3.48Å | ||
| 398 | I | 87.9 | Confident | 89.9 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -43.9 | -169.2 | -56 | -174.9 | 0 | 0 | 0 | 112.9 | L392 F396 T400 C408 L424 S427 | L392-I398 HydrophobicContact CD2-CD1 3.75Å; L392-I398 HydrophobicContact CD2-CG1 3.59Å; F396-I398 PolarHBondContact O-N 3.15Å; I398-T400 PolarHBondContact O-N 2.79Å; I398-C408 VanDerWaalsContact CG2-SG 3.52Å; I398-C408 PolarHBondContact O-SG 3.01Å; I398-L424 HydrophobicContact CG2-CD2 4.26Å; I398-S427 WeakPolarHBondContact CD1-O 3.44Å |
| 399 | D | 88.9 | Confident | 90 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 15% | 0.15 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 13.3 | -175.7 | -60.5 | -51.6 | 0 | 0 | 0 | 114.2 | Q397 P401 E430 | Q397-D399 PolarHBondContact O-N 3.45Å; D399-P401 VanDerWaalsContact O-CD 3.24Å; D399-P401 WeakPolarHBondContact O-CD 3.42Å; D399-E430 PolarHBondContact OD1-N 3.24Å |
| 400 | T | 90.8 | Very high | 90.1 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | trans | -65.2 | 118.1 | 175.4 | -53.4 | 0 | 0 | 0 | 0 | 109.4 | F374 H377 Q397 I398 | F374-T400 HydrophobicContact CE1-CG2 4.42Å; F374-T400 HydrophobicContact CE2-CG2 3.66Å; F374-T400 HydrophobicContact CZ-CG2 3.5Å; H377-T400 PolarHBondContact CE1-O 3.35Å; H377-T400 PolarHBondContact NE2-O 2.87Å; Q397-T400 WeakPolarHBondContact CB-OG1 3.45Å; Q397-T400 WeakPolarHBondContact O-CB 3.48Å; Q397-T400 PolarHBondContact O-N 2.93Å; Q397-T400 VanDerWaalsContact O-N 3.13Å; Q397-T400 PolarHBondContact O-OG1 3.48Å; I398-T400 PolarHBondContact O-N 2.79Å | ||
| 401 | P | 93.4 | Very high | 90.1 | Very high | 59 Ų | 59 | 36.8 Ų | 36.8 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | trans | -81.2 | 151.1 | -176.9 | 31.5 | -33.5 | 0 | 0 | 0 | 112.4 | D399 R406 | D399-P401 VanDerWaalsContact O-CD 3.24Å; D399-P401 WeakPolarHBondContact O-CD 3.42Å; P401-R406 CarbonylContact C-O 3.57Å; P401-R406 WeakPolarHBondContact CA-O 3.31Å | ||
| 402 | D | 93 | Very high | 90.2 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | trans | -74.5 | -173.8 | 167.5 | 77.8 | -0.6 | 0 | 0 | 0 | 112.5 | M373 L404 G405 R406 | M373-D402 HydrophobicContact CG-CB 4.22Å; D402-L404 PolarHBondContact O-N 3.44Å; D402-L404 VanDerWaalsContact O-N 3.14Å; D402-L404 WeakPolarHBondContact OD1-CA 3.22Å; D402-L404 WeakPolarHBondContact OD1-CB 3.47Å; D402-L404 PolarHBondContact OD1-N 3.43Å; D402-G405 PolarHBondContact O-N 3.36Å; D402-G405 PolarHBondContact OD1-N 2.9Å; D402-G405 VanDerWaalsContact OD1-N 3.1Å; D402-R406 PolarHBondContact N-O 3.01Å; D402-R406 WeakPolarHBondContact OD1-CB 3.34Å; D402-R406 PolarHBondContact OD1-N 3.5Å; D402-R406 IonicContact OD1-NE 2.68Å; D402-R406 IonicContact OD2-CZ 3.38Å; D402-R406 IonicContact OD2-NE 2.66Å; D402-R406 PolarHBondContact OD2-NE 3.44Å; D402-R406 IonicContact OD2-NH2 3.67Å; D402-R406 PolarHBondContact OD2-NH2 3.38Å | ||
| 403 | S | 93 | Very high | 90.4 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 37% | 0.371 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.3 | -179.4 | -50.8 | 0 | 0 | 0 | 0 | 113.9 | H371 G372 K436 | H371-S403 VanDerWaalsContact C-OG 3.23Å; H371-S403 WeakPolarHBondContact O-CB 3.45Å; H371-S403 PolarHBondContact O-N 3.17Å; H371-S403 VanDerWaalsContact O-N 3.08Å; H371-S403 PolarHBondContact O-OG 2.95Å; G372-S403 VanDerWaalsContact CA-OG 3.3Å; G372-S403 WeakPolarHBondContact CA-OG 3.37Å; G372-S403 PolarHBondContact N-OG 3.07Å; S403-K436 WeakPolarHBondContact O-CE 3.39Å; S403-K436 PolarHBondContact O-NZ 3.47Å |
| 404 | L | 92.3 | Very high | 90.6 | Very high | 76 Ų | 76 | 31.5 Ų | 31.5 | 40% | 0.398 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 2.2 | 176.6 | -62.6 | 179.1 | 0 | 0 | 0 | 112.4 | D402 R406 K436 | D402-L404 PolarHBondContact O-N 3.44Å; D402-L404 VanDerWaalsContact O-N 3.14Å; D402-L404 WeakPolarHBondContact OD1-CA 3.22Å; D402-L404 WeakPolarHBondContact OD1-CB 3.47Å; D402-L404 PolarHBondContact OD1-N 3.43Å; L404-R406 VanDerWaalsContact C-N 3.32Å; L404-R406 HydrophobicContact CB-CG 4.1Å; L404-K436 WeakPolarHBondContact O-CB 3.3Å; L404-K436 WeakPolarHBondContact O-CG 3.25Å; L404-K436 PolarHBondContact O-N 3.49Å |
| 405 | G | 92.8 | Very high | 90.9 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 83.3 | 6.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D402 D435 | D402-G405 PolarHBondContact O-N 3.36Å; D402-G405 PolarHBondContact OD1-N 2.9Å; D402-G405 VanDerWaalsContact OD1-N 3.1Å; G405-D435 WeakPolarHBondContact O-CA 3.33Å |
| 406 | R | 93.8 | Very high | 91.3 | Very high | 46 Ų | 46 | 28 Ų | 28 | 17% | 0.174 | 17% | 0.165 | C | C | . | . | trans | -84.2 | 134.5 | -176 | -56.9 | 176.2 | -60.1 | -178.7 | 2.1 | 109.9 | H377 P401 D402 L404 H410 D435 Y444 | H377-R406 PolarHBondContact NE2-O 3.46Å; P401-R406 CarbonylContact C-O 3.57Å; P401-R406 WeakPolarHBondContact CA-O 3.31Å; D402-R406 PolarHBondContact N-O 3.01Å; D402-R406 WeakPolarHBondContact OD1-CB 3.34Å; D402-R406 PolarHBondContact OD1-N 3.5Å; D402-R406 IonicContact OD1-NE 2.68Å; D402-R406 IonicContact OD2-CZ 3.38Å; D402-R406 IonicContact OD2-NE 2.66Å; D402-R406 PolarHBondContact OD2-NE 3.44Å; D402-R406 IonicContact OD2-NH2 3.67Å; D402-R406 PolarHBondContact OD2-NH2 3.38Å; L404-R406 VanDerWaalsContact C-N 3.32Å; L404-R406 HydrophobicContact CB-CG 4.1Å; R406-H410 HydrophobicContact CB-CB 3.96Å; R406-D435 HydrophobicContact CG-CB 3.9Å; R406-Y444 WeakPolarHBondContact CD-OH 3.44Å | ||
| 407 | T | 94.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | trans | -85.7 | 171.4 | 171.1 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | H377 L409 H410 A411 R433 | H377-T407 VanDerWaalsContact CD2-C 3.47Å; H377-T407 VanDerWaalsContact NE2-C 3.26Å; T407-L409 PolarHBondContact O-N 3.5Å; T407-L409 PolarHBondContact OG1-N 3.26Å; T407-H410 PolarHBondContact N-ND1 2.89Å; T407-H410 VanDerWaalsContact N-ND1 3.16Å; T407-H410 WeakPolarHBondContact O-CB 3.47Å; T407-H410 PolarHBondContact O-N 3.08Å; T407-H410 VanDerWaalsContact O-N 3.09Å; T407-H410 PolarHBondContact OG1-ND1 3.43Å; T407-A411 PolarHBondContact O-N 3.42Å; T407-R433 HydrophobicContact CG2-CB 4.12Å; T407-R433 HydrophobicContact CG2-CG 4.41Å | ||
| 408 | C | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.9 | -24.8 | 175.4 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | L376 H377 I398 A411 A412 L424 | L376-C408 HydrophobicContact CD2-CB 4.27Å; L376-C408 HydrophobicContact CG-CB 4.18Å; H377-C408 PolarHBondContact CD2-N 3.35Å; H377-C408 PolarHBondContact NE2-N 2.95Å; H377-C408 VanDerWaalsContact NE2-N 3.12Å; I398-C408 VanDerWaalsContact CG2-SG 3.52Å; I398-C408 PolarHBondContact O-SG 3.01Å; C408-A411 WeakPolarHBondContact O-CB 3.24Å; C408-A411 PolarHBondContact O-N 3.44Å; C408-A412 PolarHBondContact O-N 3.01Å; C408-L424 HydrophobicContact CB-CD1 4.21Å; C408-L424 HydrophobicContact CB-CD2 4.4Å; C408-L424 WeakPolarHBondContact O-CD1 3.24Å; C408-L424 VanDerWaalsContact SG-CD2 3.54Å |
| 409 | L | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.1 | -37.5 | 174.3 | -171 | 63.1 | 0 | 0 | 0 | 112 | T407 A411 A412 A413 V421 L424 L425 H431 P441 L457 | T407-L409 PolarHBondContact O-N 3.5Å; T407-L409 PolarHBondContact OG1-N 3.26Å; L409-A411 VanDerWaalsContact C-N 3.31Å; L409-A411 PolarHBondContact O-N 3.02Å; L409-A412 PolarHBondContact O-N 3.43Å; L409-A413 VanDerWaalsContact O-CB 3.29Å; L409-A413 WeakPolarHBondContact O-CB 3.32Å; L409-A413 PolarHBondContact O-N 3.3Å; L409-V421 HydrophobicContact CD1-CG1 4.09Å; L409-L424 HydrophobicContact CD1-CB 4.2Å; L409-L424 HydrophobicContact CD1-CD1 4.48Å; L409-L425 HydrophobicContact CD1-CD2 4.21Å; L409-L425 HydrophobicContact CD1-CG 4.06Å; L409-L425 HydrophobicContact CD2-CD2 3.75Å; L409-L425 HydrophobicContact CD2-CG 4.49Å; L409-H431 HydrophobicContact CD2-CB 4.21Å; L409-P441 HydrophobicContact CB-CG 4.34Å; L409-P441 HydrophobicContact CD2-CB 4.45Å; L409-P441 HydrophobicContact CD2-CG 3.96Å; L409-P441 HydrophobicContact CG-CB 4.13Å; L409-P441 HydrophobicContact CG-CG 3.96Å; L409-L457 HydrophobicContact CD1-CD2 4.37Å; L409-L457 HydrophobicContact CD2-CD2 4.29Å; L409-L457 HydrophobicContact CG-CD2 4.42Å |
| 410 | H | 94.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 171.1 | -67.4 | 81.4 | 0 | 0 | 0 | 111.1 | R406 T407 A413 A414 R433 R439 P441 Y444 | R406-H410 HydrophobicContact CB-CB 3.96Å; T407-H410 PolarHBondContact N-ND1 2.89Å; T407-H410 VanDerWaalsContact N-ND1 3.16Å; T407-H410 WeakPolarHBondContact O-CB 3.47Å; T407-H410 PolarHBondContact O-N 3.08Å; T407-H410 VanDerWaalsContact O-N 3.09Å; T407-H410 PolarHBondContact OG1-ND1 3.43Å; H410-A413 PolarHBondContact O-N 2.86Å; H410-A414 WeakPolarHBondContact O-CB 3.47Å; H410-A414 PolarHBondContact O-N 3.45Å; H410-R433 PolarHBondContact CE1-O 3.21Å; H410-R433 PolarHBondContact NE2-O 3.37Å; H410-R439 PolarHBondContact NE2-O 3.39Å; H410-R439 VanDerWaalsContact NE2-O 3.1Å; H410-P441 WeakPolarHBondContact NE2-CD 3.25Å; H410-Y444 HydrophobicContact CB-CD2 4.45Å; H410-Y444 AromaticContact CD2-CD2 3.73Å; H410-Y444 AromaticContact CD2-CE2 3.64Å |
| 411 | A | 93.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 23 Ų | 23 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H377 A380 L381 T407 C408 L409 A414 G415 | H377-A411 HydrophobicContact CB-CB 4.48Å; H377-A411 WeakPolarHBondContact O-CB 3.25Å; A380-A411 HydrophobicContact CB-CB 4.17Å; L381-A411 WeakPolarHBondContact CA-O 3.22Å; L381-A411 HydrophobicContact CB-CB 4.16Å; T407-A411 PolarHBondContact O-N 3.42Å; C408-A411 WeakPolarHBondContact O-CB 3.24Å; C408-A411 PolarHBondContact O-N 3.44Å; L409-A411 VanDerWaalsContact C-N 3.31Å; L409-A411 PolarHBondContact O-N 3.02Å; A411-A414 PolarHBondContact O-N 2.91Å; A411-G415 PolarHBondContact O-N 3.07Å |
| 412 | A | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A380 C408 L409 A414 G415 G416 C420 V421 L424 | A380-A412 HydrophobicContact CB-CB 4.09Å; C408-A412 PolarHBondContact O-N 3.01Å; L409-A412 PolarHBondContact O-N 3.43Å; A412-A414 VanDerWaalsContact C-N 3.29Å; A412-A414 PolarHBondContact O-N 3.41Å; A412-G415 PolarHBondContact O-N 3.37Å; A412-G416 PolarHBondContact O-N 3.07Å; A412-C420 HydrophobicContact CB-CB 4.01Å; A412-V421 HydrophobicContact CB-CG2 3.81Å; A412-L424 HydrophobicContact CB-CD1 3.66Å |
| 413 | A | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L409 H410 P441 A445 H450 L457 | L409-A413 VanDerWaalsContact O-CB 3.29Å; L409-A413 WeakPolarHBondContact O-CB 3.32Å; L409-A413 PolarHBondContact O-N 3.3Å; H410-A413 PolarHBondContact O-N 2.86Å; A413-P441 HydrophobicContact CB-CB 3.97Å; A413-P441 VanDerWaalsContact CB-O 3.29Å; A413-P441 WeakPolarHBondContact CB-O 3.5Å; A413-A445 HydrophobicContact CB-CB 4.19Å; A413-H450 PolarHBondContact O-CD2 2.94Å; A413-L457 HydrophobicContact CB-CD1 4.07Å |
| 414 | A | 91.7 | Very high | 92.5 | Very high | 20 Ų | 20 | 23.2 Ų | 23.2 | 17% | 0.165 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.9 | -30.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | L381 H410 A411 A412 Y444 S448 H450 | L381-A414 HydrophobicContact CD1-CB 3.94Å; H410-A414 WeakPolarHBondContact O-CB 3.47Å; H410-A414 PolarHBondContact O-N 3.45Å; A411-A414 PolarHBondContact O-N 2.91Å; A412-A414 VanDerWaalsContact C-N 3.29Å; A412-A414 PolarHBondContact O-N 3.41Å; A414-Y444 HydrophobicContact CB-CD1 4.01Å; A414-Y444 HydrophobicContact CB-CG 4.49Å; A414-S448 PolarHBondContact O-OG 2.89Å; A414-H450 PolarHBondContact O-NE2 3.41Å |
| 415 | G | 87.5 | Confident | 92.4 | Very high | 21 Ų | 21 | 21 Ų | 21 | 22% | 0.216 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -85.6 | -17.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | L381 A411 A412 N417 | L381-G415 WeakPolarHBondContact O-CA 3.34Å; A411-G415 PolarHBondContact O-N 3.07Å; A412-G415 PolarHBondContact O-N 3.37Å; G415-N417 PolarHBondContact O-N 3.17Å |
| 416 | G | 86.9 | Confident | 92.4 | Very high | 19 Ų | 19 | 25 Ų | 25 | 20% | 0.196 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 4 | 167 | 0 | 0 | 0 | 0 | 0 | 117 | A412 V418 H450 C453 | A412-G416 PolarHBondContact O-N 3.07Å; G416-V418 PolarHBondContact O-N 2.82Å; G416-H450 WeakPolarHBondContact CA-CD2 3.41Å; G416-H450 WeakPolarHBondContact CA-NE2 3.28Å; G416-H450 PolarHBondContact N-CD2 2.99Å; G416-C453 PolarHBondContact O-SG 3.28Å; G416-C453 VanDerWaalsContact O-SG 3.35Å |
| 417 | N | 88.3 | Confident | 92.2 | Very high | 33 Ų | 33 | 25.4 Ų | 25.4 | 18% | 0.176 | 16% | 0.157 | C | C | . | . | trans | -87.7 | 110.4 | 175.5 | -172.2 | -22.7 | 0 | 0 | 0 | 111.7 | A383 G415 D419 C420 V421 | A383-N417 HydrophobicContact CB-CB 3.47Å; A383-N417 VanDerWaalsContact CB-CB 3.47Å; A383-N417 PolarHBondContact O-ND2 3.38Å; G415-N417 PolarHBondContact O-N 3.17Å; N417-D419 VanDerWaalsContact C-N 3.27Å; N417-D419 PolarHBondContact O-N 3.5Å; N417-D419 WeakPolarHBondContact OD1-CA 3.36Å; N417-D419 WeakPolarHBondContact OD1-CB 3.48Å; N417-D419 PolarHBondContact OD1-N 2.98Å; N417-C420 HydrophobicContact CB-CB 4.14Å; N417-C420 WeakPolarHBondContact O-CB 3.23Å; N417-C420 PolarHBondContact O-N 3.29Å; N417-C420 VanDerWaalsContact O-N 3.1Å; N417-C420 PolarHBondContact OD1-N 2.95Å; N417-V421 PolarHBondContact O-N 2.98Å; N417-V421 VanDerWaalsContact O-N 3.13Å | ||
| 418 | V | 92.2 | Very high | 91.8 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 15% | 0.152 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.5 | -37.7 | 178.5 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | G416 C420 V421 K422 Q452 | G416-V418 PolarHBondContact O-N 2.82Å; V418-C420 VanDerWaalsContact C-N 3.29Å; V418-C420 PolarHBondContact O-N 2.99Å; V418-V421 PolarHBondContact O-N 2.9Å; V418-K422 HydrophobicContact CG1-CD 3.95Å; V418-K422 HydrophobicContact CG1-CG 4.21Å; V418-K422 WeakPolarHBondContact O-CB 3.37Å; V418-K422 WeakPolarHBondContact O-CG 3.49Å; V418-K422 PolarHBondContact O-N 3.16Å; V418-Q452 HydrophobicContact CG2-CB 3.3Å; V418-Q452 HydrophobicContact CG2-CG 4.42Å |
| 419 | D | 93.5 | Very high | 91.7 | Very high | 96 Ų | 96 | 28.2 Ų | 28.2 | 51% | 0.513 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.6 | -33.9 | 179.1 | -61.7 | -36.6 | 0 | 0 | 0 | 111.1 | N417 L423 | N417-D419 VanDerWaalsContact C-N 3.27Å; N417-D419 PolarHBondContact O-N 3.5Å; N417-D419 WeakPolarHBondContact OD1-CA 3.36Å; N417-D419 WeakPolarHBondContact OD1-CB 3.48Å; N417-D419 PolarHBondContact OD1-N 2.98Å; D419-L423 WeakPolarHBondContact O-CB 3.43Å; D419-L423 PolarHBondContact O-N 2.91Å |
| 420 | C | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -46.8 | 171.3 | -66.6 | 0 | 0 | 0 | 0 | 110.7 | S385 A412 N417 V418 L423 L424 | S385-C420 WeakPolarHBondContact CA-SG 3.43Å; S385-C420 PolarHBondContact N-SG 2.61Å; S385-C420 VanDerWaalsContact N-SG 3.4Å; A412-C420 HydrophobicContact CB-CB 4.01Å; N417-C420 HydrophobicContact CB-CB 4.14Å; N417-C420 WeakPolarHBondContact O-CB 3.23Å; N417-C420 PolarHBondContact O-N 3.29Å; N417-C420 VanDerWaalsContact O-N 3.1Å; N417-C420 PolarHBondContact OD1-N 2.95Å; V418-C420 VanDerWaalsContact C-N 3.29Å; V418-C420 PolarHBondContact O-N 2.99Å; C420-L423 PolarHBondContact O-N 3.42Å; C420-L424 WeakPolarHBondContact O-CB 3.43Å; C420-L424 WeakPolarHBondContact O-CG 3.28Å; C420-L424 PolarHBondContact O-N 3.11Å |
| 421 | V | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -50.2 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 111 | L409 A412 N417 V418 L423 L424 L425 C453 T456 L457 | L409-V421 HydrophobicContact CD1-CG1 4.09Å; A412-V421 HydrophobicContact CB-CG2 3.81Å; N417-V421 PolarHBondContact O-N 2.98Å; N417-V421 VanDerWaalsContact O-N 3.13Å; V418-V421 PolarHBondContact O-N 2.9Å; V421-L423 PolarHBondContact O-N 2.83Å; V421-L424 PolarHBondContact O-N 3.16Å; V421-L425 HydrophobicContact CG1-CD1 3.63Å; V421-L425 HydrophobicContact CG1-CG 4.41Å; V421-L425 WeakPolarHBondContact O-CB 3.23Å; V421-L425 VanDerWaalsContact O-CG 3.25Å; V421-L425 WeakPolarHBondContact O-CG 3.43Å; V421-L425 PolarHBondContact O-N 3.1Å; V421-C453 HydrophobicContact CG2-CB 4.26Å; V421-T456 HydrophobicContact CG1-CG2 4.07Å; V421-L457 HydrophobicContact CG1-CD2 4.11Å; V421-L457 HydrophobicContact CG1-CG 4.25Å |
| 422 | K | 94.1 | Very high | 90.9 | Very high | 110 Ų | 110 | 38.3 Ų | 38.3 | 48% | 0.478 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 177.1 | -73.3 | 176.8 | 178 | 169.2 | 0 | 112.3 | V418 S426 T456 | V418-K422 HydrophobicContact CG1-CD 3.95Å; V418-K422 HydrophobicContact CG1-CG 4.21Å; V418-K422 WeakPolarHBondContact O-CB 3.37Å; V418-K422 WeakPolarHBondContact O-CG 3.49Å; V418-K422 PolarHBondContact O-N 3.16Å; K422-S426 VanDerWaalsContact O-CB 3.28Å; K422-S426 WeakPolarHBondContact O-CB 3.36Å; K422-S426 PolarHBondContact O-N 2.91Å; K422-S426 PolarHBondContact O-OG 2.86Å; K422-T456 HydrophobicContact CG-CG2 3.9Å |
| 423 | L | 93.2 | Very high | 90.8 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 177.6 | 178.9 | 65.5 | 0 | 0 | 0 | 111.3 | S385 C388 R389 L392 D419 C420 V421 S426 S427 | S385-L423 WeakPolarHBondContact O-CD2 3.49Å; C388-L423 HydrophobicContact CB-CD2 3.93Å; R389-L423 HydrophobicContact CB-CD2 3.94Å; L392-L423 HydrophobicContact CD1-CD2 4.09Å; L392-L423 HydrophobicContact CD1-CG 3.99Å; D419-L423 WeakPolarHBondContact O-CB 3.43Å; D419-L423 PolarHBondContact O-N 2.91Å; C420-L423 PolarHBondContact O-N 3.42Å; V421-L423 PolarHBondContact O-N 2.83Å; L423-S426 WeakPolarHBondContact CA-OG 3.43Å; L423-S426 PolarHBondContact O-OG 3.46Å; L423-S427 VanDerWaalsContact O-CB 3.27Å; L423-S427 WeakPolarHBondContact O-CB 3.37Å; L423-S427 PolarHBondContact O-N 3.29Å; L423-S427 PolarHBondContact O-OG 3.49Å |
| 424 | L | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -42.4 | -179.6 | -69 | 173.1 | 0 | 0 | 0 | 111.9 | A380 L392 I398 C408 L409 A412 C420 V421 S427 G428 G429 | A380-L424 HydrophobicContact CB-CD1 4.4Å; L392-L424 HydrophobicContact CD1-CD2 4.19Å; L392-L424 HydrophobicContact CD2-CD2 4.4Å; I398-L424 HydrophobicContact CG2-CD2 4.26Å; C408-L424 HydrophobicContact CB-CD1 4.21Å; C408-L424 HydrophobicContact CB-CD2 4.4Å; C408-L424 WeakPolarHBondContact O-CD1 3.24Å; C408-L424 VanDerWaalsContact SG-CD2 3.54Å; L409-L424 HydrophobicContact CD1-CB 4.2Å; L409-L424 HydrophobicContact CD1-CD1 4.48Å; A412-L424 HydrophobicContact CB-CD1 3.66Å; C420-L424 WeakPolarHBondContact O-CB 3.43Å; C420-L424 WeakPolarHBondContact O-CG 3.28Å; C420-L424 PolarHBondContact O-N 3.11Å; V421-L424 PolarHBondContact O-N 3.16Å; L424-S427 PolarHBondContact O-N 2.85Å; L424-G428 PolarHBondContact O-N 2.82Å; L424-G429 PolarHBondContact O-N 2.9Å |
| 425 | L | 91.8 | Very high | 90.9 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 176.5 | -69 | 167.1 | 0 | 0 | 0 | 111.9 | L409 V421 S427 G428 H431 T456 L457 | L409-L425 HydrophobicContact CD1-CD2 4.21Å; L409-L425 HydrophobicContact CD1-CG 4.06Å; L409-L425 HydrophobicContact CD2-CD2 3.75Å; L409-L425 HydrophobicContact CD2-CG 4.49Å; V421-L425 HydrophobicContact CG1-CD1 3.63Å; V421-L425 HydrophobicContact CG1-CG 4.41Å; V421-L425 WeakPolarHBondContact O-CB 3.23Å; V421-L425 VanDerWaalsContact O-CG 3.25Å; V421-L425 WeakPolarHBondContact O-CG 3.43Å; V421-L425 PolarHBondContact O-N 3.1Å; L425-S427 PolarHBondContact O-N 3.32Å; L425-G428 PolarHBondContact O-N 3.05Å; L425-H431 HydrophobicContact CD2-CB 4.04Å; L425-T456 HydrophobicContact CD1-CG2 4.26Å; L425-L457 HydrophobicContact CD1-CD2 4.45Å |
| 426 | S | 91.3 | Very high | 91.2 | Very high | 98 Ų | 98 | 54.2 Ų | 54.2 | 69% | 0.685 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66 | -22.7 | 176.9 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | K422 L423 G428 | K422-S426 VanDerWaalsContact O-CB 3.28Å; K422-S426 WeakPolarHBondContact O-CB 3.36Å; K422-S426 PolarHBondContact O-N 2.91Å; K422-S426 PolarHBondContact O-OG 2.86Å; L423-S426 WeakPolarHBondContact CA-OG 3.43Å; L423-S426 PolarHBondContact O-OG 3.46Å; S426-G428 VanDerWaalsContact C-N 3.29Å |
| 427 | S | 89.3 | Confident | 91.5 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 39% | 0.392 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.7 | 175.4 | -55.3 | 0 | 0 | 0 | 0 | 113.1 | I398 L423 L424 L425 | I398-S427 WeakPolarHBondContact CD1-O 3.44Å; L423-S427 VanDerWaalsContact O-CB 3.27Å; L423-S427 WeakPolarHBondContact O-CB 3.37Å; L423-S427 PolarHBondContact O-N 3.29Å; L423-S427 PolarHBondContact O-OG 3.49Å; L424-S427 PolarHBondContact O-N 2.85Å; L425-S427 PolarHBondContact O-N 3.32Å |
| 428 | G | 88 | Confident | 91.8 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 56% | 0.557 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.9 | 15.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L424 L425 S426 | L424-G428 PolarHBondContact O-N 2.82Å; L425-G428 PolarHBondContact O-N 3.05Å; S426-G428 VanDerWaalsContact C-N 3.29Å |
| 429 | G | 89.5 | Confident | 91.9 | Very high | 7 Ų | 7 | 55 Ų | 55 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | trans | -69 | 136.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L424 | L424-G429 PolarHBondContact O-N 2.9Š| ||
| 430 | E | 90.3 | Very high | 92 | Very high | 91 Ų | 91 | 50.5 Ų | 50.5 | 43% | 0.425 | 27% | 0.265 | S | S | . | . | trans | -79.6 | 126.5 | -179.3 | -71.4 | 179.5 | -142.5 | 0 | 0 | 111.7 | D399 R433 | D399-E430 PolarHBondContact OD1-N 3.24Å; E430-R433 HydrophobicContact CB-CG 3.67Å; E430-R433 VanDerWaalsContact CD-NH2 3.27Å; E430-R433 IonicContact OE1-CZ 3.12Å; E430-R433 IonicContact OE1-NE 3.64Å; E430-R433 IonicContact OE1-NH2 2.71Å; E430-R433 PolarHBondContact OE1-NH2 3.22Å; E430-R433 IonicContact OE2-CZ 3.22Å; E430-R433 IonicContact OE2-NE 3.84Å; E430-R433 PolarHBondContact OE2-NE 2.74Å; E430-R433 IonicContact OE2-NH2 2.7Å; E430-R433 PolarHBondContact OE2-NH2 2.7Å | ||
| 431 | H | 87.8 | Confident | 92 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 22% | 0.218 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -28.1 | -177.4 | 56.3 | -87.6 | 0 | 0 | 0 | 113.9 | L409 L425 R433 P441 I462 | L409-H431 HydrophobicContact CD2-CB 4.21Å; L425-H431 HydrophobicContact CD2-CB 4.04Å; H431-R433 VanDerWaalsContact C-N 3.35Å; H431-R433 PolarHBondContact O-N 3.36Å; H431-P441 VanDerWaalsContact O-CD 3.29Å; H431-P441 WeakPolarHBondContact O-CD 3.44Å; H431-I462 WeakPolarHBondContact O-CD1 3.4Å |
| 432 | D | 87 | Confident | 92 | Very high | 83 Ų | 83 | 50.6 Ų | 50.6 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2.8 | -176.4 | -69.7 | -31 | 0 | 0 | 0 | 114.7 | R434 | D432-R434 PolarHBondContact O-N 2.71Š|
| 433 | R | 91.6 | Very high | 92 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | trans | -60.9 | 137.3 | 178.8 | -74.2 | -70.1 | -176.2 | 104.1 | 8.6 | 110.5 | T407 H410 E430 H431 | T407-R433 HydrophobicContact CG2-CB 4.12Å; T407-R433 HydrophobicContact CG2-CG 4.41Å; H410-R433 PolarHBondContact CE1-O 3.21Å; H410-R433 PolarHBondContact NE2-O 3.37Å; E430-R433 HydrophobicContact CB-CG 3.67Å; E430-R433 VanDerWaalsContact CD-NH2 3.27Å; E430-R433 IonicContact OE1-CZ 3.12Å; E430-R433 IonicContact OE1-NE 3.64Å; E430-R433 IonicContact OE1-NH2 2.71Å; E430-R433 PolarHBondContact OE1-NH2 3.22Å; E430-R433 IonicContact OE2-CZ 3.22Å; E430-R433 IonicContact OE2-NE 3.84Å; E430-R433 PolarHBondContact OE2-NE 2.74Å; E430-R433 IonicContact OE2-NH2 2.7Å; E430-R433 PolarHBondContact OE2-NH2 2.7Å; H431-R433 VanDerWaalsContact C-N 3.35Å; H431-R433 PolarHBondContact O-N 3.36Å | ||
| 434 | R | 93.6 | Very high | 92 | Very high | 124 Ų | 124 | 46.3 Ų | 46.3 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | trans | -109.7 | 139 | 179.8 | -64.3 | 179.6 | -179.7 | -130.9 | 6.1 | 110.8 | D432 R439 T440 T467 | D432-R434 PolarHBondContact O-N 2.71Å; R434-R439 WeakPolarHBondContact CA-O 3.25Å; R434-T440 HydrophobicContact CG-CG2 4Å; R434-T467 PolarHBondContact NH1-O 2.77Å | ||
| 435 | D | 94.2 | Very high | 91.9 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.053 | 25% | 0.246 | C | C | . | . | trans | -73.3 | -179.9 | 170.7 | 79.8 | -0.4 | 0 | 0 | 0 | 112.1 | G405 R406 C437 G438 R439 Y444 | G405-D435 WeakPolarHBondContact O-CA 3.33Å; R406-D435 HydrophobicContact CG-CB 3.9Å; D435-C437 PolarHBondContact O-N 3.44Å; D435-C437 VanDerWaalsContact O-N 3.1Å; D435-C437 VanDerWaalsContact OD1-CA 3.31Å; D435-C437 WeakPolarHBondContact OD1-CA 3.49Å; D435-C437 WeakPolarHBondContact OD1-CB 3.42Å; D435-C437 PolarHBondContact OD1-N 3.35Å; D435-G438 PolarHBondContact O-N 3.36Å; D435-G438 PolarHBondContact OD1-N 3.38Å; D435-G438 VanDerWaalsContact OD1-N 3.16Å; D435-R439 PolarHBondContact N-O 3.14Å; D435-R439 WeakPolarHBondContact OD1-CB 3.45Å; D435-R439 PolarHBondContact OD1-N 2.84Å; D435-R439 IonicContact OD1-NE 3.53Å; D435-R439 IonicContact OD2-CZ 3.36Å; D435-R439 IonicContact OD2-NE 2.95Å; D435-R439 PolarHBondContact OD2-NE 2.84Å; D435-R439 IonicContact OD2-NH2 2.68Å; D435-R439 PolarHBondContact OD2-NH2 3.13Å; D435-Y444 PolarHBondContact OD2-OH 3.09Å | ||
| 436 | K | 94 | Very high | 91.9 | Very high | 148 Ų | 148 | 44.9 Ų | 44.9 | 64% | 0.643 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.2 | 179.1 | -74.6 | -179.6 | 177.3 | -179.8 | 0 | 114 | S403 L404 G438 | S403-K436 WeakPolarHBondContact O-CE 3.39Å; S403-K436 PolarHBondContact O-NZ 3.47Å; L404-K436 WeakPolarHBondContact O-CB 3.3Å; L404-K436 WeakPolarHBondContact O-CG 3.25Å; L404-K436 PolarHBondContact O-N 3.49Å; K436-G438 VanDerWaalsContact C-N 3.34Å |
| 437 | C | 92.8 | Very high | 91.8 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 5.8 | 176.1 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | D435 R439 D468 Q469 W470 | D435-C437 PolarHBondContact O-N 3.44Å; D435-C437 VanDerWaalsContact O-N 3.1Å; D435-C437 VanDerWaalsContact OD1-CA 3.31Å; D435-C437 WeakPolarHBondContact OD1-CA 3.49Å; D435-C437 WeakPolarHBondContact OD1-CB 3.42Å; D435-C437 PolarHBondContact OD1-N 3.35Å; C437-R439 VanDerWaalsContact C-N 3.3Å; C437-R439 HydrophobicContact CB-CG 4.24Å; C437-R439 PolarHBondContact O-N 3.32Å; C437-D468 WeakPolarHBondContact O-CB 3.48Å; C437-Q469 HydrophobicContact CB-CG 4.46Å; C437-Q469 WeakPolarHBondContact O-CB 3.49Å; C437-Q469 WeakPolarHBondContact O-CG 3.5Å; C437-Q469 PolarHBondContact O-N 3.15Å; C437-W470 HydrophobicContact CB-CH2 4.33Å; C437-W470 HydrophobicContact CB-CZ3 3.77Å |
| 438 | G | 93.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 78.1 | 8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D435 K436 | D435-G438 PolarHBondContact O-N 3.36Å; D435-G438 PolarHBondContact OD1-N 3.38Å; D435-G438 VanDerWaalsContact OD1-N 3.16Å; K436-G438 VanDerWaalsContact C-N 3.34Å |
| 439 | R | 94.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 19% | 0.192 | 20% | 0.197 | C | C | . | . | trans | -83.3 | 138.9 | -177.2 | -61.8 | 172.5 | -66.5 | -165.9 | -5 | 110.7 | H410 R434 D435 C437 H443 Y444 D468 Y477 | H410-R439 PolarHBondContact NE2-O 3.39Å; H410-R439 VanDerWaalsContact NE2-O 3.1Å; R434-R439 WeakPolarHBondContact CA-O 3.25Å; D435-R439 PolarHBondContact N-O 3.14Å; D435-R439 WeakPolarHBondContact OD1-CB 3.45Å; D435-R439 PolarHBondContact OD1-N 2.84Å; D435-R439 IonicContact OD1-NE 3.53Å; D435-R439 IonicContact OD2-CZ 3.36Å; D435-R439 IonicContact OD2-NE 2.95Å; D435-R439 PolarHBondContact OD2-NE 2.84Å; D435-R439 IonicContact OD2-NH2 2.68Å; D435-R439 PolarHBondContact OD2-NH2 3.13Å; C437-R439 VanDerWaalsContact C-N 3.3Å; C437-R439 HydrophobicContact CB-CG 4.24Å; C437-R439 PolarHBondContact O-N 3.32Å; R439-H443 HydrophobicContact CB-CB 4.12Å; R439-H443 HydrophobicContact CG-CB 4.48Å; R439-Y444 HydrophobicContact CB-CE2 3.97Å; R439-Y444 PolarHBondContact NE-OH 3.04Å; R439-Y444 PolarHBondContact NH2-OH 2.73Å; R439-D468 HydrophobicContact CG-CB 3.74Å; R439-Y477 WeakPolarHBondContact CD-OH 3.45Å | ||
| 440 | T | 95.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | trans | -92.2 | 167.8 | 172.5 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | R434 L442 H443 A466 | R434-T440 HydrophobicContact CG-CG2 4Å; T440-L442 PolarHBondContact O-N 2.85Å; T440-L442 VanDerWaalsContact O-N 3.16Å; T440-H443 PolarHBondContact N-ND1 2.91Å; T440-H443 VanDerWaalsContact N-ND1 3.13Å; T440-H443 WeakPolarHBondContact O-CB 3.24Å; T440-H443 PolarHBondContact O-N 3.42Å; T440-H443 PolarHBondContact OG1-ND1 2.86Å; T440-A466 HydrophobicContact CG2-CB 4.31Å | ||
| 441 | P | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.8 | -31.5 | 173.1 | -26.3 | 35.4 | 0 | 0 | 0 | 113.6 | L409 H410 A413 H431 H443 Y444 A445 L457 | L409-P441 HydrophobicContact CB-CG 4.34Å; L409-P441 HydrophobicContact CD2-CB 4.45Å; L409-P441 HydrophobicContact CD2-CG 3.96Å; L409-P441 HydrophobicContact CG-CB 4.13Å; L409-P441 HydrophobicContact CG-CG 3.96Å; H410-P441 WeakPolarHBondContact NE2-CD 3.25Å; A413-P441 HydrophobicContact CB-CB 3.97Å; A413-P441 VanDerWaalsContact CB-O 3.29Å; A413-P441 WeakPolarHBondContact CB-O 3.5Å; H431-P441 VanDerWaalsContact O-CD 3.29Å; H431-P441 WeakPolarHBondContact O-CD 3.44Å; P441-H443 VanDerWaalsContact C-N 3.31Å; P441-H443 PolarHBondContact O-N 2.96Å; P441-Y444 PolarHBondContact O-N 3.49Å; P441-Y444 VanDerWaalsContact O-N 3.15Å; P441-A445 PolarHBondContact O-N 3.12Å; P441-L457 HydrophobicContact CB-CD1 4.11Å; P441-L457 HydrophobicContact CB-CD2 4.26Å |
| 442 | L | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | 176.9 | -173.2 | 72.9 | 0 | 0 | 0 | 112.4 | T440 Y444 A445 A446 L454 L457 V458 I462 A474 L513 | T440-L442 PolarHBondContact O-N 2.85Å; T440-L442 VanDerWaalsContact O-N 3.16Å; L442-Y444 VanDerWaalsContact C-N 3.29Å; L442-Y444 PolarHBondContact O-N 3.21Å; L442-A445 PolarHBondContact O-N 3.28Å; L442-A446 VanDerWaalsContact O-CB 3.32Å; L442-A446 WeakPolarHBondContact O-CB 3.17Å; L442-A446 PolarHBondContact O-N 3.23Å; L442-L454 HydrophobicContact CD1-CD1 4.5Å; L442-L454 HydrophobicContact CD1-CD2 4.36Å; L442-L454 HydrophobicContact CD1-CG 3.76Å; L442-L457 HydrophobicContact CD1-CB 4.31Å; L442-V458 HydrophobicContact CD1-CG2 3.81Å; L442-I462 HydrophobicContact CB-CD1 3.64Å; L442-I462 HydrophobicContact CB-CG2 4.39Å; L442-I462 HydrophobicContact CD1-CG2 4.25Å; L442-I462 HydrophobicContact CD2-CG2 4.07Å; L442-I462 HydrophobicContact CG-CG2 4.48Å; L442-A474 HydrophobicContact CD2-CB 3.79Å; L442-A474 HydrophobicContact CG-CB 3.84Å; L442-L513 HydrophobicContact CD1-CD2 4.45Å; L442-L513 HydrophobicContact CD2-CD2 4.29Å |
| 443 | H | 93.8 | Very high | 91.8 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 176.7 | -67.2 | 81.3 | 0 | 0 | 0 | 111.6 | R439 T440 P441 A447 A466 R472 A474 Y477 | R439-H443 HydrophobicContact CB-CB 4.12Å; R439-H443 HydrophobicContact CG-CB 4.48Å; T440-H443 PolarHBondContact N-ND1 2.91Å; T440-H443 VanDerWaalsContact N-ND1 3.13Å; T440-H443 WeakPolarHBondContact O-CB 3.24Å; T440-H443 PolarHBondContact O-N 3.42Å; T440-H443 PolarHBondContact OG1-ND1 2.86Å; P441-H443 VanDerWaalsContact C-N 3.31Å; P441-H443 PolarHBondContact O-N 2.96Å; H443-A447 VanDerWaalsContact O-CB 3.31Å; H443-A447 WeakPolarHBondContact O-CB 3.33Å; H443-A447 PolarHBondContact O-N 3.37Å; H443-A466 PolarHBondContact CE1-O 2.97Å; H443-A466 PolarHBondContact NE2-O 3.13Å; H443-A466 VanDerWaalsContact NE2-O 3.12Å; H443-R472 PolarHBondContact NE2-O 3.47Å; H443-A474 PolarHBondContact NE2-N 3Å; H443-Y477 HydrophobicContact CB-CD2 4.31Å; H443-Y477 HydrophobicContact CB-CE2 4.43Å; H443-Y477 AromaticContact CD2-CD2 3.6Å; H443-Y477 AromaticContact CD2-CE2 3.58Å |
| 444 | Y | 92.4 | Very high | 91.8 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 12% | 0.122 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.2 | -42.1 | 177.8 | -75.5 | -95.5 | 0 | 0 | 0 | 111.8 | R406 H410 A414 D435 R439 P441 L442 A446 A447 S448 | R406-Y444 WeakPolarHBondContact CD-OH 3.44Å; H410-Y444 HydrophobicContact CB-CD2 4.45Å; H410-Y444 AromaticContact CD2-CD2 3.73Å; H410-Y444 AromaticContact CD2-CE2 3.64Å; A414-Y444 HydrophobicContact CB-CD1 4.01Å; A414-Y444 HydrophobicContact CB-CG 4.49Å; D435-Y444 PolarHBondContact OD2-OH 3.09Å; R439-Y444 HydrophobicContact CB-CE2 3.97Å; R439-Y444 PolarHBondContact NE-OH 3.04Å; R439-Y444 PolarHBondContact NH2-OH 2.73Å; P441-Y444 PolarHBondContact O-N 3.49Å; P441-Y444 VanDerWaalsContact O-N 3.15Å; L442-Y444 VanDerWaalsContact C-N 3.29Å; L442-Y444 PolarHBondContact O-N 3.21Å; Y444-A446 VanDerWaalsContact C-N 3.32Å; Y444-A446 PolarHBondContact O-N 3.24Å; Y444-A447 PolarHBondContact O-N 3.16Å; Y444-S448 WeakPolarHBondContact O-CB 3.4Å; Y444-S448 PolarHBondContact O-N 3.25Å; Y444-S448 PolarHBondContact O-OG 3.15Å |
| 445 | A | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A413 P441 L442 R449 H450 C453 L454 L457 | A413-A445 HydrophobicContact CB-CB 4.19Å; P441-A445 PolarHBondContact O-N 3.12Å; L442-A445 PolarHBondContact O-N 3.28Å; A445-R449 PolarHBondContact O-N 3.29Å; A445-R449 VanDerWaalsContact O-N 3.17Å; A445-H450 PolarHBondContact O-N 3.08Å; A445-C453 HydrophobicContact CB-CB 4.45Å; A445-L454 HydrophobicContact CB-CB 4.15Å; A445-L457 HydrophobicContact CB-CD1 4.08Å |
| 446 | A | 91.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -45.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L442 Y444 S448 R449 L454 A474 A478 L513 | L442-A446 VanDerWaalsContact O-CB 3.32Å; L442-A446 WeakPolarHBondContact O-CB 3.17Å; L442-A446 PolarHBondContact O-N 3.23Å; Y444-A446 VanDerWaalsContact C-N 3.32Å; Y444-A446 PolarHBondContact O-N 3.24Å; A446-S448 VanDerWaalsContact C-N 3.32Å; A446-S448 PolarHBondContact O-N 3.43Å; A446-R449 PolarHBondContact O-N 3.03Å; A446-L454 HydrophobicContact CB-CD1 4.1Å; A446-A474 HydrophobicContact CB-CB 4.18Å; A446-A474 WeakPolarHBondContact CB-O 3.44Å; A446-A478 HydrophobicContact CB-CB 4.25Å; A446-L513 HydrophobicContact CB-CD1 4.4Å |
| 447 | A | 89.8 | Confident | 91.7 | Very high | 40 Ų | 40 | 27.2 Ų | 27.2 | 33% | 0.331 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -63.9 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H443 Y444 Y477 S481 | H443-A447 VanDerWaalsContact O-CB 3.31Å; H443-A447 WeakPolarHBondContact O-CB 3.33Å; H443-A447 PolarHBondContact O-N 3.37Å; Y444-A447 PolarHBondContact O-N 3.16Å; A447-Y477 HydrophobicContact CB-CD1 3.88Å; A447-Y477 HydrophobicContact CB-CG 4.41Å; A447-S481 WeakPolarHBondContact O-CB 3.43Å |
| 448 | S | 86.8 | Confident | 91.6 | Very high | 36 Ų | 36 | 27.1 Ų | 27.1 | 25% | 0.252 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 1.3 | 179.4 | -64.5 | 0 | 0 | 0 | 0 | 114.3 | A414 Y444 A446 H450 | A414-S448 PolarHBondContact O-OG 2.89Å; Y444-S448 WeakPolarHBondContact O-CB 3.4Å; Y444-S448 PolarHBondContact O-N 3.25Å; Y444-S448 PolarHBondContact O-OG 3.15Å; A446-S448 VanDerWaalsContact C-N 3.32Å; A446-S448 PolarHBondContact O-N 3.43Å; S448-H450 VanDerWaalsContact C-N 3.32Å; S448-H450 WeakPolarHBondContact CB-CD2 3.48Å; S448-H450 WeakPolarHBondContact CB-NE2 3.18Å; S448-H450 PolarHBondContact O-N 2.99Å |
| 449 | R | 86.8 | Confident | 91.6 | Very high | 48 Ų | 48 | 30.5 Ų | 30.5 | 18% | 0.181 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 36.8 | -176.8 | -54.1 | -173.4 | -177 | 169.7 | -10.5 | 114.5 | A445 A446 F451 S481 L483 A506 | A445-R449 PolarHBondContact O-N 3.29Å; A445-R449 VanDerWaalsContact O-N 3.17Å; A446-R449 PolarHBondContact O-N 3.03Å; R449-F451 PolarHBondContact O-N 3.13Å; R449-S481 VanDerWaalsContact CG-OG 3.23Å; R449-S481 WeakPolarHBondContact CG-OG 3.49Å; R449-S481 PolarHBondContact NE-O 3.04Å; R449-S481 PolarHBondContact NE-OG 3.38Å; R449-S481 PolarHBondContact NH2-O 3.12Å; R449-L483 HydrophobicContact CB-CD1 3.81Å; R449-L483 HydrophobicContact CG-CD1 3.88Å; R449-A506 VanDerWaalsContact CZ-CB 3.44Å |
| 450 | H | 88.6 | Confident | 91.2 | Very high | 51 Ų | 51 | 30.7 Ų | 30.7 | 24% | 0.236 | 17% | 0.174 | C | C | . | . | trans | -93.1 | 77.8 | 179.6 | -66.1 | -43.4 | 0 | 0 | 0 | 111.8 | A413 A414 G416 A445 S448 Q452 C453 L454 | A413-H450 PolarHBondContact O-CD2 2.94Å; A414-H450 PolarHBondContact O-NE2 3.41Å; G416-H450 WeakPolarHBondContact CA-CD2 3.41Å; G416-H450 WeakPolarHBondContact CA-NE2 3.28Å; G416-H450 PolarHBondContact N-CD2 2.99Å; A445-H450 PolarHBondContact O-N 3.08Å; S448-H450 VanDerWaalsContact C-N 3.32Å; S448-H450 WeakPolarHBondContact CB-CD2 3.48Å; S448-H450 WeakPolarHBondContact CB-NE2 3.18Å; S448-H450 PolarHBondContact O-N 2.99Å; H450-Q452 PolarHBondContact O-N 2.87Å; H450-C453 HydrophobicContact CB-CB 4.03Å; H450-C453 WeakPolarHBondContact O-CB 3.42Å; H450-C453 PolarHBondContact O-N 2.99Å; H450-C453 VanDerWaalsContact O-N 3.11Å; H450-L454 WeakPolarHBondContact O-CB 3.47Å; H450-L454 PolarHBondContact O-N 3.31Å | ||
| 451 | F | 89 | Confident | 90.8 | Very high | 53 Ų | 53 | 33.2 Ų | 33.2 | 23% | 0.232 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -50.3 | -50.1 | -174.5 | 170.7 | -103 | 0 | 0 | 0 | 113.6 | R449 C453 L454 E455 L508 C509 F512 | R449-F451 PolarHBondContact O-N 3.13Å; F451-C453 VanDerWaalsContact C-N 3.32Å; F451-C453 PolarHBondContact O-N 3.46Å; F451-L454 CarbonylContact O-C 3.6Å; F451-L454 WeakPolarHBondContact O-CB 3.37Å; F451-L454 PolarHBondContact O-N 3.11Å; F451-L454 VanDerWaalsContact O-N 3.14Å; F451-E455 WeakPolarHBondContact O-CB 3.2Å; F451-E455 PolarHBondContact O-N 2.85Å; F451-L508 HydrophobicContact CD2-CB 4.35Å; F451-C509 VanDerWaalsContact CA-SG 3.56Å; F451-C509 PolarHBondContact N-SG 2.76Å; F451-F512 HydrophobicContact CD2-CB 4.24Å; F451-F512 HydrophobicContact CD2-CG 4.48Å; F451-F512 HydrophobicContact CE2-CB 3.67Å; F451-F512 HydrophobicContact CE2-CD1 4.48Å; F451-F512 AromaticContact CE2-CD2 3.76Å; F451-F512 HydrophobicContact CE2-CD2 3.76Å; F451-F512 AromaticContact CE2-CG 3.71Å; F451-F512 HydrophobicContact CE2-CG 3.71Å; F451-F512 HydrophobicContact CZ-CD2 4.2Å |
| 452 | Q | 90.1 | Very high | 90.7 | Very high | 106 Ų | 106 | 33.5 Ų | 33.5 | 50% | 0.495 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.6 | -29.8 | -176.3 | -61.3 | 84.2 | 0.5 | 0 | 0 | 112.8 | V418 H450 T456 | V418-Q452 HydrophobicContact CG2-CB 3.3Å; V418-Q452 HydrophobicContact CG2-CG 4.42Å; H450-Q452 PolarHBondContact O-N 2.87Å; Q452-T456 WeakPolarHBondContact O-CB 3.41Å; Q452-T456 PolarHBondContact O-N 3.37Å; Q452-T456 VanDerWaalsContact O-N 3.1Å; Q452-T456 PolarHBondContact O-OG1 2.96Å |
| 453 | C | 90.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.9 | -41.8 | 172.1 | -71.4 | 0 | 0 | 0 | 0 | 110.6 | G416 V421 A445 H450 F451 T456 L457 | G416-C453 PolarHBondContact O-SG 3.28Å; G416-C453 VanDerWaalsContact O-SG 3.35Å; V421-C453 HydrophobicContact CG2-CB 4.26Å; A445-C453 HydrophobicContact CB-CB 4.45Å; H450-C453 HydrophobicContact CB-CB 4.03Å; H450-C453 WeakPolarHBondContact O-CB 3.42Å; H450-C453 PolarHBondContact O-N 2.99Å; H450-C453 VanDerWaalsContact O-N 3.11Å; F451-C453 VanDerWaalsContact C-N 3.32Å; F451-C453 PolarHBondContact O-N 3.46Å; C453-T456 PolarHBondContact O-N 3.16Å; C453-L457 WeakPolarHBondContact O-CB 3.41Å; C453-L457 VanDerWaalsContact O-CG 3.25Å; C453-L457 WeakPolarHBondContact O-CG 3.28Å; C453-L457 PolarHBondContact O-N 3.11Å |
| 454 | L | 91.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -49.6 | 176.2 | -172 | 155.5 | 0 | 0 | 0 | 110.9 | L442 A445 A446 H450 F451 T456 L457 V458 C509 F512 L513 | L442-L454 HydrophobicContact CD1-CD1 4.5Å; L442-L454 HydrophobicContact CD1-CD2 4.36Å; L442-L454 HydrophobicContact CD1-CG 3.76Å; A445-L454 HydrophobicContact CB-CB 4.15Å; A446-L454 HydrophobicContact CB-CD1 4.1Å; H450-L454 WeakPolarHBondContact O-CB 3.47Å; H450-L454 PolarHBondContact O-N 3.31Å; F451-L454 CarbonylContact O-C 3.6Å; F451-L454 WeakPolarHBondContact O-CB 3.37Å; F451-L454 PolarHBondContact O-N 3.11Å; F451-L454 VanDerWaalsContact O-N 3.14Å; L454-T456 VanDerWaalsContact C-N 3.33Å; L454-T456 PolarHBondContact O-N 3.28Å; L454-L457 PolarHBondContact O-N 3.04Å; L454-V458 HydrophobicContact CD2-CG2 4.15Å; L454-V458 WeakPolarHBondContact O-CG2 3.26Å; L454-V458 PolarHBondContact O-N 3.29Å; L454-C509 HydrophobicContact CD1-CB 3.96Å; L454-F512 HydrophobicContact CD2-CD1 3.28Å; L454-F512 HydrophobicContact CD2-CE1 3.61Å; L454-F512 HydrophobicContact CD2-CG 4.39Å; L454-L513 HydrophobicContact CD1-CD1 4.09Å; L454-L513 HydrophobicContact CD1-CD2 4.24Å; L454-L513 HydrophobicContact CD1-CG 4.08Å; L454-L513 HydrophobicContact CD2-CD2 3.91Å; L454-L513 HydrophobicContact CD2-CG 4.1Å; L454-L513 HydrophobicContact CG-CD2 4.37Å |
| 455 | E | 92.8 | Very high | 90.3 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 41% | 0.407 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.9 | -47 | 175.2 | -178.9 | -174.7 | -153.4 | 0 | 0 | 111.4 | F451 L457 V458 A459 F512 | F451-E455 WeakPolarHBondContact O-CB 3.2Å; F451-E455 PolarHBondContact O-N 2.85Å; E455-L457 VanDerWaalsContact C-N 3.34Å; E455-L457 PolarHBondContact O-N 3.31Å; E455-V458 PolarHBondContact O-N 2.84Å; E455-A459 WeakPolarHBondContact O-CB 3.44Å; E455-A459 PolarHBondContact O-N 3.3Å; E455-F512 HydrophobicContact CB-CE1 4.4Å; E455-F512 HydrophobicContact CB-CZ 4.08Å; E455-F512 HydrophobicContact CG-CE2 4.16Å; E455-F512 HydrophobicContact CG-CZ 3.92Å |
| 456 | T | 92.8 | Very high | 90.3 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.9 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | V421 K422 L425 Q452 C453 L454 C460 | V421-T456 HydrophobicContact CG1-CG2 4.07Å; K422-T456 HydrophobicContact CG-CG2 3.9Å; L425-T456 HydrophobicContact CD1-CG2 4.26Å; Q452-T456 WeakPolarHBondContact O-CB 3.41Å; Q452-T456 PolarHBondContact O-N 3.37Å; Q452-T456 VanDerWaalsContact O-N 3.1Å; Q452-T456 PolarHBondContact O-OG1 2.96Å; C453-T456 PolarHBondContact O-N 3.16Å; L454-T456 VanDerWaalsContact C-N 3.33Å; L454-T456 PolarHBondContact O-N 3.28Å; T456-C460 PolarHBondContact O-N 3.3Å; T456-C460 PolarHBondContact O-SG 3.14Å |
| 457 | L | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67 | -43 | 177.9 | -71.8 | 167.4 | 0 | 0 | 0 | 111.6 | L409 A413 V421 L425 P441 L442 A445 C453 L454 E455 C460 I462 | L409-L457 HydrophobicContact CD1-CD2 4.37Å; L409-L457 HydrophobicContact CD2-CD2 4.29Å; L409-L457 HydrophobicContact CG-CD2 4.42Å; A413-L457 HydrophobicContact CB-CD1 4.07Å; V421-L457 HydrophobicContact CG1-CD2 4.11Å; V421-L457 HydrophobicContact CG1-CG 4.25Å; L425-L457 HydrophobicContact CD1-CD2 4.45Å; P441-L457 HydrophobicContact CB-CD1 4.11Å; P441-L457 HydrophobicContact CB-CD2 4.26Å; L442-L457 HydrophobicContact CD1-CB 4.31Å; A445-L457 HydrophobicContact CB-CD1 4.08Å; C453-L457 WeakPolarHBondContact O-CB 3.41Å; C453-L457 VanDerWaalsContact O-CG 3.25Å; C453-L457 WeakPolarHBondContact O-CG 3.28Å; C453-L457 PolarHBondContact O-N 3.11Å; L454-L457 PolarHBondContact O-N 3.04Å; E455-L457 VanDerWaalsContact C-N 3.34Å; E455-L457 PolarHBondContact O-N 3.31Å; L457-C460 WeakPolarHBondContact O-CB 3.37Å; L457-C460 PolarHBondContact O-N 3.15Å; L457-C460 VanDerWaalsContact O-N 3.16Å; L457-I462 HydrophobicContact CB-CG2 4.29Å; L457-I462 VanDerWaalsContact O-CG2 3.3Å; L457-I462 WeakPolarHBondContact O-CG2 3.25Å |
| 458 | V | 92.5 | Very high | 90.5 | Very high | 24 Ų | 24 | 40.5 Ų | 40.5 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | L442 L454 E455 C460 G461 I462 I464 F512 | L442-V458 HydrophobicContact CD1-CG2 3.81Å; L454-V458 HydrophobicContact CD2-CG2 4.15Å; L454-V458 WeakPolarHBondContact O-CG2 3.26Å; L454-V458 PolarHBondContact O-N 3.29Å; E455-V458 PolarHBondContact O-N 2.84Å; V458-C460 PolarHBondContact O-N 2.92Å; V458-C460 VanDerWaalsContact O-N 3.15Å; V458-G461 PolarHBondContact O-N 3.36Å; V458-I462 HydrophobicContact CG2-CG2 4.37Å; V458-I464 HydrophobicContact CG1-CD1 3.95Å; V458-I464 HydrophobicContact CG1-CG1 4.41Å; V458-I464 HydrophobicContact CG2-CG1 4.27Å; V458-F512 HydrophobicContact CB-CE1 3.96Å; V458-F512 HydrophobicContact CB-CZ 4.41Å; V458-F512 HydrophobicContact CG1-CE1 4.1Å; V458-F512 HydrophobicContact CG1-CZ 4.35Å; V458-F512 HydrophobicContact CG2-CE1 4Å |
| 459 | A | 91.4 | Very high | 90.9 | Very high | 86 Ų | 86 | 42.9 Ų | 42.9 | 71% | 0.711 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.4 | -22.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E455 G461 | E455-A459 WeakPolarHBondContact O-CB 3.44Å; E455-A459 PolarHBondContact O-N 3.3Å; A459-G461 VanDerWaalsContact C-N 3.33Å |
| 460 | C | 87.7 | Confident | 91 | Very high | 55 Ų | 55 | 45 Ų | 45 | 37% | 0.372 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1 | 176.5 | -65.6 | 0 | 0 | 0 | 0 | 114.1 | T456 L457 V458 | T456-C460 PolarHBondContact O-N 3.3Å; T456-C460 PolarHBondContact O-SG 3.14Å; L457-C460 WeakPolarHBondContact O-CB 3.37Å; L457-C460 PolarHBondContact O-N 3.15Å; L457-C460 VanDerWaalsContact O-N 3.16Å; V458-C460 PolarHBondContact O-N 2.92Å; V458-C460 VanDerWaalsContact O-N 3.15Å |
| 461 | G | 87.4 | Confident | 91.1 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 58% | 0.577 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.5 | 17.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | V458 A459 | V458-G461 PolarHBondContact O-N 3.36Å; A459-G461 VanDerWaalsContact C-N 3.33Å |
| 462 | I | 91.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | trans | -62.1 | 140.3 | 175.7 | -163.2 | 170.4 | 0 | 0 | 0 | 111.4 | H431 L442 L457 V458 I464 | H431-I462 WeakPolarHBondContact O-CD1 3.4Å; L442-I462 HydrophobicContact CB-CD1 3.64Å; L442-I462 HydrophobicContact CB-CG2 4.39Å; L442-I462 HydrophobicContact CD1-CG2 4.25Å; L442-I462 HydrophobicContact CD2-CG2 4.07Å; L442-I462 HydrophobicContact CG-CG2 4.48Å; L457-I462 HydrophobicContact CB-CG2 4.29Å; L457-I462 VanDerWaalsContact O-CG2 3.3Å; L457-I462 WeakPolarHBondContact O-CG2 3.25Å; V458-I462 HydrophobicContact CG2-CG2 4.37Å; I462-I464 PolarHBondContact O-N 3.1Å; I462-I464 VanDerWaalsContact O-N 3.14Å | ||
| 463 | D | 90.1 | Very high | 91.4 | Very high | 87 Ų | 87 | 38.1 Ų | 38.1 | 47% | 0.465 | 22% | 0.224 | S | C | . | . | trans | -67 | 111.9 | 174.3 | 179.1 | 12.2 | 0 | 0 | 0 | 111.1 | N465 A466 | D463-N465 VanDerWaalsContact C-N 3.32Å; D463-N465 PolarHBondContact O-N 2.96Å; D463-N465 PolarHBondContact OD1-N 2.89Å; D463-A466 HydrophobicContact CB-CB 4.13Å; D463-A466 WeakPolarHBondContact O-CB 3.3Å; D463-A466 PolarHBondContact O-N 3.16Å; D463-A466 PolarHBondContact OD1-N 3.28Å; D463-A466 PolarHBondContact OD2-N 3.22Å | ||
| 464 | I | 90.6 | Very high | 91.5 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -34.4 | -177 | -59.5 | 172.3 | 0 | 0 | 0 | 111.4 | V458 I462 L513 S516 A518 | V458-I464 HydrophobicContact CG1-CD1 3.95Å; V458-I464 HydrophobicContact CG1-CG1 4.41Å; V458-I464 HydrophobicContact CG2-CG1 4.27Å; I462-I464 PolarHBondContact O-N 3.1Å; I462-I464 VanDerWaalsContact O-N 3.14Å; I464-L513 HydrophobicContact CG2-CD2 3.9Å; I464-S516 WeakPolarHBondContact CD1-O 3.37Å; I464-A518 HydrophobicContact CG2-CB 3.67Å |
| 465 | N | 90.3 | Very high | 91.5 | Very high | 50 Ų | 50 | 38.2 Ų | 38.2 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 8.2 | -175.7 | -66.6 | -46.1 | 0 | 0 | 0 | 112.4 | D463 T467 G517 A518 T519 | D463-N465 VanDerWaalsContact C-N 3.32Å; D463-N465 PolarHBondContact O-N 2.96Å; D463-N465 PolarHBondContact OD1-N 2.89Å; N465-T467 PolarHBondContact O-N 3.23Å; N465-G517 PolarHBondContact ND2-O 3.11Å; N465-A518 WeakPolarHBondContact OD1-CA 3.36Å; N465-T519 PolarHBondContact OD1-N 3.43Å; N465-T519 PolarHBondContact OD1-OG1 2.8Å |
| 466 | A | 92.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | trans | -55.1 | 128 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T440 H443 D463 | T440-A466 HydrophobicContact CG2-CB 4.31Å; H443-A466 PolarHBondContact CE1-O 2.97Å; H443-A466 PolarHBondContact NE2-O 3.13Å; H443-A466 VanDerWaalsContact NE2-O 3.12Å; D463-A466 HydrophobicContact CB-CB 4.13Å; D463-A466 WeakPolarHBondContact O-CB 3.3Å; D463-A466 PolarHBondContact O-N 3.16Å; D463-A466 PolarHBondContact OD1-N 3.28Å; D463-A466 PolarHBondContact OD2-N 3.22Å | ||
| 467 | T | 93.1 | Very high | 91.4 | Very high | 52 Ų | 52 | 35 Ų | 35 | 32% | 0.319 | 21% | 0.206 | S | C | . | . | B | Isolated β-bridge | trans | -102.7 | 148.2 | 178.5 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | R434 N465 G471 R472 V522 | R434-T467 PolarHBondContact NH1-O 2.77Å; N465-T467 PolarHBondContact O-N 3.23Å; T467-G471 WeakPolarHBondContact CG2-O 3.49Å; T467-R472 WeakPolarHBondContact CA-O 3.32Å; T467-V522 HydrophobicContact CG2-CG1 4.12Å |
| 468 | D | 93.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | trans | -73.2 | -179.7 | 169.8 | 80 | -1.7 | 0 | 0 | 0 | 111.9 | C437 R439 W470 G471 R472 Y477 | C437-D468 WeakPolarHBondContact O-CB 3.48Å; R439-D468 HydrophobicContact CG-CB 3.74Å; D468-W470 PolarHBondContact O-N 2.81Å; D468-W470 VanDerWaalsContact OD1-CA 3.29Å; D468-W470 WeakPolarHBondContact OD1-CA 3.46Å; D468-W470 WeakPolarHBondContact OD1-CB 3.39Å; D468-W470 PolarHBondContact OD1-N 2.87Å; D468-G471 PolarHBondContact O-N 3.39Å; D468-G471 PolarHBondContact OD1-N 3.41Å; D468-R472 PolarHBondContact N-O 3.46Å; D468-R472 PolarHBondContact OD1-N 3.28Å; D468-R472 IonicContact OD1-NE 2.98Å; D468-R472 IonicContact OD2-CZ 2.61Å; D468-R472 VanDerWaalsContact OD2-CZ 3.26Å; D468-R472 IonicContact OD2-NE 3.64Å; D468-R472 PolarHBondContact OD2-NE 3.18Å; D468-R472 IonicContact OD2-NH2 2.91Å; D468-R472 PolarHBondContact OD2-NH2 2.79Å; D468-Y477 PolarHBondContact OD2-OH 3.16Å | ||
| 469 | Q | 93.5 | Very high | 91.2 | Very high | 85 Ų | 85 | 33.9 Ų | 33.9 | 40% | 0.397 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -14.8 | 179.5 | 71.4 | -178.8 | -11 | 0 | 0 | 114.4 | C437 K525 | C437-Q469 HydrophobicContact CB-CG 4.46Å; C437-Q469 WeakPolarHBondContact O-CB 3.49Å; C437-Q469 WeakPolarHBondContact O-CG 3.5Å; C437-Q469 PolarHBondContact O-N 3.15Å; Q469-K525 WeakPolarHBondContact O-CE 3.3Å; Q469-K525 PolarHBondContact O-NZ 3.43Å |
| 470 | W | 89.6 | Confident | 91 | Very high | 93 Ų | 93 | 30.8 Ų | 30.8 | 35% | 0.352 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 1.8 | 176.3 | -64.8 | -83.7 | 0 | 0 | 0 | 112.5 | C437 D468 R472 D524 K525 | C437-W470 HydrophobicContact CB-CH2 4.33Å; C437-W470 HydrophobicContact CB-CZ3 3.77Å; D468-W470 PolarHBondContact O-N 2.81Å; D468-W470 VanDerWaalsContact OD1-CA 3.29Å; D468-W470 WeakPolarHBondContact OD1-CA 3.46Å; D468-W470 WeakPolarHBondContact OD1-CB 3.39Å; D468-W470 PolarHBondContact OD1-N 2.87Å; W470-R472 HydrophobicContact CB-CG 4.43Å; W470-D524 WeakPolarHBondContact O-CB 3.37Å; W470-K525 WeakPolarHBondContact O-CG 3.31Å; W470-K525 PolarHBondContact O-N 3.25Å |
| 471 | G | 90.4 | Very high | 90.9 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 85 | 9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | T467 D468 | T467-G471 WeakPolarHBondContact CG2-O 3.49Å; D468-G471 PolarHBondContact O-N 3.39Å; D468-G471 PolarHBondContact OD1-N 3.41Å |
| 472 | R | 92.3 | Very high | 90 | Very high | 51 Ų | 51 | 28 Ų | 28 | 19% | 0.192 | 14% | 0.143 | C | C | . | . | trans | -87.1 | 128.8 | -179.3 | -58.8 | 176.4 | -60.1 | -155.2 | -2.9 | 110.2 | H443 T467 D468 W470 H476 Y477 D524 Y533 | H443-R472 PolarHBondContact NE2-O 3.47Å; T467-R472 WeakPolarHBondContact CA-O 3.32Å; D468-R472 PolarHBondContact N-O 3.46Å; D468-R472 PolarHBondContact OD1-N 3.28Å; D468-R472 IonicContact OD1-NE 2.98Å; D468-R472 IonicContact OD2-CZ 2.61Å; D468-R472 VanDerWaalsContact OD2-CZ 3.26Å; D468-R472 IonicContact OD2-NE 3.64Å; D468-R472 PolarHBondContact OD2-NE 3.18Å; D468-R472 IonicContact OD2-NH2 2.91Å; D468-R472 PolarHBondContact OD2-NH2 2.79Å; W470-R472 HydrophobicContact CB-CG 4.43Å; R472-H476 HydrophobicContact CB-CB 4.04Å; R472-Y477 HydrophobicContact CB-CE2 4.02Å; R472-Y477 PolarHBondContact NH2-OH 2.95Å; R472-D524 HydrophobicContact CG-CB 3.77Å; R472-Y533 WeakPolarHBondContact CD-OH 3.47Å | ||
| 473 | S | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -87.1 | 170 | 172.2 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | L475 H476 Y477 | S473-L475 PolarHBondContact O-N 2.81Å; S473-L475 VanDerWaalsContact O-N 3.12Å; S473-L475 PolarHBondContact OG-N 3.47Å; S473-H476 PolarHBondContact N-ND1 3.08Å; S473-H476 VanDerWaalsContact N-ND1 3.11Å; S473-H476 WeakPolarHBondContact O-CB 3.5Å; S473-H476 PolarHBondContact O-N 3.16Å; S473-H476 PolarHBondContact OG-ND1 3.07Å; S473-Y477 WeakPolarHBondContact O-CD2 3.27Å; S473-Y477 PolarHBondContact O-N 3.17Å |
| 474 | A | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.7 | -30.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L442 H443 A446 Y477 A478 L513 | L442-A474 HydrophobicContact CD2-CB 3.79Å; L442-A474 HydrophobicContact CG-CB 3.84Å; H443-A474 PolarHBondContact NE2-N 3Å; A446-A474 HydrophobicContact CB-CB 4.18Å; A446-A474 WeakPolarHBondContact CB-O 3.44Å; A474-Y477 PolarHBondContact O-N 3.08Å; A474-A478 PolarHBondContact O-N 2.83Å; A474-L513 HydrophobicContact CB-CD1 4.32Å |
| 475 | L | 91.8 | Very high | 84.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -36.5 | 176.5 | -169.3 | 64.3 | 0 | 0 | 0 | 112.7 | S473 Y477 A478 A479 L510 L513 L514 A518 A520 P530 L546 | S473-L475 PolarHBondContact O-N 2.81Å; S473-L475 VanDerWaalsContact O-N 3.12Å; S473-L475 PolarHBondContact OG-N 3.47Å; L475-Y477 VanDerWaalsContact C-N 3.33Å; L475-A478 PolarHBondContact O-N 2.82Å; L475-A479 VanDerWaalsContact O-CB 3.3Å; L475-A479 WeakPolarHBondContact O-CB 3.42Å; L475-A479 PolarHBondContact O-N 3.11Å; L475-L510 HydrophobicContact CD1-CD1 4.14Å; L475-L510 HydrophobicContact CD1-CG 3.79Å; L475-L513 HydrophobicContact CD1-CB 4.13Å; L475-L513 HydrophobicContact CD1-CD1 4.41Å; L475-L514 HydrophobicContact CD1-CD2 4.07Å; L475-L514 HydrophobicContact CD1-CG 4.07Å; L475-L514 HydrophobicContact CD2-CD2 3.75Å; L475-A518 HydrophobicContact CB-CB 4.5Å; L475-A518 HydrophobicContact CD1-CB 4.48Å; L475-A518 HydrophobicContact CD2-CB 4.17Å; L475-A520 HydrophobicContact CD2-CB 4.35Å; L475-P530 HydrophobicContact CB-CG 4.37Å; L475-P530 HydrophobicContact CD2-CB 4.39Å; L475-P530 HydrophobicContact CD2-CG 3.94Å; L475-P530 HydrophobicContact CG-CB 4.17Å; L475-P530 HydrophobicContact CG-CG 4Å; L475-L546 HydrophobicContact CD2-CD2 4.24Å |
| 476 | H | 91.6 | Very high | 82.2 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 173.7 | -68.2 | 78 | 0 | 0 | 0 | 111.3 | R472 S473 A479 A480 V522 Y528 P530 Y533 | R472-H476 HydrophobicContact CB-CB 4.04Å; S473-H476 PolarHBondContact N-ND1 3.08Å; S473-H476 VanDerWaalsContact N-ND1 3.11Å; S473-H476 WeakPolarHBondContact O-CB 3.5Å; S473-H476 PolarHBondContact O-N 3.16Å; S473-H476 PolarHBondContact OG-ND1 3.07Å; H476-A479 PolarHBondContact O-N 3.38Å; H476-A480 VanDerWaalsContact O-CB 3.31Å; H476-A480 WeakPolarHBondContact O-CB 3.35Å; H476-A480 PolarHBondContact O-N 3.42Å; H476-V522 PolarHBondContact CE1-O 3.18Å; H476-V522 PolarHBondContact NE2-O 3.1Å; H476-Y528 PolarHBondContact NE2-O 2.94Å; H476-P530 WeakPolarHBondContact NE2-CD 3.15Å; H476-Y533 AromaticContact CD2-CD2 3.7Å; H476-Y533 AromaticContact CD2-CE2 3.61Å |
| 477 | Y | 91.4 | Very high | 80 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.9 | -38.5 | 177.7 | -77.2 | -86.6 | 0 | 0 | 0 | 112.2 | R439 H443 A447 D468 R472 S473 A474 L475 A480 S481 | R439-Y477 WeakPolarHBondContact CD-OH 3.45Å; H443-Y477 HydrophobicContact CB-CD2 4.31Å; H443-Y477 HydrophobicContact CB-CE2 4.43Å; H443-Y477 AromaticContact CD2-CD2 3.6Å; H443-Y477 AromaticContact CD2-CE2 3.58Å; A447-Y477 HydrophobicContact CB-CD1 3.88Å; A447-Y477 HydrophobicContact CB-CG 4.41Å; D468-Y477 PolarHBondContact OD2-OH 3.16Å; R472-Y477 HydrophobicContact CB-CE2 4.02Å; R472-Y477 PolarHBondContact NH2-OH 2.95Å; S473-Y477 WeakPolarHBondContact O-CD2 3.27Å; S473-Y477 PolarHBondContact O-N 3.17Å; A474-Y477 PolarHBondContact O-N 3.08Å; L475-Y477 VanDerWaalsContact C-N 3.33Å; Y477-A480 CarbonylContact O-C 3.59Å; Y477-A480 PolarHBondContact O-N 2.92Å; Y477-S481 WeakPolarHBondContact O-CA 3.46Å; Y477-S481 VanDerWaalsContact O-CB 3.31Å; Y477-S481 WeakPolarHBondContact O-CB 3.42Å; Y477-S481 PolarHBondContact O-N 3.27Å |
| 478 | A | 90.6 | Very high | 77.6 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A446 A474 L475 A480 S481 L510 L513 | A446-A478 HydrophobicContact CB-CB 4.25Å; A474-A478 PolarHBondContact O-N 2.83Å; L475-A478 PolarHBondContact O-N 2.82Å; A478-A480 VanDerWaalsContact C-N 3.25Å; A478-A480 PolarHBondContact O-N 3Å; A478-S481 WeakPolarHBondContact O-CB 3.48Å; A478-S481 PolarHBondContact O-N 3.27Å; A478-S481 PolarHBondContact O-OG 2.93Å; A478-L510 HydrophobicContact CB-CB 4.07Å; A478-L513 HydrophobicContact CB-CD1 3.96Å |
| 479 | A | 89.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -25 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L475 H476 L510 P530 A534 H539 | L475-A479 VanDerWaalsContact O-CB 3.3Å; L475-A479 WeakPolarHBondContact O-CB 3.42Å; L475-A479 PolarHBondContact O-N 3.11Å; H476-A479 PolarHBondContact O-N 3.38Å; A479-L510 HydrophobicContact CB-CD1 3.86Å; A479-P530 HydrophobicContact CB-CB 4.07Å; A479-P530 WeakPolarHBondContact CB-O 3.47Å; A479-A534 HydrophobicContact CB-CB 4.18Å; A479-A534 WeakPolarHBondContact O-CA 3.18Å; A479-H539 PolarHBondContact O-CD2 3.2Å; A479-H539 VanDerWaalsContact O-CD2 3.23Å |
| 480 | A | 88.8 | Confident | 72.7 | Confident | 20 Ų | 20 | 67.5 Ų | 67.5 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -6.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | H476 Y477 A478 D482 Y533 F537 | H476-A480 VanDerWaalsContact O-CB 3.31Å; H476-A480 WeakPolarHBondContact O-CB 3.35Å; H476-A480 PolarHBondContact O-N 3.42Å; Y477-A480 CarbonylContact O-C 3.59Å; Y477-A480 PolarHBondContact O-N 2.92Å; A478-A480 VanDerWaalsContact C-N 3.25Å; A478-A480 PolarHBondContact O-N 3Å; A480-D482 PolarHBondContact O-N 3.43Å; A480-Y533 HydrophobicContact CB-CD1 3.79Å; A480-Y533 HydrophobicContact CB-CG 4.41Å; A480-F537 HydrophobicContact CB-CD2 3.88Å; A480-F537 HydrophobicContact CB-CE2 3.64Å; A480-F537 HydrophobicContact CB-CZ 4.28Å |
| 481 | S | 84.9 | Confident | 70.4 | Confident | 7 Ų | 7 | 71 Ų | 71 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | trans | -66.3 | 119.8 | -170.7 | 64.8 | 0 | 0 | 0 | 0 | 108.4 | A447 R449 Y477 A478 H539 | A447-S481 WeakPolarHBondContact O-CB 3.43Å; R449-S481 VanDerWaalsContact CG-OG 3.23Å; R449-S481 WeakPolarHBondContact CG-OG 3.49Å; R449-S481 PolarHBondContact NE-O 3.04Å; R449-S481 PolarHBondContact NE-OG 3.38Å; R449-S481 PolarHBondContact NH2-O 3.12Å; Y477-S481 WeakPolarHBondContact O-CA 3.46Å; Y477-S481 VanDerWaalsContact O-CB 3.31Å; Y477-S481 WeakPolarHBondContact O-CB 3.42Å; Y477-S481 PolarHBondContact O-N 3.27Å; A478-S481 WeakPolarHBondContact O-CB 3.48Å; A478-S481 PolarHBondContact O-N 3.27Å; A478-S481 PolarHBondContact O-OG 2.93Å; S481-H539 PolarHBondContact O-NE2 3.47Å | ||
| 482 | D | 68.4 | Low | 68.1 | Low | 47 Ų | 47 | 78.3 Ų | 78.3 | 25% | 0.251 | 36% | 0.363 | S | S | . | . | trans | -129.7 | 110.1 | 175.3 | -177.6 | 13.5 | 0 | 0 | 0 | 109.2 | A480 D484 F537 | A480-D482 PolarHBondContact O-N 3.43Å; D482-D484 VanDerWaalsContact C-N 3.31Å; D482-D484 WeakPolarHBondContact OD1-CB 3.43Å; D482-D484 PolarHBondContact OD1-N 3.01Å; D482-F537 HydrophobicContact CB-CD1 4.27Å | ||
| 483 | L | 54.8 | Low | 65.8 | Low | 83 Ų | 83 | 82.3 Ų | 82.3 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -75.5 | -23.8 | 176.4 | -115.4 | 110.7 | 0 | 0 | 0 | 111.7 | R449 | R449-L483 HydrophobicContact CB-CD1 3.81Å; R449-L483 HydrophobicContact CG-CD1 3.88Å |
| 484 | D | 50.6 | Low | 63.6 | Low | 38 Ų | 38 | 86.7 Ų | 86.7 | 20% | 0.203 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -84 | -22.6 | -164 | -75.3 | -33.4 | 0 | 0 | 0 | 113.7 | D482 R486 R487 R488 | D482-D484 VanDerWaalsContact C-N 3.31Å; D482-D484 WeakPolarHBondContact OD1-CB 3.43Å; D482-D484 PolarHBondContact OD1-N 3.01Å; D484-R486 PolarHBondContact O-N 3.47Å; D484-R486 VanDerWaalsContact O-N 3.08Å; D484-R487 PolarHBondContact O-N 3.35Å; D484-R488 HydrophobicContact CB-CG 4.45Å; D484-R488 WeakPolarHBondContact O-CG 3.41Å; D484-R488 PolarHBondContact O-N 3.46Å |
| 485 | R | 49.2 | Very low | 61.9 | Low | 189 Ų | 189 | 90.4 Ų | 90.4 | 71% | 0.713 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -56.8 | -25.8 | 172.7 | -100.1 | -175.6 | 177.8 | -161 | 2.3 | 114 | ||
| 486 | R | 44.9 | Very low | 60.1 | Low | 241 Ų | 241 | 98.5 Ų | 98.5 | 91% | 0.909 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -86 | -18.7 | 173.6 | -77.9 | -176.7 | 177 | 173.4 | 0.6 | 114 | D484 | D484-R486 PolarHBondContact O-N 3.47Å; D484-R486 VanDerWaalsContact O-N 3.08Å |
| 487 | R | 44.4 | Very low | 58.4 | Low | 191 Ų | 191 | 100.8 Ų | 100.8 | 72% | 0.721 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -18.9 | -177.8 | -89.2 | -175.7 | 177 | -177.6 | 0.5 | 114.8 | D484 V489 | D484-R487 PolarHBondContact O-N 3.35Å; R487-V489 PolarHBondContact O-N 3.41Å |
| 488 | R | 43.4 | Very low | 56.7 | Low | 188 Ų | 188 | 101.7 Ų | 101.7 | 71% | 0.709 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 17.1 | -179.2 | -80 | -175.1 | -172.9 | -160.7 | 3.7 | 116.5 | D484 | D484-R488 HydrophobicContact CB-CG 4.45Å; D484-R488 WeakPolarHBondContact O-CG 3.41Å; D484-R488 PolarHBondContact O-N 3.46Å |
| 489 | V | 40.4 | Very low | 55.2 | Low | 140 Ų | 140 | 104.1 Ų | 104.1 | 85% | 0.848 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -11.8 | 173.3 | -179.8 | 0 | 0 | 0 | 0 | 112.5 | R487 | R487-V489 PolarHBondContact O-N 3.41Š|
| 490 | A | 44.1 | Very low | 53.8 | Low | 73 Ų | 73 | 106.8 Ų | 106.8 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -162.2 | 115.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 491 | L | 41.2 | Very low | 52.3 | Low | 167 Ų | 167 | 112.5 Ų | 112.5 | 87% | 0.874 | 57% | 0.57 | S | S | * | * | trans | 168.7 | 152.7 | 136.1 | -87.2 | 151.9 | 0 | 0 | 0 | 110.4 | ||||
| 492 | E | 41.4 | Very low | 51.2 | Low | 167 Ų | 167 | 117.1 Ų | 117.1 | 78% | 0.78 | 59% | 0.586 | S | S | * | * | trans | -52.5 | 157.3 | -176.9 | -65.7 | 178.7 | 169.5 | 0 | 0 | 113.6 | E494 | E492-E494 PolarHBondContact O-N 2.94Š| ||
| 493 | P | 44.5 | Very low | 51 | Low | 136 Ų | 136 | 117.2 Ų | 117.2 | 88% | 0.883 | 59% | 0.586 | S | S | * | * | trans | -57.5 | 111.5 | 177.1 | 22.6 | -32.4 | 0 | 0 | 0 | 110.6 | ||||
| 494 | E | 47.8 | Very low | 51.4 | Low | 92 Ų | 92 | 119.6 Ų | 119.6 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | trans | -72.3 | 149.9 | 176.8 | -65.6 | -175.5 | 151.7 | 0 | 0 | 110.6 | E492 R502 | E492-E494 PolarHBondContact O-N 2.94Å; E494-R502 IonicContact OE1-CZ 3.74Å; E494-R502 IonicContact OE1-NH1 2.73Å; E494-R502 PolarHBondContact OE1-NH1 3.23Å; E494-R502 IonicContact OE1-NH2 3.52Å; E494-R502 PolarHBondContact OE1-NH2 2.93Å; E494-R502 IonicContact OE2-CZ 3.12Å; E494-R502 VanDerWaalsContact OE2-CZ 3.29Å; E494-R502 IonicContact OE2-NH1 3.33Å; E494-R502 PolarHBondContact OE2-NH1 3.45Å; E494-R502 IonicContact OE2-NH2 2.97Å | ||
| 495 | S | 55.9 | Low | 51.9 | Low | 77 Ų | 77 | 124.3 Ų | 124.3 | 54% | 0.538 | 61% | 0.613 | S | S | . | * | trans | -64.2 | 140.1 | 178.5 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | G497 V498 | S495-G497 PolarHBondContact O-N 3.27Å; S495-V498 PolarHBondContact O-N 2.83Å; S495-V498 WeakPolarHBondContact OG-CG2 3.2Å | ||
| 496 | E | 54.1 | Low | 52.7 | Low | 171 Ų | 171 | 115.9 Ų | 115.9 | 80% | 0.799 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -49.7 | -35.9 | -177.2 | -67.5 | -175 | 153.2 | 0 | 0 | 114.9 | V498 Q499 A500 | E496-V498 PolarHBondContact O-N 3.11Å; E496-Q499 PolarHBondContact O-N 2.62Å; E496-A500 PolarHBondContact O-N 3.29Å; E496-A500 VanDerWaalsContact O-N 3.14Å |
| 497 | G | 56.1 | Low | 54.3 | Low | 50 Ų | 50 | 104.4 Ų | 104.4 | 52% | 0.515 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.1 | -33.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S495 E501 | S495-G497 PolarHBondContact O-N 3.27Å; G497-E501 PolarHBondContact O-N 2.94Å |
| 498 | V | 55.4 | Low | 56.3 | Low | 56 Ų | 56 | 98.7 Ų | 98.7 | 34% | 0.339 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -77.2 | -33.7 | 179.2 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | S495 E496 R502 | S495-V498 PolarHBondContact O-N 2.83Å; S495-V498 WeakPolarHBondContact OG-CG2 3.2Å; E496-V498 PolarHBondContact O-N 3.11Å; V498-R502 WeakPolarHBondContact O-CG 3.24Å; V498-R502 PolarHBondContact O-N 3.02Å; V498-R502 VanDerWaalsContact O-N 3.1Å |
| 499 | Q | 58.7 | Low | 58.4 | Low | 53 Ų | 53 | 89.9 Ų | 89.9 | 25% | 0.248 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.8 | -176.2 | 61.4 | 27.4 | 0 | 0 | 111 | E496 E501 R502 E503 | E496-Q499 PolarHBondContact O-N 2.62Å; Q499-E501 PolarHBondContact O-N 3.3Å; Q499-R502 PolarHBondContact O-N 3.24Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.48Å; Q499-E503 PolarHBondContact NE2-OE1 3.23Å; Q499-E503 WeakPolarHBondContact O-CB 3.45Å; Q499-E503 WeakPolarHBondContact O-CG 3.39Å; Q499-E503 PolarHBondContact O-N 3.4Å |
| 500 | A | 59.9 | Low | 60.7 | Low | 57 Ų | 57 | 83.2 Ų | 83.2 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E496 E503 K504 | E496-A500 PolarHBondContact O-N 3.29Å; E496-A500 VanDerWaalsContact O-N 3.14Å; A500-E503 PolarHBondContact O-N 2.9Å; A500-K504 WeakPolarHBondContact O-CB 3.4Å; A500-K504 PolarHBondContact O-N 2.82Å |
| 501 | E | 58.2 | Low | 62.9 | Low | 140 Ų | 140 | 82.8 Ų | 82.8 | 65% | 0.654 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.9 | -40.2 | 175.7 | -72.1 | -171.3 | 163.2 | 0 | 0 | 112.1 | G497 Q499 K504 E505 | G497-E501 PolarHBondContact O-N 2.94Å; Q499-E501 PolarHBondContact O-N 3.3Å; E501-K504 WeakPolarHBondContact O-CB 3.24Å; E501-K504 PolarHBondContact O-N 3.06Å; E501-E505 PolarHBondContact O-N 3.24Å |
| 502 | R | 60.7 | Low | 65.3 | Low | 103 Ų | 103 | 76.6 Ų | 76.6 | 39% | 0.389 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.8 | -35.9 | 175.2 | -72.9 | -179.3 | -174.1 | 173.1 | 12.6 | 112.9 | E494 V498 Q499 K504 E505 A506 | E494-R502 IonicContact OE1-CZ 3.74Å; E494-R502 IonicContact OE1-NH1 2.73Å; E494-R502 PolarHBondContact OE1-NH1 3.23Å; E494-R502 IonicContact OE1-NH2 3.52Å; E494-R502 PolarHBondContact OE1-NH2 2.93Å; E494-R502 IonicContact OE2-CZ 3.12Å; E494-R502 VanDerWaalsContact OE2-CZ 3.29Å; E494-R502 IonicContact OE2-NH1 3.33Å; E494-R502 PolarHBondContact OE2-NH1 3.45Å; E494-R502 IonicContact OE2-NH2 2.97Å; V498-R502 WeakPolarHBondContact O-CG 3.24Å; V498-R502 PolarHBondContact O-N 3.02Å; V498-R502 VanDerWaalsContact O-N 3.1Å; Q499-R502 PolarHBondContact O-N 3.24Å; R502-K504 VanDerWaalsContact C-N 3.32Å; R502-E505 PolarHBondContact O-N 2.89Å; R502-A506 VanDerWaalsContact O-CB 3.31Å; R502-A506 WeakPolarHBondContact O-CB 3.27Å; R502-A506 PolarHBondContact O-N 3.25Å |
| 503 | E | 64.5 | Low | 67.6 | Low | 50 Ų | 50 | 68.6 Ų | 68.6 | 23% | 0.234 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 173.5 | -78.3 | 177.5 | -166.4 | 0 | 0 | 112 | Q499 A500 A506 A507 | Q499-E503 WeakPolarHBondContact CG-OE1 3.48Å; Q499-E503 PolarHBondContact NE2-OE1 3.23Å; Q499-E503 WeakPolarHBondContact O-CB 3.45Å; Q499-E503 WeakPolarHBondContact O-CG 3.39Å; Q499-E503 PolarHBondContact O-N 3.4Å; A500-E503 PolarHBondContact O-N 2.9Å; E503-A506 WeakPolarHBondContact O-CB 3.48Å; E503-A506 PolarHBondContact O-N 3.27Å; E503-A507 WeakPolarHBondContact O-CB 3.42Å; E503-A507 PolarHBondContact O-N 3.03Å |
| 504 | K | 64.3 | Low | 69.8 | Low | 133 Ų | 133 | 62.6 Ų | 62.6 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.8 | -44.4 | 173.1 | -168.4 | 177.5 | -177.5 | 178.4 | 0 | 111.8 | A500 E501 R502 A506 A507 L508 | A500-K504 WeakPolarHBondContact O-CB 3.4Å; A500-K504 PolarHBondContact O-N 2.82Å; E501-K504 WeakPolarHBondContact O-CB 3.24Å; E501-K504 PolarHBondContact O-N 3.06Å; R502-K504 VanDerWaalsContact C-N 3.32Å; K504-A506 VanDerWaalsContact C-N 3.32Å; K504-A506 PolarHBondContact O-N 2.87Å; K504-A507 PolarHBondContact O-N 3.38Å; K504-L508 PolarHBondContact O-N 3.27Å |
| 505 | E | 61.5 | Low | 71.7 | Confident | 136 Ų | 136 | 63.7 Ų | 63.7 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.3 | -36.5 | 173.5 | -71.5 | -176.9 | 169.9 | 0 | 0 | 112.4 | E501 R502 A507 L508 | E501-E505 PolarHBondContact O-N 3.24Å; R502-E505 PolarHBondContact O-N 2.89Å; E505-A507 VanDerWaalsContact C-N 3.33Å; E505-A507 PolarHBondContact O-N 3.42Å; E505-L508 HydrophobicContact CB-CD1 4.39Å; E505-L508 WeakPolarHBondContact O-CB 3.42Å; E505-L508 WeakPolarHBondContact O-CD1 3.45Å; E505-L508 VanDerWaalsContact O-CG 3.27Å; E505-L508 WeakPolarHBondContact O-CG 3.32Å; E505-L508 PolarHBondContact O-N 3.28Å |
| 506 | A | 64.7 | Low | 73.2 | Confident | 13 Ų | 13 | 62 Ų | 62 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.4 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | R449 R502 E503 K504 L508 | R449-A506 VanDerWaalsContact CZ-CB 3.44Å; R502-A506 VanDerWaalsContact O-CB 3.31Å; R502-A506 WeakPolarHBondContact O-CB 3.27Å; R502-A506 PolarHBondContact O-N 3.25Å; E503-A506 WeakPolarHBondContact O-CB 3.48Å; E503-A506 PolarHBondContact O-N 3.27Å; K504-A506 VanDerWaalsContact C-N 3.32Å; K504-A506 PolarHBondContact O-N 2.87Å; A506-L508 VanDerWaalsContact C-N 3.29Å; A506-L508 PolarHBondContact O-N 2.84Å |
| 507 | A | 79.2 | Confident | 74.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76.7 | -11.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E503 K504 E505 C509 L510 E511 L545 | E503-A507 WeakPolarHBondContact O-CB 3.42Å; E503-A507 PolarHBondContact O-N 3.03Å; K504-A507 PolarHBondContact O-N 3.38Å; E505-A507 VanDerWaalsContact C-N 3.33Å; E505-A507 PolarHBondContact O-N 3.42Å; A507-C509 PolarHBondContact O-N 3.29Å; A507-L510 CarbonylContact O-C 3.6Å; A507-L510 WeakPolarHBondContact O-CA 3.4Å; A507-L510 WeakPolarHBondContact O-CB 3.11Å; A507-L510 PolarHBondContact O-N 2.91Å; A507-E511 PolarHBondContact O-N 2.98Å; A507-L545 HydrophobicContact CB-CD1 4.1Å |
| 508 | L | 85.6 | Confident | 76.3 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55 | -38.8 | -178.6 | -69.4 | 172.9 | 0 | 0 | 0 | 112.9 | F451 K504 E505 A506 F512 | F451-L508 HydrophobicContact CD2-CB 4.35Å; K504-L508 PolarHBondContact O-N 3.27Å; E505-L508 HydrophobicContact CB-CD1 4.39Å; E505-L508 WeakPolarHBondContact O-CB 3.42Å; E505-L508 WeakPolarHBondContact O-CD1 3.45Å; E505-L508 VanDerWaalsContact O-CG 3.27Å; E505-L508 WeakPolarHBondContact O-CG 3.32Å; E505-L508 PolarHBondContact O-N 3.28Å; A506-L508 VanDerWaalsContact C-N 3.29Å; A506-L508 PolarHBondContact O-N 2.84Å; L508-F512 VanDerWaalsContact O-CB 3.26Å; L508-F512 WeakPolarHBondContact O-CB 3.44Å; L508-F512 PolarHBondContact O-N 2.8Å |
| 509 | C | 87.6 | Confident | 77.8 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 176 | -70 | 0 | 0 | 0 | 0 | 111.6 | F451 L454 A507 L513 | F451-C509 VanDerWaalsContact CA-SG 3.56Å; F451-C509 PolarHBondContact N-SG 2.76Å; L454-C509 HydrophobicContact CD1-CB 3.96Å; A507-C509 PolarHBondContact O-N 3.29Å; C509-L513 WeakPolarHBondContact O-CB 3.44Å; C509-L513 WeakPolarHBondContact O-CG 3.39Å; C509-L513 PolarHBondContact O-N 3.4Å |
| 510 | L | 89.6 | Confident | 79.1 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.6 | -46 | 179.1 | -178.9 | 140.9 | 0 | 0 | 0 | 111 | L475 A478 A479 A507 F512 L513 L514 C542 L545 L546 | L475-L510 HydrophobicContact CD1-CD1 4.14Å; L475-L510 HydrophobicContact CD1-CG 3.79Å; A478-L510 HydrophobicContact CB-CB 4.07Å; A479-L510 HydrophobicContact CB-CD1 3.86Å; A507-L510 CarbonylContact O-C 3.6Å; A507-L510 WeakPolarHBondContact O-CA 3.4Å; A507-L510 WeakPolarHBondContact O-CB 3.11Å; A507-L510 PolarHBondContact O-N 2.91Å; L510-F512 VanDerWaalsContact C-N 3.35Å; L510-F512 PolarHBondContact O-N 3.22Å; L510-L513 PolarHBondContact O-N 3.43Å; L510-L514 HydrophobicContact CD2-CD1 3.61Å; L510-L514 HydrophobicContact CD2-CG 4.4Å; L510-L514 HydrophobicContact CG-CD1 4.42Å; L510-L514 WeakPolarHBondContact O-CG 3.5Å; L510-L514 PolarHBondContact O-N 3.22Å; L510-C542 HydrophobicContact CD1-CB 3.96Å; L510-C542 HydrophobicContact CD2-CB 4.49Å; L510-L545 HydrophobicContact CD2-CB 3.9Å; L510-L545 HydrophobicContact CD2-CD1 3.92Å; L510-L546 HydrophobicContact CD1-CD1 4.23Å; L510-L546 HydrophobicContact CD1-CD2 4.46Å; L510-L546 HydrophobicContact CD1-CG 4.36Å; L510-L546 HydrophobicContact CD2-CD2 4.48Å; L510-L546 HydrophobicContact CD2-CG 4.32Å |
| 511 | E | 89.9 | Confident | 80.1 | Confident | 64 Ų | 64 | 53.9 Ų | 53.9 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 177.3 | -169.6 | -175.8 | 178 | 0 | 0 | 111.2 | A507 L514 Q515 L545 | A507-E511 PolarHBondContact O-N 2.98Å; E511-L514 PolarHBondContact O-N 2.86Å; E511-Q515 WeakPolarHBondContact O-CG 3.38Å; E511-Q515 PolarHBondContact O-N 3.43Å; E511-Q515 PolarHBondContact OE1-NE2 3.2Å; E511-L545 HydrophobicContact CB-CD1 3.94Å; E511-L545 HydrophobicContact CG-CD1 4.31Å; E511-L545 HydrophobicContact CG-CD2 4.45Å |
| 512 | F | 90.8 | Very high | 81.5 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 16% | 0.158 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 178.9 | 178.2 | -91 | 0 | 0 | 0 | 112.9 | F451 L454 E455 V458 L508 L510 L514 Q515 S516 | F451-F512 HydrophobicContact CD2-CB 4.24Å; F451-F512 HydrophobicContact CD2-CG 4.48Å; F451-F512 HydrophobicContact CE2-CB 3.67Å; F451-F512 HydrophobicContact CE2-CD1 4.48Å; F451-F512 AromaticContact CE2-CD2 3.76Å; F451-F512 HydrophobicContact CE2-CD2 3.76Å; F451-F512 AromaticContact CE2-CG 3.71Å; F451-F512 HydrophobicContact CE2-CG 3.71Å; F451-F512 HydrophobicContact CZ-CD2 4.2Å; L454-F512 HydrophobicContact CD2-CD1 3.28Å; L454-F512 HydrophobicContact CD2-CE1 3.61Å; L454-F512 HydrophobicContact CD2-CG 4.39Å; E455-F512 HydrophobicContact CB-CE1 4.4Å; E455-F512 HydrophobicContact CB-CZ 4.08Å; E455-F512 HydrophobicContact CG-CE2 4.16Å; E455-F512 HydrophobicContact CG-CZ 3.92Å; V458-F512 HydrophobicContact CB-CE1 3.96Å; V458-F512 HydrophobicContact CB-CZ 4.41Å; V458-F512 HydrophobicContact CG1-CE1 4.1Å; V458-F512 HydrophobicContact CG1-CZ 4.35Å; V458-F512 HydrophobicContact CG2-CE1 4Å; L508-F512 VanDerWaalsContact O-CB 3.26Å; L508-F512 WeakPolarHBondContact O-CB 3.44Å; L508-F512 PolarHBondContact O-N 2.8Å; L510-F512 VanDerWaalsContact C-N 3.35Å; L510-F512 PolarHBondContact O-N 3.22Å; F512-L514 VanDerWaalsContact C-N 3.32Å; F512-L514 PolarHBondContact O-N 3.23Å; F512-Q515 PolarHBondContact O-N 3.04Å; F512-S516 WeakPolarHBondContact CE1-OG 3.26Å; F512-S516 VanDerWaalsContact O-CB 3.26Å; F512-S516 WeakPolarHBondContact O-CB 3.44Å; F512-S516 PolarHBondContact O-N 3.22Å; F512-S516 PolarHBondContact O-OG 2.95Å |
| 513 | L | 90.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 174.3 | -74.8 | 170.7 | 0 | 0 | 0 | 110.6 | L442 A446 L454 I464 A474 L475 A478 C509 L510 S516 G517 A518 | L442-L513 HydrophobicContact CD1-CD2 4.45Å; L442-L513 HydrophobicContact CD2-CD2 4.29Å; A446-L513 HydrophobicContact CB-CD1 4.4Å; L454-L513 HydrophobicContact CD1-CD1 4.09Å; L454-L513 HydrophobicContact CD1-CD2 4.24Å; L454-L513 HydrophobicContact CD1-CG 4.08Å; L454-L513 HydrophobicContact CD2-CD2 3.91Å; L454-L513 HydrophobicContact CD2-CG 4.1Å; L454-L513 HydrophobicContact CG-CD2 4.37Å; I464-L513 HydrophobicContact CG2-CD2 3.9Å; A474-L513 HydrophobicContact CB-CD1 4.32Å; L475-L513 HydrophobicContact CD1-CB 4.13Å; L475-L513 HydrophobicContact CD1-CD1 4.41Å; A478-L513 HydrophobicContact CB-CD1 3.96Å; C509-L513 WeakPolarHBondContact O-CB 3.44Å; C509-L513 WeakPolarHBondContact O-CG 3.39Å; C509-L513 PolarHBondContact O-N 3.4Å; L510-L513 PolarHBondContact O-N 3.43Å; L513-S516 PolarHBondContact O-N 3Å; L513-G517 PolarHBondContact O-N 3.43Å; L513-A518 VanDerWaalsContact C-CB 3.47Å; L513-A518 HydrophobicContact CB-CB 3.97Å; L513-A518 WeakPolarHBondContact O-CB 3.24Å; L513-A518 PolarHBondContact O-N 3.26Å |
| 514 | L | 89.6 | Confident | 83.9 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 176.4 | -69.5 | 174 | 0 | 0 | 0 | 111.9 | L475 L510 E511 F512 S516 G517 A520 L545 L546 R549 | L475-L514 HydrophobicContact CD1-CD2 4.07Å; L475-L514 HydrophobicContact CD1-CG 4.07Å; L475-L514 HydrophobicContact CD2-CD2 3.75Å; L510-L514 HydrophobicContact CD2-CD1 3.61Å; L510-L514 HydrophobicContact CD2-CG 4.4Å; L510-L514 HydrophobicContact CG-CD1 4.42Å; L510-L514 WeakPolarHBondContact O-CG 3.5Å; L510-L514 PolarHBondContact O-N 3.22Å; E511-L514 PolarHBondContact O-N 2.86Å; F512-L514 VanDerWaalsContact C-N 3.32Å; F512-L514 PolarHBondContact O-N 3.23Å; L514-S516 PolarHBondContact O-N 3.32Å; L514-G517 PolarHBondContact O-N 2.95Å; L514-A520 HydrophobicContact CD2-CB 4.19Å; L514-L545 HydrophobicContact CD1-CB 4.31Å; L514-L546 HydrophobicContact CD1-CD2 4.21Å; L514-L546 HydrophobicContact CD2-CD2 4.3Å; L514-R549 PolarHBondContact O-NH1 3Å |
| 515 | Q | 89.4 | Confident | 85 | Confident | 114 Ų | 114 | 48.1 Ų | 48.1 | 53% | 0.533 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -31.3 | 176.2 | -72 | 176.5 | 6.9 | 0 | 0 | 112.3 | E511 F512 G517 | E511-Q515 WeakPolarHBondContact O-CG 3.38Å; E511-Q515 PolarHBondContact O-N 3.43Å; E511-Q515 PolarHBondContact OE1-NE2 3.2Å; F512-Q515 PolarHBondContact O-N 3.04Å; Q515-G517 VanDerWaalsContact C-N 3.31Å; Q515-G517 PolarHBondContact O-N 2.83Å |
| 516 | S | 87.7 | Confident | 86.1 | Confident | 42 Ų | 42 | 46.2 Ų | 46.2 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 4.1 | -179.4 | -55.5 | 0 | 0 | 0 | 0 | 113.9 | I464 F512 L513 L514 | I464-S516 WeakPolarHBondContact CD1-O 3.37Å; F512-S516 WeakPolarHBondContact CE1-OG 3.26Å; F512-S516 VanDerWaalsContact O-CB 3.26Å; F512-S516 WeakPolarHBondContact O-CB 3.44Å; F512-S516 PolarHBondContact O-N 3.22Å; F512-S516 PolarHBondContact O-OG 2.95Å; L513-S516 PolarHBondContact O-N 3Å; L514-S516 PolarHBondContact O-N 3.32Å |
| 517 | G | 86.7 | Confident | 87 | Confident | 47 Ų | 47 | 46.3 Ų | 46.3 | 49% | 0.485 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 20.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N465 L513 L514 Q515 | N465-G517 PolarHBondContact ND2-O 3.11Å; L513-G517 PolarHBondContact O-N 3.43Å; L514-G517 PolarHBondContact O-N 2.95Å; Q515-G517 VanDerWaalsContact C-N 3.31Å; Q515-G517 PolarHBondContact O-N 2.83Å |
| 518 | A | 88.2 | Confident | 87.4 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | trans | -67 | 133.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I464 N465 L475 L513 | I464-A518 HydrophobicContact CG2-CB 3.67Å; N465-A518 WeakPolarHBondContact OD1-CA 3.36Å; L475-A518 HydrophobicContact CB-CB 4.5Å; L475-A518 HydrophobicContact CD1-CB 4.48Å; L475-A518 HydrophobicContact CD2-CB 4.17Å; L513-A518 VanDerWaalsContact C-CB 3.47Å; L513-A518 HydrophobicContact CB-CB 3.97Å; L513-A518 WeakPolarHBondContact O-CB 3.24Å; L513-A518 PolarHBondContact O-N 3.26Å | ||
| 519 | T | 86.7 | Confident | 87.7 | Confident | 58 Ų | 58 | 46.1 Ų | 46.1 | 36% | 0.356 | 25% | 0.253 | S | S | . | . | trans | -86 | 117.3 | 179.6 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | N465 S521 V522 | N465-T519 PolarHBondContact OD1-N 3.43Å; N465-T519 PolarHBondContact OD1-OG1 2.8Å; T519-S521 VanDerWaalsContact C-N 3.32Å; T519-S521 PolarHBondContact O-N 3.49Å; T519-V522 WeakPolarHBondContact OG1-CG2 3.24Å | ||
| 520 | A | 84.8 | Confident | 87.8 | Confident | 15 Ų | 15 | 46 Ų | 46 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -18.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L475 L514 P530 L546 | L475-A520 HydrophobicContact CD2-CB 4.35Å; L514-A520 HydrophobicContact CD2-CB 4.19Å; A520-P530 VanDerWaalsContact O-CD 3.31Å; A520-P530 WeakPolarHBondContact O-CD 3.22Å; A520-L546 HydrophobicContact CB-CD2 4.07Å |
| 521 | S | 82.7 | Confident | 87.7 | Confident | 86 Ų | 86 | 46.4 Ų | 46.4 | 60% | 0.601 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.7 | -177.6 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | T519 K523 | T519-S521 VanDerWaalsContact C-N 3.32Å; T519-S521 PolarHBondContact O-N 3.49Å; S521-K523 PolarHBondContact O-N 2.95Å |
| 522 | V | 86.3 | Confident | 87.7 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | trans | -62.1 | 127.8 | 179 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | T467 H476 T519 S529 P530 | T467-V522 HydrophobicContact CG2-CG1 4.12Å; H476-V522 PolarHBondContact CE1-O 3.18Å; H476-V522 PolarHBondContact NE2-O 3.1Å; T519-V522 WeakPolarHBondContact OG1-CG2 3.24Å; V522-S529 WeakPolarHBondContact O-CA 3.47Å; V522-P530 WeakPolarHBondContact O-CD 3.5Å | ||
| 523 | K | 87 | Confident | 87.7 | Confident | 108 Ų | 108 | 44.8 Ų | 44.8 | 47% | 0.47 | 25% | 0.246 | S | C | . | . | trans | -105.8 | 140.5 | 175.3 | -64.3 | 179.5 | -177.6 | 176.6 | 0 | 109.9 | S521 Y528 | S521-K523 PolarHBondContact O-N 2.95Å; K523-Y528 WeakPolarHBondContact CA-O 3.35Å | ||
| 524 | D | 88.8 | Confident | 87.6 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.053 | 25% | 0.246 | C | C | . | . | trans | -72.9 | 178.3 | 168.7 | 74.8 | 10.4 | 0 | 0 | 0 | 111.6 | W470 R472 Q526 G527 Y528 Y533 | W470-D524 WeakPolarHBondContact O-CB 3.37Å; R472-D524 HydrophobicContact CG-CB 3.77Å; D524-Q526 PolarHBondContact O-N 3.29Å; D524-Q526 VanDerWaalsContact O-N 3.15Å; D524-Q526 WeakPolarHBondContact OD1-CA 3.24Å; D524-Q526 WeakPolarHBondContact OD1-CB 3.44Å; D524-Q526 PolarHBondContact OD1-N 3.29Å; D524-G527 PolarHBondContact O-N 3.16Å; D524-G527 PolarHBondContact OD1-N 3.45Å; D524-Y528 PolarHBondContact N-O 3.4Å; D524-Y528 PolarHBondContact OD1-N 2.99Å; D524-Y533 WeakPolarHBondContact OD2-CE2 3.25Å; D524-Y533 PolarHBondContact OD2-OH 3.32Å | ||
| 525 | K | 87.9 | Confident | 87.6 | Confident | 157 Ų | 157 | 44.3 Ų | 44.3 | 68% | 0.683 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.5 | 179.8 | -77 | -177.5 | 177.2 | 174.4 | 0 | 114 | Q469 W470 | Q469-K525 WeakPolarHBondContact O-CE 3.3Å; Q469-K525 PolarHBondContact O-NZ 3.43Å; W470-K525 WeakPolarHBondContact O-CG 3.31Å; W470-K525 PolarHBondContact O-N 3.25Å |
| 526 | Q | 83.4 | Confident | 87.7 | Confident | 96 Ų | 96 | 39.8 Ų | 39.8 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -7 | 176 | -71.5 | 72.2 | 22.7 | 0 | 0 | 111.9 | D524 Y528 | D524-Q526 PolarHBondContact O-N 3.29Å; D524-Q526 VanDerWaalsContact O-N 3.15Å; D524-Q526 WeakPolarHBondContact OD1-CA 3.24Å; D524-Q526 WeakPolarHBondContact OD1-CB 3.44Å; D524-Q526 PolarHBondContact OD1-N 3.29Å; Q526-Y528 HydrophobicContact CB-CD2 3.68Å; Q526-Y528 HydrophobicContact CB-CE2 3.85Å; Q526-Y528 HydrophobicContact CB-CG 4.5Å |
| 527 | G | 85.1 | Confident | 87.7 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 91.4 | 5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | D524 | D524-G527 PolarHBondContact O-N 3.16Å; D524-G527 PolarHBondContact OD1-N 3.45Å |
| 528 | Y | 87.7 | Confident | 87.7 | Confident | 52 Ų | 52 | 39.5 Ų | 39.5 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | trans | -84.2 | 128.4 | -178.7 | -62.9 | -48.3 | 0 | 0 | 0 | 111.6 | H476 K523 D524 Q526 H532 A562 R563 L568 | H476-Y528 PolarHBondContact NE2-O 2.94Å; K523-Y528 WeakPolarHBondContact CA-O 3.35Å; D524-Y528 PolarHBondContact N-O 3.4Å; D524-Y528 PolarHBondContact OD1-N 2.99Å; Q526-Y528 HydrophobicContact CB-CD2 3.68Å; Q526-Y528 HydrophobicContact CB-CE2 3.85Å; Q526-Y528 HydrophobicContact CB-CG 4.5Å; Y528-H532 HydrophobicContact CD1-CB 3.91Å; Y528-H532 AromaticContact CD1-CD2 3.48Å; Y528-H532 VanDerWaalsContact CD1-CD2 3.48Å; Y528-H532 WeakPolarHBondContact CD1-CD2 3.43Å; Y528-H532 AromaticContact CD1-CG 3.73Å; Y528-H532 HydrophobicContact CG-CB 4.22Å; Y528-A562 HydrophobicContact CE1-CB 4.19Å; Y528-R563 WeakPolarHBondContact CE1-O 3.07Å; Y528-L568 HydrophobicContact CE1-CD1 4.31Å | ||
| 529 | S | 90.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | trans | -91 | 169.3 | 171.5 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | V522 V531 H532 Y533 | V522-S529 WeakPolarHBondContact O-CA 3.47Å; S529-V531 PolarHBondContact O-N 3.45Å; S529-V531 VanDerWaalsContact O-N 3.07Å; S529-H532 PolarHBondContact N-ND1 3.28Å; S529-H532 VanDerWaalsContact N-ND1 3.12Å; S529-H532 WeakPolarHBondContact O-CB 3.04Å; S529-H532 PolarHBondContact O-N 2.93Å; S529-H532 PolarHBondContact OG-ND1 3.33Å; S529-Y533 PolarHBondContact O-N 3.11Å | ||
| 530 | P | 89.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -52.7 | -30.4 | 174.6 | -27.5 | 35.8 | 0 | 0 | 0 | 114.2 | L475 H476 A479 A520 V522 H532 Y533 A534 L546 | L475-P530 HydrophobicContact CB-CG 4.37Å; L475-P530 HydrophobicContact CD2-CB 4.39Å; L475-P530 HydrophobicContact CD2-CG 3.94Å; L475-P530 HydrophobicContact CG-CB 4.17Å; L475-P530 HydrophobicContact CG-CG 4Å; H476-P530 WeakPolarHBondContact NE2-CD 3.15Å; A479-P530 HydrophobicContact CB-CB 4.07Å; A479-P530 WeakPolarHBondContact CB-O 3.47Å; A520-P530 VanDerWaalsContact O-CD 3.31Å; A520-P530 WeakPolarHBondContact O-CD 3.22Å; V522-P530 WeakPolarHBondContact O-CD 3.5Å; P530-H532 VanDerWaalsContact C-N 3.32Å; P530-H532 PolarHBondContact O-N 2.93Å; P530-Y533 PolarHBondContact O-N 3.11Å; P530-A534 PolarHBondContact O-N 3.18Å; P530-L546 HydrophobicContact CB-CD1 4.03Å; P530-L546 HydrophobicContact CB-CD2 4.14Å |
| 531 | V | 89.2 | Confident | 87.6 | Confident | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 175 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | S529 Y533 A534 A535 L543 L546 P565 L581 | S529-V531 PolarHBondContact O-N 3.45Å; S529-V531 VanDerWaalsContact O-N 3.07Å; V531-Y533 VanDerWaalsContact C-N 3.35Å; V531-A534 PolarHBondContact O-N 3.33Å; V531-A535 VanDerWaalsContact O-CB 3.27Å; V531-A535 WeakPolarHBondContact O-CB 3.43Å; V531-A535 PolarHBondContact O-N 3Å; V531-L543 HydrophobicContact CG1-CD2 3.85Å; V531-L546 HydrophobicContact CG2-CB 3.82Å; V531-L546 HydrophobicContact CG2-CD1 4.09Å; V531-P565 HydrophobicContact CG1-CB 4.19Å; V531-P565 HydrophobicContact CG1-CG 4Å; V531-L581 HydrophobicContact CG1-CD2 4.12Å |
| 532 | H | 89.3 | Confident | 87.9 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 11% | 0.111 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 177.7 | -64.8 | 80 | 0 | 0 | 0 | 111.4 | Y528 S529 P530 A535 A536 R563 P565 L568 | Y528-H532 HydrophobicContact CD1-CB 3.91Å; Y528-H532 AromaticContact CD1-CD2 3.48Å; Y528-H532 VanDerWaalsContact CD1-CD2 3.48Å; Y528-H532 WeakPolarHBondContact CD1-CD2 3.43Å; Y528-H532 AromaticContact CD1-CG 3.73Å; Y528-H532 HydrophobicContact CG-CB 4.22Å; S529-H532 PolarHBondContact N-ND1 3.28Å; S529-H532 VanDerWaalsContact N-ND1 3.12Å; S529-H532 WeakPolarHBondContact O-CB 3.04Å; S529-H532 PolarHBondContact O-N 2.93Å; S529-H532 PolarHBondContact OG-ND1 3.33Å; P530-H532 VanDerWaalsContact C-N 3.32Å; P530-H532 PolarHBondContact O-N 2.93Å; H532-A535 PolarHBondContact O-N 3Å; H532-A536 WeakPolarHBondContact O-CB 3.45Å; H532-A536 PolarHBondContact O-N 2.91Å; H532-R563 PolarHBondContact CD2-O 3.23Å; H532-R563 VanDerWaalsContact CD2-O 3.32Å; H532-P565 VanDerWaalsContact NE2-CD 3.35Å; H532-P565 WeakPolarHBondContact NE2-CD 3.34Å; H532-L568 HydrophobicContact CB-CD1 3.88Å |
| 533 | Y | 89.8 | Confident | 88 | Confident | 41 Ų | 41 | 36.9 Ų | 36.9 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.2 | -49.3 | 175.2 | -75.8 | -98.3 | 0 | 0 | 0 | 110.6 | R472 H476 A480 D524 S529 P530 V531 A535 A536 F537 | R472-Y533 WeakPolarHBondContact CD-OH 3.47Å; H476-Y533 AromaticContact CD2-CD2 3.7Å; H476-Y533 AromaticContact CD2-CE2 3.61Å; A480-Y533 HydrophobicContact CB-CD1 3.79Å; A480-Y533 HydrophobicContact CB-CG 4.41Å; D524-Y533 WeakPolarHBondContact OD2-CE2 3.25Å; D524-Y533 PolarHBondContact OD2-OH 3.32Å; S529-Y533 PolarHBondContact O-N 3.11Å; P530-Y533 PolarHBondContact O-N 3.11Å; V531-Y533 VanDerWaalsContact C-N 3.35Å; Y533-A535 PolarHBondContact O-N 2.86Å; Y533-A536 PolarHBondContact O-N 2.73Å; Y533-A536 VanDerWaalsContact O-N 3.12Å; Y533-F537 VanDerWaalsContact O-CD2 3.29Å; Y533-F537 WeakPolarHBondContact O-CD2 3.47Å; Y533-F537 PolarHBondContact O-N 3.37Å; Y533-F537 VanDerWaalsContact O-N 3.1Å |
| 534 | A | 90.1 | Very high | 88 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.2 | -36.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A479 P530 V531 G538 H539 C542 L543 L546 | A479-A534 HydrophobicContact CB-CB 4.18Å; A479-A534 WeakPolarHBondContact O-CA 3.18Å; P530-A534 PolarHBondContact O-N 3.18Å; V531-A534 PolarHBondContact O-N 3.33Å; A534-G538 PolarHBondContact O-N 3.33Å; A534-H539 PolarHBondContact O-N 2.82Å; A534-C542 HydrophobicContact CB-CB 4.14Å; A534-L543 HydrophobicContact CB-CD2 3.65Å; A534-L543 HydrophobicContact CB-CG 3.87Å; A534-L546 HydrophobicContact CB-CD1 4.13Å |
| 535 | A | 89.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.1 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V531 H532 Y533 F537 G538 L543 P565 A569 H574 L581 | V531-A535 VanDerWaalsContact O-CB 3.27Å; V531-A535 WeakPolarHBondContact O-CB 3.43Å; V531-A535 PolarHBondContact O-N 3Å; H532-A535 PolarHBondContact O-N 3Å; Y533-A535 PolarHBondContact O-N 2.86Å; A535-F537 VanDerWaalsContact C-N 3.26Å; A535-F537 PolarHBondContact O-N 3.07Å; A535-G538 PolarHBondContact O-N 2.92Å; A535-L543 HydrophobicContact CB-CD2 4.32Å; A535-P565 HydrophobicContact CB-CB 3.82Å; A535-P565 WeakPolarHBondContact CB-O 3.39Å; A535-A569 HydrophobicContact CB-CB 4.25Å; A535-A569 WeakPolarHBondContact O-CA 3.46Å; A535-H574 PolarHBondContact O-CD2 2.89Å; A535-L581 HydrophobicContact CB-CD1 3.91Å |
| 536 | A | 89.8 | Confident | 87.9 | Confident | 19 Ų | 19 | 28 Ų | 28 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.5 | -27.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | H532 Y533 L568 H572 H574 | H532-A536 WeakPolarHBondContact O-CB 3.45Å; H532-A536 PolarHBondContact O-N 2.91Å; Y533-A536 PolarHBondContact O-N 2.73Å; Y533-A536 VanDerWaalsContact O-N 3.12Å; A536-L568 HydrophobicContact CB-CB 4.12Å; A536-L568 HydrophobicContact CB-CD1 4.38Å; A536-H572 PolarHBondContact O-CD2 3.37Å; A536-H574 PolarHBondContact O-CD2 3.17Å; A536-H574 PolarHBondContact O-NE2 3.1Å |
| 537 | F | 87.9 | Confident | 87.8 | Confident | 70 Ų | 70 | 25.7 Ų | 25.7 | 31% | 0.307 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -102.7 | -2.6 | 177.5 | -70.8 | -89.6 | 0 | 0 | 0 | 113.7 | A480 D482 Y533 A535 H539 | A480-F537 HydrophobicContact CB-CD2 3.88Å; A480-F537 HydrophobicContact CB-CE2 3.64Å; A480-F537 HydrophobicContact CB-CZ 4.28Å; D482-F537 HydrophobicContact CB-CD1 4.27Å; Y533-F537 VanDerWaalsContact O-CD2 3.29Å; Y533-F537 WeakPolarHBondContact O-CD2 3.47Å; Y533-F537 PolarHBondContact O-N 3.37Å; Y533-F537 VanDerWaalsContact O-N 3.1Å; A535-F537 VanDerWaalsContact C-N 3.26Å; A535-F537 PolarHBondContact O-N 3.07Å; F537-H539 PolarHBondContact O-CE1 3.49Å; F537-H539 PolarHBondContact O-ND1 3.03Å |
| 538 | G | 87.3 | Confident | 87.3 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 13% | 0.134 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 26.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A534 A535 R540 H574 | A534-G538 PolarHBondContact O-N 3.33Å; A535-G538 PolarHBondContact O-N 2.92Å; G538-R540 PolarHBondContact O-N 3Å; G538-H574 VanDerWaalsContact CA-CD2 3.47Å; G538-H574 WeakPolarHBondContact CA-CD2 3.42Å; G538-H574 PolarHBondContact N-CD2 2.77Å; G538-H574 VanDerWaalsContact N-CD2 3.26Å |
| 539 | H | 86.6 | Confident | 86.4 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 9% | 0.088 | 17% | 0.17 | C | C | . | . | trans | -83.4 | 85.5 | -176.2 | -62.9 | -20.1 | 0 | 0 | 0 | 111.5 | A479 S481 A534 F537 H541 C542 L543 | A479-H539 PolarHBondContact O-CD2 3.2Å; A479-H539 VanDerWaalsContact O-CD2 3.23Å; S481-H539 PolarHBondContact O-NE2 3.47Å; A534-H539 PolarHBondContact O-N 2.82Å; F537-H539 PolarHBondContact O-CE1 3.49Å; F537-H539 PolarHBondContact O-ND1 3.03Å; H539-H541 PolarHBondContact O-N 3.26Å; H539-C542 HydrophobicContact CB-CB 3.81Å; H539-C542 WeakPolarHBondContact O-CB 3.3Å; H539-C542 PolarHBondContact O-N 3.37Å; H539-C542 VanDerWaalsContact O-N 3.17Å; H539-L543 PolarHBondContact O-N 2.99Å | ||
| 540 | R | 86.6 | Confident | 84.8 | Confident | 73 Ų | 73 | 38.6 Ų | 38.6 | 28% | 0.275 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -48.9 | -55 | -177.4 | -174.2 | -166.1 | 168.1 | 111.8 | -2.6 | 112.9 | G538 C542 L543 E544 E579 V580 | G538-R540 PolarHBondContact O-N 3Å; R540-C542 VanDerWaalsContact C-N 3.32Å; R540-C542 PolarHBondContact O-N 2.86Å; R540-L543 WeakPolarHBondContact O-CB 3.38Å; R540-L543 PolarHBondContact O-N 3.5Å; R540-L543 VanDerWaalsContact O-N 3.11Å; R540-E544 IonicContact CZ-OE1 3.15Å; R540-E544 IonicContact NE-OE1 2.77Å; R540-E544 PolarHBondContact NE-OE1 3.37Å; R540-E544 IonicContact NH2-OE1 3.56Å; R540-E544 PolarHBondContact O-N 3.08Å; R540-E579 IonicContact NH1-OE2 2.7Å; R540-E579 PolarHBondContact NH1-OE2 3.42Å; R540-E579 VanDerWaalsContact NH1-OE2 3.08Å; R540-V580 HydrophobicContact CG-CG2 3.53Å |
| 541 | H | 85.4 | Confident | 82.8 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 21% | 0.208 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.9 | -32.5 | -176.1 | -166.1 | 50.8 | 0 | 0 | 0 | 113 | H539 L543 E544 L545 | H539-H541 PolarHBondContact O-N 3.26Å; H541-L543 VanDerWaalsContact C-N 3.31Å; H541-L543 PolarHBondContact O-N 3.16Å; H541-E544 IonicContact CE1-OE2 3.88Å; H541-E544 IonicContact CG-OE2 3.95Å; H541-E544 IonicContact ND1-OE2 2.96Å; H541-E544 PolarHBondContact ND1-OE2 3.27Å; H541-E544 PolarHBondContact O-N 2.85Å; H541-L545 WeakPolarHBondContact O-CG 3.41Å; H541-L545 PolarHBondContact O-N 3.48Å |
| 542 | C | 88.1 | Confident | 80.6 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 172.6 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | L510 A534 H539 R540 L545 L546 | L510-C542 HydrophobicContact CD1-CB 3.96Å; L510-C542 HydrophobicContact CD2-CB 4.49Å; A534-C542 HydrophobicContact CB-CB 4.14Å; H539-C542 HydrophobicContact CB-CB 3.81Å; H539-C542 WeakPolarHBondContact O-CB 3.3Å; H539-C542 PolarHBondContact O-N 3.37Å; H539-C542 VanDerWaalsContact O-N 3.17Å; R540-C542 VanDerWaalsContact C-N 3.32Å; R540-C542 PolarHBondContact O-N 2.86Å; C542-L545 PolarHBondContact O-N 3.41Å; C542-L546 WeakPolarHBondContact O-CB 3.35Å; C542-L546 WeakPolarHBondContact O-CD1 3.45Å; C542-L546 WeakPolarHBondContact O-CG 3.42Å; C542-L546 PolarHBondContact O-N 3.14Å |
| 543 | L | 87.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 174.3 | -69.3 | 167.8 | 0 | 0 | 0 | 111.6 | V531 A534 A535 H539 R540 H541 L545 L546 L547 A577 V580 L581 | V531-L543 HydrophobicContact CG1-CD2 3.85Å; A534-L543 HydrophobicContact CB-CD2 3.65Å; A534-L543 HydrophobicContact CB-CG 3.87Å; A535-L543 HydrophobicContact CB-CD2 4.32Å; H539-L543 PolarHBondContact O-N 2.99Å; R540-L543 WeakPolarHBondContact O-CB 3.38Å; R540-L543 PolarHBondContact O-N 3.5Å; R540-L543 VanDerWaalsContact O-N 3.11Å; H541-L543 VanDerWaalsContact C-N 3.31Å; H541-L543 PolarHBondContact O-N 3.16Å; L543-L545 VanDerWaalsContact C-N 3.31Å; L543-L545 PolarHBondContact O-N 3.14Å; L543-L546 PolarHBondContact O-N 3.39Å; L543-L547 WeakPolarHBondContact O-CB 3.49Å; L543-L547 VanDerWaalsContact O-CG 3.23Å; L543-L547 WeakPolarHBondContact O-CG 3.41Å; L543-L547 PolarHBondContact O-N 3.09Å; L543-A577 HydrophobicContact CD1-CB 3.56Å; L543-V580 HydrophobicContact CB-CG1 3.96Å; L543-L581 HydrophobicContact CD1-CD1 4.48Å; L543-L581 HydrophobicContact CD1-CG 4.27Å; L543-L581 HydrophobicContact CD2-CD2 4.08Å |
| 544 | E | 87.8 | Confident | 75.9 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -55.7 | -46 | 175.7 | -67.6 | 168.7 | 177.6 | 0 | 0 | 111.2 | R540 H541 N548 V580 | R540-E544 IonicContact CZ-OE1 3.15Å; R540-E544 IonicContact NE-OE1 2.77Å; R540-E544 PolarHBondContact NE-OE1 3.37Å; R540-E544 IonicContact NH2-OE1 3.56Å; R540-E544 PolarHBondContact O-N 3.08Å; H541-E544 IonicContact CE1-OE2 3.88Å; H541-E544 IonicContact CG-OE2 3.95Å; H541-E544 IonicContact ND1-OE2 2.96Å; H541-E544 PolarHBondContact ND1-OE2 3.27Å; H541-E544 PolarHBondContact O-N 2.85Å; E544-N548 VanDerWaalsContact O-CB 3.3Å; E544-N548 WeakPolarHBondContact O-CB 3.33Å; E544-N548 PolarHBondContact O-N 2.93Å; E544-N548 VanDerWaalsContact O-N 3.11Å; E544-N548 PolarHBondContact O-ND2 3.39Å; E544-V580 HydrophobicContact CG-CG1 3.82Å; E544-V580 HydrophobicContact CG-CG2 4.06Å |
| 545 | L | 86.8 | Confident | 73.7 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 179 | -70.5 | 173.4 | 0 | 0 | 0 | 113.4 | A507 L510 E511 L514 H541 C542 L543 | A507-L545 HydrophobicContact CB-CD1 4.1Å; L510-L545 HydrophobicContact CD2-CB 3.9Å; L510-L545 HydrophobicContact CD2-CD1 3.92Å; E511-L545 HydrophobicContact CB-CD1 3.94Å; E511-L545 HydrophobicContact CG-CD1 4.31Å; E511-L545 HydrophobicContact CG-CD2 4.45Å; L514-L545 HydrophobicContact CD1-CB 4.31Å; H541-L545 WeakPolarHBondContact O-CG 3.41Å; H541-L545 PolarHBondContact O-N 3.48Å; C542-L545 PolarHBondContact O-N 3.41Å; L543-L545 VanDerWaalsContact C-N 3.31Å; L543-L545 PolarHBondContact O-N 3.14Å |
| 546 | L | 86.9 | Confident | 71.4 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.9 | -41.3 | 179.9 | -71.3 | 168.3 | 0 | 0 | 0 | 111.7 | L475 L510 L514 A520 P530 V531 A534 C542 L543 D550 | L475-L546 HydrophobicContact CD2-CD2 4.24Å; L510-L546 HydrophobicContact CD1-CD1 4.23Å; L510-L546 HydrophobicContact CD1-CD2 4.46Å; L510-L546 HydrophobicContact CD1-CG 4.36Å; L510-L546 HydrophobicContact CD2-CD2 4.48Å; L510-L546 HydrophobicContact CD2-CG 4.32Å; L514-L546 HydrophobicContact CD1-CD2 4.21Å; L514-L546 HydrophobicContact CD2-CD2 4.3Å; A520-L546 HydrophobicContact CB-CD2 4.07Å; P530-L546 HydrophobicContact CB-CD1 4.03Å; P530-L546 HydrophobicContact CB-CD2 4.14Å; V531-L546 HydrophobicContact CG2-CB 3.82Å; V531-L546 HydrophobicContact CG2-CD1 4.09Å; A534-L546 HydrophobicContact CB-CD1 4.13Å; C542-L546 WeakPolarHBondContact O-CB 3.35Å; C542-L546 WeakPolarHBondContact O-CD1 3.45Å; C542-L546 WeakPolarHBondContact O-CG 3.42Å; C542-L546 PolarHBondContact O-N 3.14Å; L543-L546 PolarHBondContact O-N 3.39Å; L546-D550 PolarHBondContact O-N 3.36Å |
| 547 | L | 82.8 | Confident | 69.2 | Low | 48 Ų | 48 | 78.2 Ų | 78.2 | 25% | 0.251 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.7 | -34.3 | -179.4 | -66.7 | 170.6 | 0 | 0 | 0 | 112.5 | L543 R549 D550 V580 L581 | L543-L547 WeakPolarHBondContact O-CB 3.49Å; L543-L547 VanDerWaalsContact O-CG 3.23Å; L543-L547 WeakPolarHBondContact O-CG 3.41Å; L543-L547 PolarHBondContact O-N 3.09Å; L547-R549 PolarHBondContact O-N 3.15Å; L547-D550 PolarHBondContact O-N 3.1Å; L547-V580 HydrophobicContact CD1-CG1 3.92Å; L547-L581 HydrophobicContact CD1-CD2 4.4Å |
| 548 | N | 74.7 | Confident | 67.5 | Low | 138 Ų | 138 | 81.9 Ų | 81.9 | 74% | 0.738 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15 | 178.5 | -76.7 | -27.4 | 0 | 0 | 0 | 114.5 | E544 | E544-N548 VanDerWaalsContact O-CB 3.3Å; E544-N548 WeakPolarHBondContact O-CB 3.33Å; E544-N548 PolarHBondContact O-N 2.93Å; E544-N548 VanDerWaalsContact O-N 3.11Å; E544-N548 PolarHBondContact O-ND2 3.39Å |
| 549 | R | 67.5 | Low | 65.8 | Low | 133 Ų | 133 | 83.6 Ų | 83.6 | 50% | 0.502 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 4.6 | -178.1 | -75.3 | -165.9 | 169.5 | -163.7 | 0.3 | 113.6 | L514 L547 D551 | L514-R549 PolarHBondContact O-NH1 3Å; L547-R549 PolarHBondContact O-N 3.15Å; R549-D551 PolarHBondContact O-N 3.32Å |
| 550 | D | 57.6 | Low | 64.1 | Low | 84 Ų | 84 | 87.7 Ų | 87.7 | 45% | 0.449 | 47% | 0.467 | S | S | . | . | trans | -72.4 | 98.8 | 174.7 | -140.8 | 11.1 | 0 | 0 | 0 | 107.6 | L546 L547 G552 | L546-D550 PolarHBondContact O-N 3.36Å; L547-D550 PolarHBondContact O-N 3.1Å; D550-G552 PolarHBondContact O-N 3.49Å | ||
| 551 | D | 46.4 | Very low | 62.6 | Low | 171 Ų | 171 | 90.2 Ų | 90.2 | 91% | 0.914 | 48% | 0.482 | S | S | * | . | trans | -69.4 | 74.7 | 172.1 | -83.1 | -35.5 | 0 | 0 | 0 | 109.1 | R549 | R549-D551 PolarHBondContact O-N 3.32Š| ||
| 552 | G | 43.3 | Very low | 61.6 | Low | 43 Ų | 43 | 89.2 Ų | 89.2 | 44% | 0.443 | 48% | 0.481 | S | S | . | . | trans | 72.7 | 152.8 | 167 | 0 | 0 | 0 | 0 | 0 | 116.7 | D550 Q554 | D550-G552 PolarHBondContact O-N 3.49Å; G552-Q554 PolarHBondContact O-N 3.16Å | ||
| 553 | P | 40.1 | Very low | 61.2 | Low | 118 Ų | 118 | 92.4 Ų | 92.4 | 77% | 0.766 | 49% | 0.492 | S | S | * | . | trans | -72.3 | 100.4 | 171.5 | 29.9 | -31.2 | 0 | 0 | 0 | 109.1 | E555 | P553-E555 VanDerWaalsContact C-N 3.27Å; P553-E555 HydrophobicContact CB-CG 4.28Å; P553-E555 PolarHBondContact O-N 3.1Å | ||
| 554 | Q | 41.8 | Very low | 61.2 | Low | 180 Ų | 180 | 92.8 Ų | 92.8 | 84% | 0.841 | 50% | 0.495 | S | S | * | . | trans | -81.5 | 89.5 | 147.5 | -111.9 | -175 | -38.7 | 0 | 0 | 106.5 | G552 D556 | G552-Q554 PolarHBondContact O-N 3.16Å; Q554-D556 PolarHBondContact O-N 3.42Å | ||
| 555 | E | 42.3 | Very low | 61.3 | Low | 176 Ų | 176 | 90.3 Ų | 90.3 | 82% | 0.822 | 48% | 0.484 | S | S | * | . | trans | -61.4 | 80 | 165.8 | -67.2 | -175.9 | 165.7 | 0 | 0 | 109.1 | P553 | P553-E555 VanDerWaalsContact C-N 3.27Å; P553-E555 HydrophobicContact CB-CG 4.28Å; P553-E555 PolarHBondContact O-N 3.1Å | ||
| 556 | D | 41.8 | Very low | 61.4 | Low | 117 Ų | 117 | 88.8 Ų | 88.8 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | trans | -70.7 | 128.6 | 149 | -87.3 | -29.2 | 0 | 0 | 0 | 106.5 | Q554 E558 | Q554-D556 PolarHBondContact O-N 3.42Å; D556-E558 PolarHBondContact O-N 2.84Å; D556-E558 VanDerWaalsContact O-N 3.11Å | ||
| 557 | P | 44.4 | Very low | 61.6 | Low | 119 Ų | 119 | 88.9 Ų | 88.9 | 77% | 0.773 | 48% | 0.476 | S | S | * | . | trans | -51.7 | 124.8 | -173 | 21.7 | -32.4 | 0 | 0 | 0 | 108.4 | S559 | P557-S559 PolarHBondContact O-N 2.69Š| ||
| 558 | E | 50.9 | Low | 61.9 | Low | 147 Ų | 147 | 87.5 Ų | 87.5 | 69% | 0.687 | 47% | 0.469 | S | S | * | . | trans | -42.1 | 133.3 | 179.9 | -65.2 | -177.6 | 141.4 | 0 | 0 | 109.4 | D556 P560 | D556-E558 PolarHBondContact O-N 2.84Å; D556-E558 VanDerWaalsContact O-N 3.11Å; E558-P560 WeakPolarHBondContact O-CD 3.2Å | ||
| 559 | S | 53 | Low | 62.8 | Low | 50 Ų | 50 | 81 Ų | 81 | 35% | 0.35 | 43% | 0.434 | S | S | . | . | trans | -48.9 | 122.9 | 162.5 | 169.3 | 0 | 0 | 0 | 0 | 105.7 | P557 H561 A562 | P557-S559 PolarHBondContact O-N 2.69Å; S559-H561 PolarHBondContact O-N 3.04Å; S559-A562 PolarHBondContact O-N 2.99Å; S559-A562 VanDerWaalsContact O-N 3.13Å | ||
| 560 | P | 51.1 | Low | 64 | Low | 105 Ų | 105 | 74.6 Ų | 74.6 | 68% | 0.682 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 0.7 | -171.1 | 21.9 | -32.3 | 0 | 0 | 0 | 113.8 | E558 | E558-P560 WeakPolarHBondContact O-CD 3.2Š|
| 561 | H | 53.8 | Low | 65.6 | Low | 126 Ų | 126 | 73.7 Ų | 73.7 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | -4.1 | -174.1 | -55.4 | -53.2 | 0 | 0 | 0 | 115.2 | S559 E593 | S559-H561 PolarHBondContact O-N 3.04Å; H561-E593 VanDerWaalsContact CA-OE1 3.31Å; H561-E593 WeakPolarHBondContact CA-OE1 3.29Å; H561-E593 IonicContact CE1-OE1 3.4Å; H561-E593 IonicContact CG-OE1 3.29Å; H561-E593 IonicContact ND1-OE1 3.61Å; H561-E593 PolarHBondContact ND1-OE1 3.32Å |
| 562 | A | 64.3 | Low | 67.7 | Low | 24 Ų | 24 | 69.3 Ų | 69.3 | 20% | 0.198 | 37% | 0.374 | C | S | . | . | trans | -97.7 | 115.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y528 S559 | Y528-A562 HydrophobicContact CE1-CB 4.19Å; S559-A562 PolarHBondContact O-N 2.99Å; S559-A562 VanDerWaalsContact O-N 3.13Å | ||
| 563 | R | 80.8 | Confident | 70.1 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 28% | 0.275 | 37% | 0.366 | S | S | . | . | trans | -58.9 | 137 | 171.6 | -69.9 | -175.9 | 177.5 | 170.8 | 1.4 | 112.1 | Y528 H532 H567 D592 R596 | Y528-R563 WeakPolarHBondContact CE1-O 3.07Å; H532-R563 PolarHBondContact CD2-O 3.23Å; H532-R563 VanDerWaalsContact CD2-O 3.32Å; R563-H567 HydrophobicContact CB-CB 4.17Å; R563-D592 HydrophobicContact CG-CB 4.34Å; R563-D592 IonicContact NE-OD2 2.75Å; R563-R596 VanDerWaalsContact NH2-NH2 3.2Å | ||
| 564 | S | 87.7 | Confident | 72.5 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | trans | -67.6 | 158.5 | 176.8 | 86.9 | 0 | 0 | 0 | 0 | 112.8 | L566 H567 L568 Q590 | S564-L566 PolarHBondContact O-N 3.38Å; S564-H567 PolarHBondContact N-ND1 2.7Å; S564-H567 WeakPolarHBondContact O-CB 3.3Å; S564-H567 PolarHBondContact O-N 2.99Å; S564-H567 PolarHBondContact OG-ND1 3.43Å; S564-L568 PolarHBondContact O-N 2.75Å; S564-Q590 VanDerWaalsContact CB-OE1 3.28Å; S564-Q590 PolarHBondContact OG-OE1 2.79Å | ||
| 565 | P | 88.6 | Confident | 74.8 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.4 | -32.1 | 177.4 | -25.9 | 34.4 | 0 | 0 | 0 | 113.8 | V531 H532 A535 L568 A569 L581 R586 | V531-P565 HydrophobicContact CG1-CB 4.19Å; V531-P565 HydrophobicContact CG1-CG 4Å; H532-P565 VanDerWaalsContact NE2-CD 3.35Å; H532-P565 WeakPolarHBondContact NE2-CD 3.34Å; A535-P565 HydrophobicContact CB-CB 3.82Å; A535-P565 WeakPolarHBondContact CB-O 3.39Å; P565-L568 PolarHBondContact O-N 3.42Å; P565-A569 PolarHBondContact O-N 3.41Å; P565-L581 HydrophobicContact CB-CD1 4.09Å; P565-L581 HydrophobicContact CB-CD2 4.06Å; P565-R586 VanDerWaalsContact CD-NH1 3.31Å; P565-R586 VanDerWaalsContact CG-NH1 3.33Å |
| 566 | L | 89.6 | Confident | 77 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 175.9 | -72.9 | 170.9 | 0 | 0 | 0 | 111.2 | S564 L568 A569 A570 L578 L581 L582 R586 P598 | S564-L566 PolarHBondContact O-N 3.38Å; L566-L568 VanDerWaalsContact C-N 3.32Å; L566-L568 PolarHBondContact O-N 2.94Å; L566-A569 PolarHBondContact O-N 2.9Å; L566-A570 VanDerWaalsContact O-CB 3.23Å; L566-A570 WeakPolarHBondContact O-CB 3.05Å; L566-A570 PolarHBondContact O-N 3.1Å; L566-L578 HydrophobicContact CD2-CD2 3.78Å; L566-L581 HydrophobicContact CD2-CB 3.65Å; L566-L581 HydrophobicContact CD2-CD1 4.24Å; L566-L581 HydrophobicContact CG-CB 4.48Å; L566-L582 HydrophobicContact CD1-CD2 4.16Å; L566-L582 HydrophobicContact CD2-CD2 3.73Å; L566-L582 HydrophobicContact CD2-CG 3.87Å; L566-R586 HydrophobicContact CD1-CB 4.14Å; L566-P598 HydrophobicContact CB-CB 4.37Å; L566-P598 HydrophobicContact CB-CG 3.81Å |
| 567 | H | 90.4 | Very high | 79.2 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 176.5 | -66 | 97.7 | 0 | 0 | 0 | 112.1 | R563 S564 Y571 Q590 D592 R596 L601 | R563-H567 HydrophobicContact CB-CB 4.17Å; S564-H567 PolarHBondContact N-ND1 2.7Å; S564-H567 WeakPolarHBondContact O-CB 3.3Å; S564-H567 PolarHBondContact O-N 2.99Å; S564-H567 PolarHBondContact OG-ND1 3.43Å; H567-Y571 WeakPolarHBondContact O-CB 3.29Å; H567-Y571 PolarHBondContact O-N 3.04Å; H567-Q590 PolarHBondContact CE1-O 3.24Å; H567-Q590 PolarHBondContact NE2-O 2.8Å; H567-Q590 VanDerWaalsContact NE2-O 3.13Å; H567-D592 PolarHBondContact NE2-N 3.49Å; H567-R596 PolarHBondContact NE2-O 2.97Å; H567-R596 VanDerWaalsContact NE2-O 3.08Å; H567-L601 HydrophobicContact CB-CD1 3.77Å |
| 568 | L | 90.7 | Very high | 81.4 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.1 | -45.1 | -179.8 | -65.1 | 174.9 | 0 | 0 | 0 | 111.9 | Y528 H532 A536 S564 P565 L566 Y571 H572 | Y528-L568 HydrophobicContact CE1-CD1 4.31Å; H532-L568 HydrophobicContact CB-CD1 3.88Å; A536-L568 HydrophobicContact CB-CB 4.12Å; A536-L568 HydrophobicContact CB-CD1 4.38Å; S564-L568 PolarHBondContact O-N 2.75Å; P565-L568 PolarHBondContact O-N 3.42Å; L566-L568 VanDerWaalsContact C-N 3.32Å; L566-L568 PolarHBondContact O-N 2.94Å; L568-Y571 PolarHBondContact O-N 3.2Å; L568-H572 PolarHBondContact O-CD2 2.89Å; L568-H572 PolarHBondContact O-N 3.14Å; L568-H572 VanDerWaalsContact O-N 3.1Å |
| 569 | A | 92.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A535 P565 L566 G573 H574 A577 L578 L581 | A535-A569 HydrophobicContact CB-CB 4.25Å; A535-A569 WeakPolarHBondContact O-CA 3.46Å; P565-A569 PolarHBondContact O-N 3.41Å; L566-A569 PolarHBondContact O-N 2.9Å; A569-G573 PolarHBondContact O-N 3.4Å; A569-H574 PolarHBondContact O-N 2.9Å; A569-A577 HydrophobicContact CB-CB 4.34Å; A569-L578 HydrophobicContact CB-CD2 3.68Å; A569-L578 HydrophobicContact CB-CG 3.9Å; A569-L581 HydrophobicContact CB-CD1 4.09Å |
| 570 | A | 92.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L566 H572 G573 L578 P598 A602 H607 L614 | L566-A570 VanDerWaalsContact O-CB 3.23Å; L566-A570 WeakPolarHBondContact O-CB 3.05Å; L566-A570 PolarHBondContact O-N 3.1Å; A570-H572 VanDerWaalsContact C-N 3.34Å; A570-H572 PolarHBondContact O-N 3.21Å; A570-G573 PolarHBondContact O-N 3.05Å; A570-L578 HydrophobicContact CB-CD1 4.25Å; A570-L578 HydrophobicContact CB-CD2 4.31Å; A570-P598 HydrophobicContact CB-CB 3.83Å; A570-P598 VanDerWaalsContact CB-O 3.29Å; A570-P598 WeakPolarHBondContact CB-O 3.41Å; A570-A602 HydrophobicContact CB-CB 4.2Å; A570-H607 PolarHBondContact O-CD2 3.07Å; A570-L614 HydrophobicContact CB-CD1 4.23Å |
| 571 | Y | 92.1 | Very high | 86.6 | Confident | 65 Ų | 65 | 31.8 Ų | 31.8 | 26% | 0.255 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.1 | -31.8 | 178.7 | -176.3 | -93.7 | 0 | 0 | 0 | 113.4 | H567 L568 L601 R605 H607 | H567-Y571 WeakPolarHBondContact O-CB 3.29Å; H567-Y571 PolarHBondContact O-N 3.04Å; L568-Y571 PolarHBondContact O-N 3.2Å; Y571-L601 HydrophobicContact CD2-CB 4.43Å; Y571-L601 HydrophobicContact CD2-CD2 4.28Å; Y571-R605 HydrophobicContact CD2-CG 3.91Å; Y571-R605 HydrophobicContact CE2-CG 3.97Å; Y571-R605 HydrophobicContact CG-CG 4.46Å; Y571-R605 PolarHBondContact OH-NH1 2.94Å; Y571-H607 PolarHBondContact O-NE2 2.95Å |
| 572 | H | 90.9 | Very high | 88.1 | Confident | 79 Ų | 79 | 26.7 Ų | 26.7 | 37% | 0.366 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -94.5 | -6.2 | 179.1 | -73.2 | -63.2 | 0 | 0 | 0 | 114.4 | A536 L568 A570 | A536-H572 PolarHBondContact O-CD2 3.37Å; L568-H572 PolarHBondContact O-CD2 2.89Å; L568-H572 PolarHBondContact O-N 3.14Å; L568-H572 VanDerWaalsContact O-N 3.1Å; A570-H572 VanDerWaalsContact C-N 3.34Å; A570-H572 PolarHBondContact O-N 3.21Å |
| 573 | G | 92.3 | Very high | 88.9 | Confident | 25 Ų | 25 | 32.3 Ų | 32.3 | 26% | 0.258 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 33.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A569 A570 A575 H607 C610 | A569-G573 PolarHBondContact O-N 3.4Å; A570-G573 PolarHBondContact O-N 3.05Å; G573-A575 PolarHBondContact O-N 3.26Å; G573-H607 WeakPolarHBondContact CA-CD2 3.45Å; G573-H607 PolarHBondContact N-CD2 3.21Å; G573-H607 VanDerWaalsContact N-CD2 3.31Å; G573-H607 PolarHBondContact N-NE2 2.97Å; G573-C610 VanDerWaalsContact CA-SG 3.51Å |
| 574 | H | 91.6 | Very high | 88.2 | Confident | 51 Ų | 51 | 31.1 Ų | 31.1 | 24% | 0.236 | 17% | 0.166 | C | C | . | . | trans | -99.9 | 80.3 | -177.1 | -61.1 | -50.5 | 0 | 0 | 0 | 112 | A535 A536 G538 A569 Q576 A577 L578 C610 | A535-H574 PolarHBondContact O-CD2 2.89Å; A536-H574 PolarHBondContact O-CD2 3.17Å; A536-H574 PolarHBondContact O-NE2 3.1Å; G538-H574 VanDerWaalsContact CA-CD2 3.47Å; G538-H574 WeakPolarHBondContact CA-CD2 3.42Å; G538-H574 PolarHBondContact N-CD2 2.77Å; G538-H574 VanDerWaalsContact N-CD2 3.26Å; A569-H574 PolarHBondContact O-N 2.9Å; H574-Q576 PolarHBondContact O-N 3.32Å; H574-A577 HydrophobicContact CB-CB 3.83Å; H574-A577 WeakPolarHBondContact O-CB 3.49Å; H574-A577 PolarHBondContact O-N 3.37Å; H574-L578 PolarHBondContact O-N 3.34Å; H574-L578 VanDerWaalsContact O-N 3.08Å; H574-C610 PolarHBondContact N-SG 3.48Å | ||
| 575 | A | 90.4 | Very high | 86.6 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -42.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | G573 A577 L578 E579 D609 C610 | G573-A575 PolarHBondContact O-N 3.26Å; A575-A577 VanDerWaalsContact C-N 3.26Å; A575-A577 PolarHBondContact O-N 3.3Å; A575-L578 WeakPolarHBondContact O-CB 3.47Å; A575-L578 PolarHBondContact O-N 2.84Å; A575-L578 VanDerWaalsContact O-N 3.11Å; A575-E579 PolarHBondContact O-N 3.08Å; A575-D609 HydrophobicContact CB-CB 3.8Å; A575-C610 PolarHBondContact N-SG 3.36Å; A575-C610 VanDerWaalsContact N-SG 3.36Å |
| 576 | Q | 87.7 | Confident | 85.6 | Confident | 100 Ų | 100 | 43.8 Ų | 43.8 | 47% | 0.467 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.4 | -29.4 | 178.6 | -57.8 | 87 | -2.7 | 0 | 0 | 112.6 | H574 V580 | H574-Q576 PolarHBondContact O-N 3.32Å; Q576-V580 PolarHBondContact O-N 3.06Å |
| 577 | A | 88.6 | Confident | 85.1 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.7 | -38 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L543 A569 H574 A575 V580 L581 | L543-A577 HydrophobicContact CD1-CB 3.56Å; A569-A577 HydrophobicContact CB-CB 4.34Å; H574-A577 HydrophobicContact CB-CB 3.83Å; H574-A577 WeakPolarHBondContact O-CB 3.49Å; H574-A577 PolarHBondContact O-N 3.37Å; A575-A577 VanDerWaalsContact C-N 3.26Å; A575-A577 PolarHBondContact O-N 3.3Å; A577-V580 PolarHBondContact O-N 2.64Å; A577-L581 VanDerWaalsContact O-CG 3.28Å; A577-L581 WeakPolarHBondContact O-CG 3.31Å; A577-L581 PolarHBondContact O-N 2.7Å |
| 578 | L | 89.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 173.1 | -71.5 | 172 | 0 | 0 | 0 | 111.7 | L566 A569 A570 H574 A575 V580 L581 L582 C610 T613 L614 | L566-L578 HydrophobicContact CD2-CD2 3.78Å; A569-L578 HydrophobicContact CB-CD2 3.68Å; A569-L578 HydrophobicContact CB-CG 3.9Å; A570-L578 HydrophobicContact CB-CD1 4.25Å; A570-L578 HydrophobicContact CB-CD2 4.31Å; H574-L578 PolarHBondContact O-N 3.34Å; H574-L578 VanDerWaalsContact O-N 3.08Å; A575-L578 WeakPolarHBondContact O-CB 3.47Å; A575-L578 PolarHBondContact O-N 2.84Å; A575-L578 VanDerWaalsContact O-N 3.11Å; L578-V580 VanDerWaalsContact C-N 3.31Å; L578-V580 PolarHBondContact O-N 3.05Å; L578-L581 PolarHBondContact O-N 3.19Å; L578-L582 HydrophobicContact CB-CD1 4.34Å; L578-L582 WeakPolarHBondContact O-CB 3.3Å; L578-L582 WeakPolarHBondContact O-CD1 3.28Å; L578-L582 WeakPolarHBondContact O-CG 2.95Å; L578-L582 PolarHBondContact O-N 2.92Å; L578-C610 HydrophobicContact CD1-CB 3.69Å; L578-T613 HydrophobicContact CB-CG2 4.31Å; L578-L614 HydrophobicContact CD1-CD1 4.15Å; L578-L614 HydrophobicContact CD1-CD2 4.46Å; L578-L614 HydrophobicContact CD1-CG 4.12Å; L578-L614 HydrophobicContact CD2-CD2 4.46Å |
| 579 | E | 89 | Confident | 84.4 | Confident | 76 Ų | 76 | 54 Ų | 54 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54 | -47.1 | 176.9 | -70.3 | 175.2 | -178.3 | 0 | 0 | 112.4 | R540 A575 L582 Q583 T613 | R540-E579 IonicContact NH1-OE2 2.7Å; R540-E579 PolarHBondContact NH1-OE2 3.42Å; R540-E579 VanDerWaalsContact NH1-OE2 3.08Å; A575-E579 PolarHBondContact O-N 3.08Å; E579-L582 PolarHBondContact O-N 3.37Å; E579-Q583 VanDerWaalsContact O-CG 3.31Å; E579-Q583 WeakPolarHBondContact O-CG 3.27Å; E579-Q583 PolarHBondContact O-N 3.24Å; E579-T613 HydrophobicContact CG-CG2 3.81Å |
| 580 | V | 88.1 | Confident | 84.1 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 179.4 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | R540 L543 E544 L547 Q576 A577 L578 L582 Q583 | R540-V580 HydrophobicContact CG-CG2 3.53Å; L543-V580 HydrophobicContact CB-CG1 3.96Å; E544-V580 HydrophobicContact CG-CG1 3.82Å; E544-V580 HydrophobicContact CG-CG2 4.06Å; L547-V580 HydrophobicContact CD1-CG1 3.92Å; Q576-V580 PolarHBondContact O-N 3.06Å; A577-V580 PolarHBondContact O-N 2.64Å; L578-V580 VanDerWaalsContact C-N 3.31Å; L578-V580 PolarHBondContact O-N 3.05Å; V580-L582 VanDerWaalsContact C-N 3.32Å; V580-L582 PolarHBondContact O-N 3.41Å; V580-Q583 PolarHBondContact O-N 2.98Å |
| 581 | L | 87.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.7 | -34.1 | 178.5 | -72.7 | 169 | 0 | 0 | 0 | 112.7 | V531 A535 L543 L547 P565 L566 A569 A577 L578 | V531-L581 HydrophobicContact CG1-CD2 4.12Å; A535-L581 HydrophobicContact CB-CD1 3.91Å; L543-L581 HydrophobicContact CD1-CD1 4.48Å; L543-L581 HydrophobicContact CD1-CG 4.27Å; L543-L581 HydrophobicContact CD2-CD2 4.08Å; L547-L581 HydrophobicContact CD1-CD2 4.4Å; P565-L581 HydrophobicContact CB-CD1 4.09Å; P565-L581 HydrophobicContact CB-CD2 4.06Å; L566-L581 HydrophobicContact CD2-CB 3.65Å; L566-L581 HydrophobicContact CD2-CD1 4.24Å; L566-L581 HydrophobicContact CG-CB 4.48Å; A569-L581 HydrophobicContact CB-CD1 4.09Å; A577-L581 VanDerWaalsContact O-CG 3.28Å; A577-L581 WeakPolarHBondContact O-CG 3.31Å; A577-L581 PolarHBondContact O-N 2.7Å; L578-L581 PolarHBondContact O-N 3.19Å |
| 582 | L | 85.6 | Confident | 83.4 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.8 | -21.7 | -178.6 | -68 | 166.6 | 0 | 0 | 0 | 112.8 | L566 L578 E579 V580 G584 V588 T613 L614 Q617 | L566-L582 HydrophobicContact CD1-CD2 4.16Å; L566-L582 HydrophobicContact CD2-CD2 3.73Å; L566-L582 HydrophobicContact CD2-CG 3.87Å; L578-L582 HydrophobicContact CB-CD1 4.34Å; L578-L582 WeakPolarHBondContact O-CB 3.3Å; L578-L582 WeakPolarHBondContact O-CD1 3.28Å; L578-L582 WeakPolarHBondContact O-CG 2.95Å; L578-L582 PolarHBondContact O-N 2.92Å; E579-L582 PolarHBondContact O-N 3.37Å; V580-L582 VanDerWaalsContact C-N 3.32Å; V580-L582 PolarHBondContact O-N 3.41Å; L582-G584 PolarHBondContact O-N 3.31Å; L582-V588 HydrophobicContact CD2-CB 4.39Å; L582-V588 HydrophobicContact CD2-CG1 4.15Å; L582-V588 HydrophobicContact CD2-CG2 3.9Å; L582-T613 HydrophobicContact CD1-CG2 4.39Å; L582-L614 HydrophobicContact CD1-CD2 4.06Å; L582-Q617 HydrophobicContact CB-CG 4.48Å; L582-Q617 HydrophobicContact CD1-CB 4.13Å; L582-Q617 HydrophobicContact CD1-CG 3.88Å |
| 583 | Q | 81.7 | Confident | 82.9 | Confident | 142 Ų | 142 | 60 Ų | 60 | 66% | 0.664 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.5 | 171.7 | -75.7 | 169.4 | 14.2 | 0 | 0 | 113.3 | E579 V580 E585 | E579-Q583 VanDerWaalsContact O-CG 3.31Å; E579-Q583 WeakPolarHBondContact O-CG 3.27Å; E579-Q583 PolarHBondContact O-N 3.24Å; V580-Q583 PolarHBondContact O-N 2.98Å; Q583-E585 PolarHBondContact O-N 2.93Å |
| 584 | G | 64.9 | Low | 82.4 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 36.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | L582 R586 | L582-G584 PolarHBondContact O-N 3.31Å; G584-R586 PolarHBondContact O-N 2.97Å |
| 585 | E | 55.7 | Low | 82.1 | Confident | 200 Ų | 200 | 57.5 Ų | 57.5 | 94% | 0.935 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 53.2 | 42.3 | 179.6 | -61.7 | -170.9 | 169.8 | 0 | 0 | 114.7 | Q583 | Q583-E585 PolarHBondContact O-N 2.93Š|
| 586 | R | 66.3 | Low | 82.1 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | trans | -97.2 | 138.4 | 176.5 | -71.7 | -179.6 | 158 | -142.3 | -6.9 | 111.9 | P565 L566 G584 V588 | P565-R586 VanDerWaalsContact CD-NH1 3.31Å; P565-R586 VanDerWaalsContact CG-NH1 3.33Å; L566-R586 HydrophobicContact CD1-CB 4.14Å; G584-R586 PolarHBondContact O-N 2.97Å; R586-V588 PolarHBondContact O-N 3.34Å | ||
| 587 | E | 78.5 | Confident | 82.3 | Confident | 147 Ų | 147 | 55 Ų | 55 | 69% | 0.687 | 28% | 0.28 | S | S | * | . | trans | -58.7 | 123.3 | 170.4 | -68.3 | -177.1 | 170.7 | 0 | 0 | 110.6 | Q590 | E587-Q590 HydrophobicContact CB-CG 3.88Å; E587-Q590 VanDerWaalsContact O-CG 3.32Å; E587-Q590 WeakPolarHBondContact O-CG 3.49Å; E587-Q590 PolarHBondContact O-NE2 3.36Å | ||
| 588 | V | 83.8 | Confident | 82.4 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 17% | 0.17 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -35.7 | -174.2 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | L582 R586 Q590 L614 A619 | L582-V588 HydrophobicContact CD2-CB 4.39Å; L582-V588 HydrophobicContact CD2-CG1 4.15Å; L582-V588 HydrophobicContact CD2-CG2 3.9Å; R586-V588 PolarHBondContact O-N 3.34Å; V588-Q590 PolarHBondContact O-N 2.9Å; V588-L614 HydrophobicContact CG1-CD2 4.12Å; V588-A619 HydrophobicContact CG1-CB 3.63Å |
| 589 | D | 84.1 | Confident | 82.6 | Confident | 63 Ų | 63 | 55 Ų | 55 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 30.2 | -176.2 | -69.6 | -31.3 | 0 | 0 | 0 | 113.2 | T597 A619 S620 | D589-T597 HydrophobicContact CB-CG2 4.27Å; D589-A619 WeakPolarHBondContact OD1-CA 3.41Å; D589-S620 PolarHBondContact OD1-N 3.11Å; D589-S620 VanDerWaalsContact OD1-N 3.09Å; D589-S620 WeakPolarHBondContact OD2-CB 3.47Å; D589-S620 PolarHBondContact OD2-N 3.38Å; D589-S620 VanDerWaalsContact OD2-N 3.12Å |
| 590 | Q | 85.1 | Confident | 82.8 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | trans | -54.7 | 142.9 | 169.4 | -73.7 | 172.4 | 12.8 | 0 | 0 | 110.2 | S564 H567 E587 V588 T597 P598 | S564-Q590 VanDerWaalsContact CB-OE1 3.28Å; S564-Q590 PolarHBondContact OG-OE1 2.79Å; H567-Q590 PolarHBondContact CE1-O 3.24Å; H567-Q590 PolarHBondContact NE2-O 2.8Å; H567-Q590 VanDerWaalsContact NE2-O 3.13Å; E587-Q590 HydrophobicContact CB-CG 3.88Å; E587-Q590 VanDerWaalsContact O-CG 3.32Å; E587-Q590 WeakPolarHBondContact O-CG 3.49Å; E587-Q590 PolarHBondContact O-NE2 3.36Å; V588-Q590 PolarHBondContact O-N 2.9Å; Q590-T597 WeakPolarHBondContact O-CA 3.09Å; Q590-P598 VanDerWaalsContact O-CD 3.22Å; Q590-P598 WeakPolarHBondContact O-CD 3.42Å | ||
| 591 | T | 85.9 | Confident | 83.1 | Confident | 84 Ų | 84 | 51.2 Ų | 51.2 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | trans | -109.6 | 142.9 | 179.9 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | G595 R596 T597 | T591-G595 WeakPolarHBondContact CG2-O 3.2Å; T591-R596 WeakPolarHBondContact CA-O 3.23Å; T591-T597 HydrophobicContact CG2-CG2 4.11Å | ||
| 592 | D | 84.8 | Confident | 83.4 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | trans | -78.6 | -179 | 169 | 80 | -9.3 | 0 | 0 | 0 | 111.8 | R563 H567 A594 G595 R596 | R563-D592 HydrophobicContact CG-CB 4.34Å; R563-D592 IonicContact NE-OD2 2.75Å; H567-D592 PolarHBondContact NE2-N 3.49Å; D592-A594 PolarHBondContact O-N 3.05Å; D592-A594 WeakPolarHBondContact OD1-CA 3.41Å; D592-A594 WeakPolarHBondContact OD1-CB 3.4Å; D592-A594 PolarHBondContact OD1-N 3.04Å; D592-G595 WeakPolarHBondContact O-CA 3.2Å; D592-G595 PolarHBondContact O-N 3.42Å; D592-G595 PolarHBondContact OD1-N 3.09Å; D592-R596 PolarHBondContact N-O 3.06Å; D592-R596 WeakPolarHBondContact OD1-CB 3.43Å; D592-R596 PolarHBondContact OD1-N 3.45Å; D592-R596 IonicContact OD1-NE 3.64Å; D592-R596 IonicContact OD2-CZ 3.95Å; D592-R596 IonicContact OD2-NE 2.68Å; D592-R596 PolarHBondContact OD2-NE 2.87Å; D592-R596 VanDerWaalsContact OD2-NE 3.08Å; D592-R596 IonicContact OD2-NH2 2.77Å; D592-R596 PolarHBondContact OD2-NH2 3.5Å | ||
| 593 | E | 80.9 | Confident | 83.9 | Confident | 126 Ų | 126 | 50.3 Ų | 50.3 | 59% | 0.589 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -24.6 | 177.6 | -63.9 | -169.9 | 120.9 | 0 | 0 | 114.4 | H561 G595 | H561-E593 VanDerWaalsContact CA-OE1 3.31Å; H561-E593 WeakPolarHBondContact CA-OE1 3.29Å; H561-E593 IonicContact CE1-OE1 3.4Å; H561-E593 IonicContact CG-OE1 3.29Å; H561-E593 IonicContact ND1-OE1 3.61Å; H561-E593 PolarHBondContact ND1-OE1 3.32Å; E593-G595 VanDerWaalsContact C-N 3.31Å |
| 594 | A | 81.6 | Confident | 84.5 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 5.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | D592 R596 Q626 | D592-A594 PolarHBondContact O-N 3.05Å; D592-A594 WeakPolarHBondContact OD1-CA 3.41Å; D592-A594 WeakPolarHBondContact OD1-CB 3.4Å; D592-A594 PolarHBondContact OD1-N 3.04Å; A594-R596 VanDerWaalsContact C-N 3.32Å; A594-R596 HydrophobicContact CB-CG 4.29Å; A594-Q626 PolarHBondContact O-N 2.89Å |
| 595 | G | 85.5 | Confident | 85.9 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 77 | 12.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T591 D592 E593 | T591-G595 WeakPolarHBondContact CG2-O 3.2Å; D592-G595 WeakPolarHBondContact O-CA 3.2Å; D592-G595 PolarHBondContact O-N 3.42Å; D592-G595 PolarHBondContact OD1-N 3.09Å; E593-G595 VanDerWaalsContact C-N 3.31Å |
| 596 | R | 88.8 | Confident | 87.7 | Confident | 52 Ų | 52 | 40.1 Ų | 40.1 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | trans | -89 | 136.4 | -176.2 | -62.7 | 174.3 | -62.3 | -153.5 | -8.1 | 110.9 | R563 H567 T591 D592 A594 A600 L601 D625 | R563-R596 VanDerWaalsContact NH2-NH2 3.2Å; H567-R596 PolarHBondContact NE2-O 2.97Å; H567-R596 VanDerWaalsContact NE2-O 3.08Å; T591-R596 WeakPolarHBondContact CA-O 3.23Å; D592-R596 PolarHBondContact N-O 3.06Å; D592-R596 WeakPolarHBondContact OD1-CB 3.43Å; D592-R596 PolarHBondContact OD1-N 3.45Å; D592-R596 IonicContact OD1-NE 3.64Å; D592-R596 IonicContact OD2-CZ 3.95Å; D592-R596 IonicContact OD2-NE 2.68Å; D592-R596 PolarHBondContact OD2-NE 2.87Å; D592-R596 VanDerWaalsContact OD2-NE 3.08Å; D592-R596 IonicContact OD2-NH2 2.77Å; D592-R596 PolarHBondContact OD2-NH2 3.5Å; A594-R596 VanDerWaalsContact C-N 3.32Å; A594-R596 HydrophobicContact CB-CG 4.29Å; R596-A600 HydrophobicContact CB-CB 4.19Å; R596-L601 HydrophobicContact CB-CD2 4.34Å; R596-L601 HydrophobicContact CB-CG 4.48Å; R596-D625 HydrophobicContact CG-CB 3.71Å | ||
| 597 | T | 91.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | trans | -79.7 | 162.9 | 171.7 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | D589 Q590 T591 L599 A600 L601 S623 | D589-T597 HydrophobicContact CB-CG2 4.27Å; Q590-T597 WeakPolarHBondContact O-CA 3.09Å; T591-T597 HydrophobicContact CG2-CG2 4.11Å; T597-L599 PolarHBondContact O-N 3.36Å; T597-A600 WeakPolarHBondContact O-CB 3.4Å; T597-A600 PolarHBondContact O-N 2.94Å; T597-A600 VanDerWaalsContact O-N 3.11Å; T597-A600 PolarHBondContact OG1-N 2.73Å; T597-L601 PolarHBondContact O-N 3.05Å; T597-L601 VanDerWaalsContact O-N 3.12Å; T597-S623 VanDerWaalsContact CG2-CB 3.5Å; T597-S623 WeakPolarHBondContact CG2-OG 3.29Å; T597-S623 PolarHBondContact OG1-OG 3.28Å; T597-S623 VanDerWaalsContact OG1-OG 3.04Å | ||
| 598 | P | 92 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.4 | -37.8 | 169.5 | -27.1 | 34.5 | 0 | 0 | 0 | 112.3 | L566 A570 Q590 L601 A602 L614 | L566-P598 HydrophobicContact CB-CB 4.37Å; L566-P598 HydrophobicContact CB-CG 3.81Å; A570-P598 HydrophobicContact CB-CB 3.83Å; A570-P598 VanDerWaalsContact CB-O 3.29Å; A570-P598 WeakPolarHBondContact CB-O 3.41Å; Q590-P598 VanDerWaalsContact O-CD 3.22Å; Q590-P598 WeakPolarHBondContact O-CD 3.42Å; P598-L601 PolarHBondContact O-N 3.24Å; P598-A602 PolarHBondContact O-N 3.29Å; P598-L614 HydrophobicContact CB-CD1 4.08Å; P598-L614 HydrophobicContact CB-CD2 4.2Å |
| 599 | L | 93.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.7 | -178.2 | 64.3 | 0 | 0 | 0 | 111.5 | T597 L601 A602 A603 V611 L614 L615 A619 P621 P632 L648 | T597-L599 PolarHBondContact O-N 3.36Å; L599-L601 VanDerWaalsContact C-N 3.31Å; L599-L601 PolarHBondContact O-N 3.02Å; L599-A602 PolarHBondContact O-N 3.36Å; L599-A603 VanDerWaalsContact O-CB 3.25Å; L599-A603 WeakPolarHBondContact O-CB 3.38Å; L599-A603 PolarHBondContact O-N 2.92Å; L599-V611 HydrophobicContact CD1-CB 4.38Å; L599-V611 HydrophobicContact CD1-CG1 4.01Å; L599-V611 HydrophobicContact CD1-CG2 4.39Å; L599-L614 HydrophobicContact CB-CD1 4.34Å; L599-L614 HydrophobicContact CD1-CB 4.1Å; L599-L614 HydrophobicContact CD1-CD1 4.48Å; L599-L615 HydrophobicContact CD1-CD2 4.17Å; L599-L615 HydrophobicContact CD1-CG 4.13Å; L599-L615 HydrophobicContact CD2-CD2 3.8Å; L599-A619 HydrophobicContact CB-CB 4.29Å; L599-A619 HydrophobicContact CD2-CB 4.05Å; L599-P621 HydrophobicContact CD2-CB 4.28Å; L599-P632 HydrophobicContact CD2-CG 4.15Å; L599-P632 HydrophobicContact CG-CB 4.29Å; L599-P632 HydrophobicContact CG-CG 4.1Å; L599-L648 HydrophobicContact CD1-CD2 4.1Å; L599-L648 HydrophobicContact CD2-CD2 4.07Å; L599-L648 HydrophobicContact CG-CD2 4.23Å |
| 600 | A | 93.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R596 T597 L604 P632 L635 | R596-A600 HydrophobicContact CB-CB 4.19Å; T597-A600 WeakPolarHBondContact O-CB 3.4Å; T597-A600 PolarHBondContact O-N 2.94Å; T597-A600 VanDerWaalsContact O-N 3.11Å; T597-A600 PolarHBondContact OG1-N 2.73Å; A600-L604 VanDerWaalsContact O-CB 3.24Å; A600-L604 WeakPolarHBondContact O-CB 3.44Å; A600-L604 PolarHBondContact O-N 3.37Å; A600-P632 HydrophobicContact CB-CG 4.1Å; A600-L635 HydrophobicContact CB-CD1 3.93Å |
| 601 | L | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.5 | -39.8 | 177 | -65.4 | -178.9 | 0 | 0 | 0 | 113 | H567 Y571 R596 T597 P598 L599 L604 R605 | H567-L601 HydrophobicContact CB-CD1 3.77Å; Y571-L601 HydrophobicContact CD2-CB 4.43Å; Y571-L601 HydrophobicContact CD2-CD2 4.28Å; R596-L601 HydrophobicContact CB-CD2 4.34Å; R596-L601 HydrophobicContact CB-CG 4.48Å; T597-L601 PolarHBondContact O-N 3.05Å; T597-L601 VanDerWaalsContact O-N 3.12Å; P598-L601 PolarHBondContact O-N 3.24Å; L599-L601 VanDerWaalsContact C-N 3.31Å; L599-L601 PolarHBondContact O-N 3.02Å; L601-L604 HydrophobicContact CD2-CD2 4.49Å; L601-L604 PolarHBondContact O-N 2.85Å; L601-R605 WeakPolarHBondContact O-CG 3.43Å; L601-R605 PolarHBondContact O-N 2.92Å |
| 602 | A | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A570 P598 L599 R605 G606 H607 C610 V611 L614 | A570-A602 HydrophobicContact CB-CB 4.2Å; P598-A602 PolarHBondContact O-N 3.29Å; L599-A602 PolarHBondContact O-N 3.36Å; A602-R605 PolarHBondContact O-N 3.27Å; A602-G606 PolarHBondContact O-N 3.31Å; A602-H607 PolarHBondContact O-N 3.42Å; A602-C610 HydrophobicContact CB-CB 3.88Å; A602-V611 HydrophobicContact CB-CG2 3.86Å; A602-L614 HydrophobicContact CB-CD1 4.23Å |
| 603 | A | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L599 R605 G606 V611 P632 A636 H641 L648 | L599-A603 VanDerWaalsContact O-CB 3.25Å; L599-A603 WeakPolarHBondContact O-CB 3.38Å; L599-A603 PolarHBondContact O-N 2.92Å; A603-R605 PolarHBondContact O-N 2.97Å; A603-G606 PolarHBondContact O-N 3.18Å; A603-V611 HydrophobicContact CB-CG2 4.43Å; A603-P632 HydrophobicContact CB-CB 3.93Å; A603-P632 WeakPolarHBondContact CB-O 3.22Å; A603-A636 HydrophobicContact CB-CB 4.19Å; A603-A636 WeakPolarHBondContact O-CA 3.46Å; A603-H641 PolarHBondContact O-CD2 3.29Å; A603-L648 HydrophobicContact CB-CD1 4.14Å |
| 604 | L | 94.1 | Very high | 92.4 | Very high | 34 Ų | 34 | 28.2 Ų | 28.2 | 18% | 0.178 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.8 | -34 | 175.6 | 178.4 | 71 | 0 | 0 | 0 | 113.1 | A600 L601 L635 M638 N639 H641 | A600-L604 VanDerWaalsContact O-CB 3.24Å; A600-L604 WeakPolarHBondContact O-CB 3.44Å; A600-L604 PolarHBondContact O-N 3.37Å; L601-L604 HydrophobicContact CD2-CD2 4.49Å; L601-L604 PolarHBondContact O-N 2.85Å; L604-L635 HydrophobicContact CB-CB 4.11Å; L604-L635 HydrophobicContact CB-CD1 4.33Å; L604-L635 HydrophobicContact CD1-CB 4.07Å; L604-L635 HydrophobicContact CD1-CD2 4.18Å; L604-M638 HydrophobicContact CD1-CE 4.24Å; L604-N639 WeakPolarHBondContact CD1-ND2 3.44Å; L604-N639 PolarHBondContact O-ND2 3.17Å; L604-H641 PolarHBondContact O-NE2 2.94Å |
| 605 | R | 94.8 | Very high | 92.8 | Very high | 123 Ų | 123 | 27.9 Ų | 27.9 | 46% | 0.464 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -99.2 | -5.2 | -176.6 | -62.5 | -64 | -62.6 | -164.8 | 0.9 | 113.7 | Y571 L601 A602 A603 H607 | Y571-R605 HydrophobicContact CD2-CG 3.91Å; Y571-R605 HydrophobicContact CE2-CG 3.97Å; Y571-R605 HydrophobicContact CG-CG 4.46Å; Y571-R605 PolarHBondContact OH-NH1 2.94Å; L601-R605 WeakPolarHBondContact O-CG 3.43Å; L601-R605 PolarHBondContact O-N 2.92Å; A602-R605 PolarHBondContact O-N 3.27Å; A603-R605 PolarHBondContact O-N 2.97Å; R605-H607 VanDerWaalsContact CB-CD2 3.44Å; R605-H607 WeakPolarHBondContact CB-CD2 3.22Å; R605-H607 WeakPolarHBondContact CB-NE2 3.31Å |
| 606 | G | 94.3 | Very high | 93 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 25.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A602 A603 T608 H641 C644 | A602-G606 PolarHBondContact O-N 3.31Å; A603-G606 PolarHBondContact O-N 3.18Å; G606-T608 PolarHBondContact O-N 3.24Å; G606-T608 VanDerWaalsContact O-N 3.07Å; G606-H641 WeakPolarHBondContact CA-CD2 3.42Å; G606-H641 PolarHBondContact N-CD2 3.27Å; G606-H641 PolarHBondContact N-NE2 3.3Å; G606-C644 VanDerWaalsContact C-SG 3.59Å |
| 607 | H | 95.6 | Very high | 93 | Very high | 52 Ų | 52 | 33.7 Ų | 33.7 | 24% | 0.241 | 18% | 0.175 | C | C | . | . | trans | -83.6 | 82.5 | -178.5 | -63.9 | -44.8 | 0 | 0 | 0 | 111.1 | A570 Y571 G573 A602 R605 D609 C610 V611 | A570-H607 PolarHBondContact O-CD2 3.07Å; Y571-H607 PolarHBondContact O-NE2 2.95Å; G573-H607 WeakPolarHBondContact CA-CD2 3.45Å; G573-H607 PolarHBondContact N-CD2 3.21Å; G573-H607 VanDerWaalsContact N-CD2 3.31Å; G573-H607 PolarHBondContact N-NE2 2.97Å; A602-H607 PolarHBondContact O-N 3.42Å; R605-H607 VanDerWaalsContact CB-CD2 3.44Å; R605-H607 WeakPolarHBondContact CB-CD2 3.22Å; R605-H607 WeakPolarHBondContact CB-NE2 3.31Å; H607-D609 PolarHBondContact O-N 3.47Å; H607-C610 HydrophobicContact CB-CB 3.93Å; H607-C610 WeakPolarHBondContact O-CB 3.4Å; H607-C610 PolarHBondContact O-N 3.49Å; H607-C610 VanDerWaalsContact O-N 3.08Å; H607-V611 WeakPolarHBondContact O-CG2 3.24Å; H607-V611 PolarHBondContact O-N 3.35Å | ||
| 608 | T | 94.1 | Very high | 92.8 | Very high | 42 Ų | 42 | 36.4 Ų | 36.4 | 26% | 0.258 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -53.5 | -45.9 | -174.4 | -54.7 | 0 | 0 | 0 | 0 | 113.4 | G606 C610 V611 H612 T643 C644 L647 | G606-T608 PolarHBondContact O-N 3.24Å; G606-T608 VanDerWaalsContact O-N 3.07Å; T608-C610 VanDerWaalsContact C-N 3.33Å; T608-C610 PolarHBondContact O-N 3.23Å; T608-V611 WeakPolarHBondContact O-CB 3.45Å; T608-V611 PolarHBondContact O-N 2.93Å; T608-H612 PolarHBondContact O-N 3.11Å; T608-T643 PolarHBondContact OG1-OG1 3.02Å; T608-C644 PolarHBondContact OG1-SG 3.43Å; T608-L647 HydrophobicContact CG2-CD1 3.49Å; T608-L647 VanDerWaalsContact CG2-CD1 3.49Å |
| 609 | D | 93.4 | Very high | 92.7 | Very high | 117 Ų | 117 | 36.7 Ų | 36.7 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.8 | -38.1 | 179.7 | -57.9 | -26.2 | 0 | 0 | 0 | 111.7 | A575 H607 H612 T613 | A575-D609 HydrophobicContact CB-CB 3.8Å; H607-D609 PolarHBondContact O-N 3.47Å; D609-H612 PolarHBondContact O-N 3.01Å; D609-T613 WeakPolarHBondContact O-CB 3.25Å; D609-T613 PolarHBondContact O-N 2.93Å; D609-T613 PolarHBondContact O-OG1 2.87Å |
| 610 | C | 93.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | 175.7 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | G573 H574 A575 L578 A602 H607 T608 T613 L614 | G573-C610 VanDerWaalsContact CA-SG 3.51Å; H574-C610 PolarHBondContact N-SG 3.48Å; A575-C610 PolarHBondContact N-SG 3.36Å; A575-C610 VanDerWaalsContact N-SG 3.36Å; L578-C610 HydrophobicContact CD1-CB 3.69Å; A602-C610 HydrophobicContact CB-CB 3.88Å; H607-C610 HydrophobicContact CB-CB 3.93Å; H607-C610 WeakPolarHBondContact O-CB 3.4Å; H607-C610 PolarHBondContact O-N 3.49Å; H607-C610 VanDerWaalsContact O-N 3.08Å; T608-C610 VanDerWaalsContact C-N 3.33Å; T608-C610 PolarHBondContact O-N 3.23Å; C610-T613 PolarHBondContact O-N 3.01Å; C610-L614 WeakPolarHBondContact O-CB 3.44Å; C610-L614 WeakPolarHBondContact O-CD1 3.25Å; C610-L614 VanDerWaalsContact O-CG 3.23Å; C610-L614 WeakPolarHBondContact O-CG 3.45Å; C610-L614 PolarHBondContact O-N 3.36Å |
| 611 | V | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | L599 A602 A603 H607 T608 L614 L615 C644 L647 L648 | L599-V611 HydrophobicContact CD1-CB 4.38Å; L599-V611 HydrophobicContact CD1-CG1 4.01Å; L599-V611 HydrophobicContact CD1-CG2 4.39Å; A602-V611 HydrophobicContact CB-CG2 3.86Å; A603-V611 HydrophobicContact CB-CG2 4.43Å; H607-V611 WeakPolarHBondContact O-CG2 3.24Å; H607-V611 PolarHBondContact O-N 3.35Å; T608-V611 WeakPolarHBondContact O-CB 3.45Å; T608-V611 PolarHBondContact O-N 2.93Å; V611-L614 PolarHBondContact O-N 2.94Å; V611-L615 HydrophobicContact CG1-CD1 3.8Å; V611-L615 HydrophobicContact CG1-CG 4.36Å; V611-L615 WeakPolarHBondContact O-CB 3.41Å; V611-L615 VanDerWaalsContact O-CG 3.27Å; V611-L615 WeakPolarHBondContact O-CG 3.4Å; V611-L615 PolarHBondContact O-N 3.31Å; V611-C644 HydrophobicContact CG2-CB 4.35Å; V611-L647 HydrophobicContact CG1-CB 4.16Å; V611-L647 HydrophobicContact CG1-CD1 4.26Å; V611-L648 HydrophobicContact CG1-CD2 4.19Å; V611-L648 HydrophobicContact CG1-CG 4.2Å |
| 612 | H | 93.6 | Very high | 91.8 | Very high | 110 Ų | 110 | 42 Ų | 42 | 51% | 0.509 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 176.9 | 179.2 | -83.4 | 0 | 0 | 0 | 112.2 | T608 D609 L614 L615 S616 L647 | T608-H612 PolarHBondContact O-N 3.11Å; D609-H612 PolarHBondContact O-N 3.01Å; H612-L614 VanDerWaalsContact C-N 3.35Å; H612-L614 PolarHBondContact O-N 3.47Å; H612-L615 PolarHBondContact O-N 3.4Å; H612-S616 WeakPolarHBondContact O-CB 3.11Å; H612-S616 PolarHBondContact O-N 3.29Å; H612-S616 PolarHBondContact O-OG 3.5Å; H612-L647 HydrophobicContact CB-CD1 4.08Å |
| 613 | T | 91.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 178.2 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | L578 E579 L582 D609 C610 S616 Q617 | L578-T613 HydrophobicContact CB-CG2 4.31Å; E579-T613 HydrophobicContact CG-CG2 3.81Å; L582-T613 HydrophobicContact CD1-CG2 4.39Å; D609-T613 WeakPolarHBondContact O-CB 3.25Å; D609-T613 PolarHBondContact O-N 2.93Å; D609-T613 PolarHBondContact O-OG1 2.87Å; C610-T613 PolarHBondContact O-N 3.01Å; T613-S616 PolarHBondContact O-N 3.14Å; T613-S616 PolarHBondContact O-OG 3.17Å; T613-Q617 WeakPolarHBondContact O-CG 3.38Å; T613-Q617 PolarHBondContact O-N 3.08Å |
| 614 | L | 91.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | -179.8 | -72.5 | 165.4 | 0 | 0 | 0 | 112.3 | A570 L578 L582 V588 P598 L599 A602 C610 V611 H612 S616 Q617 G618 A619 | A570-L614 HydrophobicContact CB-CD1 4.23Å; L578-L614 HydrophobicContact CD1-CD1 4.15Å; L578-L614 HydrophobicContact CD1-CD2 4.46Å; L578-L614 HydrophobicContact CD1-CG 4.12Å; L578-L614 HydrophobicContact CD2-CD2 4.46Å; L582-L614 HydrophobicContact CD1-CD2 4.06Å; V588-L614 HydrophobicContact CG1-CD2 4.12Å; P598-L614 HydrophobicContact CB-CD1 4.08Å; P598-L614 HydrophobicContact CB-CD2 4.2Å; L599-L614 HydrophobicContact CB-CD1 4.34Å; L599-L614 HydrophobicContact CD1-CB 4.1Å; L599-L614 HydrophobicContact CD1-CD1 4.48Å; A602-L614 HydrophobicContact CB-CD1 4.23Å; C610-L614 WeakPolarHBondContact O-CB 3.44Å; C610-L614 WeakPolarHBondContact O-CD1 3.25Å; C610-L614 VanDerWaalsContact O-CG 3.23Å; C610-L614 WeakPolarHBondContact O-CG 3.45Å; C610-L614 PolarHBondContact O-N 3.36Å; V611-L614 PolarHBondContact O-N 2.94Å; H612-L614 VanDerWaalsContact C-N 3.35Å; H612-L614 PolarHBondContact O-N 3.47Å; L614-S616 PolarHBondContact O-N 3.48Å; L614-Q617 PolarHBondContact O-N 3.48Å; L614-G618 PolarHBondContact O-N 3.3Å; L614-A619 HydrophobicContact CB-CB 3.97Å; L614-A619 WeakPolarHBondContact O-CB 3.49Å; L614-A619 PolarHBondContact O-N 3.02Å |
| 615 | L | 90.6 | Very high | 90.6 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.6 | -69.5 | 174.5 | 0 | 0 | 0 | 111.4 | L599 V611 H612 Q617 G618 L647 L648 E651 | L599-L615 HydrophobicContact CD1-CD2 4.17Å; L599-L615 HydrophobicContact CD1-CG 4.13Å; L599-L615 HydrophobicContact CD2-CD2 3.8Å; V611-L615 HydrophobicContact CG1-CD1 3.8Å; V611-L615 HydrophobicContact CG1-CG 4.36Å; V611-L615 WeakPolarHBondContact O-CB 3.41Å; V611-L615 VanDerWaalsContact O-CG 3.27Å; V611-L615 WeakPolarHBondContact O-CG 3.4Å; V611-L615 PolarHBondContact O-N 3.31Å; H612-L615 PolarHBondContact O-N 3.4Å; L615-Q617 PolarHBondContact O-N 3.22Å; L615-Q617 VanDerWaalsContact O-N 3.11Å; L615-G618 PolarHBondContact O-N 3.44Å; L615-L647 HydrophobicContact CD1-CB 4.3Å; L615-L648 HydrophobicContact CD1-CD2 4.29Å; L615-L648 HydrophobicContact CD2-CD2 4.33Å; L615-E651 HydrophobicContact CD1-CG 4.09Å; L615-E651 HydrophobicContact CD2-CG 4.18Å |
| 616 | S | 89.6 | Confident | 90.2 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.4 | -22.7 | 177.8 | 76.1 | 0 | 0 | 0 | 0 | 114 | H612 T613 L614 | H612-S616 WeakPolarHBondContact O-CB 3.11Å; H612-S616 PolarHBondContact O-N 3.29Å; H612-S616 PolarHBondContact O-OG 3.5Å; T613-S616 PolarHBondContact O-N 3.14Å; T613-S616 PolarHBondContact O-OG 3.17Å; L614-S616 PolarHBondContact O-N 3.48Å |
| 617 | Q | 88.2 | Confident | 89.7 | Confident | 107 Ų | 107 | 52.3 Ų | 52.3 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 9.5 | 176.8 | -63 | -63.7 | -34.8 | 0 | 0 | 112.7 | L582 T613 L614 L615 | L582-Q617 HydrophobicContact CB-CG 4.48Å; L582-Q617 HydrophobicContact CD1-CB 4.13Å; L582-Q617 HydrophobicContact CD1-CG 3.88Å; T613-Q617 WeakPolarHBondContact O-CG 3.38Å; T613-Q617 PolarHBondContact O-N 3.08Å; L614-Q617 PolarHBondContact O-N 3.48Å; L615-Q617 PolarHBondContact O-N 3.22Å; L615-Q617 VanDerWaalsContact O-N 3.11Å |
| 618 | G | 87.3 | Confident | 89.2 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 59% | 0.588 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 22.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L614 L615 | L614-G618 PolarHBondContact O-N 3.3Å; L615-G618 PolarHBondContact O-N 3.44Å |
| 619 | A | 89 | Confident | 89 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | trans | -64.3 | 135.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V588 D589 L599 L614 P621 | V588-A619 HydrophobicContact CG1-CB 3.63Å; D589-A619 WeakPolarHBondContact OD1-CA 3.41Å; L599-A619 HydrophobicContact CB-CB 4.29Å; L599-A619 HydrophobicContact CD2-CB 4.05Å; L614-A619 HydrophobicContact CB-CB 3.97Å; L614-A619 WeakPolarHBondContact O-CB 3.49Å; L614-A619 PolarHBondContact O-N 3.02Å; A619-P621 WeakPolarHBondContact O-CD 3.47Å | ||
| 620 | S | 88.8 | Confident | 88.9 | Confident | 43 Ų | 43 | 50 Ų | 50 | 30% | 0.301 | 28% | 0.278 | S | S | . | . | trans | -83.4 | 123.2 | -179.2 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | D589 H622 S623 | D589-S620 PolarHBondContact OD1-N 3.11Å; D589-S620 VanDerWaalsContact OD1-N 3.09Å; D589-S620 WeakPolarHBondContact OD2-CB 3.47Å; D589-S620 PolarHBondContact OD2-N 3.38Å; D589-S620 VanDerWaalsContact OD2-N 3.12Å; S620-H622 PolarHBondContact O-N 2.67Å; S620-H622 PolarHBondContact OG-N 3.01Å; S620-S623 PolarHBondContact O-OG 3.25Å | ||
| 621 | P | 87.8 | Confident | 88.9 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -4.7 | 175.6 | 33.5 | -36 | 0 | 0 | 0 | 113.3 | L599 A619 P632 L648 L657 | L599-P621 HydrophobicContact CD2-CB 4.28Å; A619-P621 WeakPolarHBondContact O-CD 3.47Å; P621-P632 WeakPolarHBondContact O-CD 3.44Å; P621-L648 HydrophobicContact CB-CD2 4.06Å; P621-L657 HydrophobicContact CB-CD1 3.69Å; P621-L657 HydrophobicContact CG-CD1 4Å; P621-L657 WeakPolarHBondContact O-CD1 3.37Å |
| 622 | H | 85.4 | Confident | 88.8 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 30% | 0.296 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -8.1 | -179.6 | -62.8 | 78.1 | 0 | 0 | 0 | 113.6 | S620 S624 D653 | S620-H622 PolarHBondContact O-N 2.67Å; S620-H622 PolarHBondContact OG-N 3.01Å; H622-S624 PolarHBondContact O-N 2.96Å; H622-D653 WeakPolarHBondContact CE1-CB 3.48Å; H622-D653 PolarHBondContact CE1-O 3.06Å; H622-D653 PolarHBondContact NE2-O 3.21Å; H622-D653 VanDerWaalsContact NE2-O 3.09Å |
| 623 | S | 85.4 | Confident | 88.8 | Confident | 26 Ų | 26 | 45 Ų | 45 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | trans | -58.1 | 132.4 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | T597 S620 S631 P632 | T597-S623 VanDerWaalsContact CG2-CB 3.5Å; T597-S623 WeakPolarHBondContact CG2-OG 3.29Å; T597-S623 PolarHBondContact OG1-OG 3.28Å; T597-S623 VanDerWaalsContact OG1-OG 3.04Å; S620-S623 PolarHBondContact O-OG 3.25Å; S623-S631 WeakPolarHBondContact O-CA 3.44Å; S623-P632 WeakPolarHBondContact O-CD 3.14Å | ||
| 624 | S | 86.7 | Confident | 88.9 | Confident | 71 Ų | 71 | 44.7 Ų | 44.7 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | trans | -118.4 | 142.2 | 178.5 | 47.2 | 0 | 0 | 0 | 0 | 110.2 | H622 R630 | H622-S624 PolarHBondContact O-N 2.96Å; S624-R630 WeakPolarHBondContact CA-O 3.36Å | ||
| 625 | D | 87.6 | Confident | 89 | Confident | 14 Ų | 14 | 45 Ų | 45 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | trans | -67.6 | 153.3 | 173 | 74 | 38.7 | 0 | 0 | 0 | 111.6 | R596 Q627 Y628 G629 R630 | R596-D625 HydrophobicContact CG-CB 3.71Å; D625-Q627 VanDerWaalsContact C-N 3.32Å; D625-Q627 PolarHBondContact OD1-N 2.65Å; D625-Y628 WeakPolarHBondContact OD1-CA 3.47Å; D625-Y628 PolarHBondContact OD1-N 3.28Å; D625-G629 VanDerWaalsContact O-CA 3.24Å; D625-G629 WeakPolarHBondContact O-CA 3.5Å; D625-G629 PolarHBondContact O-N 2.91Å; D625-G629 VanDerWaalsContact O-N 3.11Å; D625-G629 PolarHBondContact OD1-N 3.25Å; D625-R630 PolarHBondContact N-O 2.89Å; D625-R630 PolarHBondContact OD1-N 2.67Å; D625-R630 WeakPolarHBondContact OD2-CB 3.44Å | ||
| 626 | Q | 85.9 | Confident | 89.2 | Confident | 156 Ų | 156 | 44.3 Ų | 44.3 | 73% | 0.729 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -21.8 | -178.8 | -73.5 | 177.2 | 14.8 | 0 | 0 | 112.9 | A594 | A594-Q626 PolarHBondContact O-N 2.89Š|
| 627 | Q | 83.6 | Confident | 89.5 | Confident | 126 Ų | 126 | 40.9 Ų | 40.9 | 59% | 0.589 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -42.7 | -169.6 | -172 | 176.3 | -1.5 | 0 | 0 | 112.7 | D625 | D625-Q627 VanDerWaalsContact C-N 3.32Å; D625-Q627 PolarHBondContact OD1-N 2.65Å |
| 628 | Y | 85.6 | Confident | 89.7 | Confident | 100 Ų | 100 | 38.7 Ų | 38.7 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | -5.3 | -175 | -60.3 | -71 | 0 | 0 | 0 | 112.6 | D625 R630 S663 | D625-Y628 WeakPolarHBondContact OD1-CA 3.47Å; D625-Y628 PolarHBondContact OD1-N 3.28Å; Y628-R630 VanDerWaalsContact C-N 3.28Å; Y628-S663 VanDerWaalsContact C-OG 3.28Å; Y628-S663 WeakPolarHBondContact CA-OG 3.33Å; Y628-S663 WeakPolarHBondContact O-CB 3.32Å; Y628-S663 PolarHBondContact O-N 2.81Å; Y628-S663 PolarHBondContact O-OG 2.68Å |
| 629 | G | 89.3 | Confident | 89.9 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 27% | 0.268 | 21% | 0.207 | S | C | . | . | trans | 71 | 25.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D625 | D625-G629 VanDerWaalsContact O-CA 3.24Å; D625-G629 WeakPolarHBondContact O-CA 3.5Å; D625-G629 PolarHBondContact O-N 2.91Å; D625-G629 VanDerWaalsContact O-N 3.11Å; D625-G629 PolarHBondContact OD1-N 3.25Å | ||
| 630 | R | 91.6 | Very high | 90.1 | Very high | 37 Ų | 37 | 40.1 Ų | 40.1 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | trans | -89.1 | 131.5 | -173.6 | -71.2 | 174.8 | 174.5 | -176.3 | -6.3 | 111.6 | S624 D625 Y628 H634 L635 M638 D662 | S624-R630 WeakPolarHBondContact CA-O 3.36Å; D625-R630 PolarHBondContact N-O 2.89Å; D625-R630 PolarHBondContact OD1-N 2.67Å; D625-R630 WeakPolarHBondContact OD2-CB 3.44Å; Y628-R630 VanDerWaalsContact C-N 3.28Å; R630-H634 HydrophobicContact CB-CB 3.87Å; R630-H634 HydrophobicContact CG-CB 4.06Å; R630-L635 HydrophobicContact CB-CD2 4.05Å; R630-L635 HydrophobicContact CB-CG 4.42Å; R630-M638 PolarHBondContact NH1-SD 2.87Å; R630-D662 HydrophobicContact CG-CB 3.83Å; R630-D662 IonicContact CZ-OD2 3.09Å; R630-D662 IonicContact NE-OD2 3.86Å; R630-D662 PolarHBondContact NE-OD2 3.03Å; R630-D662 VanDerWaalsContact NE-OD2 3.12Å; R630-D662 IonicContact NH2-OD2 3.07Å | ||
| 631 | S | 92.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | trans | -80.7 | 164.5 | 171.7 | 75.2 | 0 | 0 | 0 | 0 | 112.1 | S623 V633 H634 L635 | S623-S631 WeakPolarHBondContact O-CA 3.44Å; S631-V633 PolarHBondContact O-N 2.59Å; S631-V633 VanDerWaalsContact O-N 3.11Å; S631-H634 PolarHBondContact N-ND1 3.12Å; S631-H634 WeakPolarHBondContact O-CB 2.98Å; S631-H634 PolarHBondContact O-N 3.25Å; S631-H634 PolarHBondContact OG-ND1 3.15Å; S631-L635 PolarHBondContact O-N 3.09Å | ||
| 632 | P | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -46.9 | -37.4 | 171.1 | -30.5 | 31.5 | 0 | 0 | 0 | 114.2 | L599 A600 A603 P621 S623 L635 A636 L648 | L599-P632 HydrophobicContact CD2-CG 4.15Å; L599-P632 HydrophobicContact CG-CB 4.29Å; L599-P632 HydrophobicContact CG-CG 4.1Å; A600-P632 HydrophobicContact CB-CG 4.1Å; A603-P632 HydrophobicContact CB-CB 3.93Å; A603-P632 WeakPolarHBondContact CB-O 3.22Å; P621-P632 WeakPolarHBondContact O-CD 3.44Å; S623-P632 WeakPolarHBondContact O-CD 3.14Å; P632-L635 PolarHBondContact O-N 3.31Å; P632-A636 WeakPolarHBondContact O-CB 3.4Å; P632-A636 PolarHBondContact O-N 3.11Å; P632-L648 HydrophobicContact CB-CD1 3.94Å; P632-L648 HydrophobicContact CB-CD2 4.02Å |
| 633 | V | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 177.6 | 177.4 | 0 | 0 | 0 | 0 | 111 | S631 L635 A636 V637 L648 L649 L657 P668 | S631-V633 PolarHBondContact O-N 2.59Å; S631-V633 VanDerWaalsContact O-N 3.11Å; V633-L635 VanDerWaalsContact C-N 3.27Å; V633-L635 PolarHBondContact O-N 3.47Å; V633-A636 PolarHBondContact O-N 3.01Å; V633-V637 HydrophobicContact CG1-CG2 4.15Å; V633-V637 WeakPolarHBondContact O-CB 3.42Å; V633-V637 VanDerWaalsContact O-CG2 3.26Å; V633-V637 WeakPolarHBondContact O-CG2 3.46Å; V633-V637 PolarHBondContact O-N 3.43Å; V633-L648 HydrophobicContact CG2-CB 3.7Å; V633-L648 HydrophobicContact CG2-CD1 3.95Å; V633-L648 HydrophobicContact CG2-CG 4.4Å; V633-L649 HydrophobicContact CG1-CD2 4.49Å; V633-L649 HydrophobicContact CG2-CD2 4.3Å; V633-L657 HydrophobicContact CG2-CB 4.17Å; V633-L657 HydrophobicContact CG2-CD1 4.01Å; V633-P668 HydrophobicContact CG1-CB 4Å; V633-P668 HydrophobicContact CG1-CG 3.91Å |
| 634 | H | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.1 | -42.9 | 176.1 | -67 | 89 | 0 | 0 | 0 | 111.5 | R630 S631 M638 A660 Q666 L671 | R630-H634 HydrophobicContact CB-CB 3.87Å; R630-H634 HydrophobicContact CG-CB 4.06Å; S631-H634 PolarHBondContact N-ND1 3.12Å; S631-H634 WeakPolarHBondContact O-CB 2.98Å; S631-H634 PolarHBondContact O-N 3.25Å; S631-H634 PolarHBondContact OG-ND1 3.15Å; H634-M638 VanDerWaalsContact O-CB 3.24Å; H634-M638 WeakPolarHBondContact O-CB 3.2Å; H634-M638 PolarHBondContact O-N 3.21Å; H634-A660 PolarHBondContact CE1-O 3.21Å; H634-A660 PolarHBondContact NE2-O 3.35Å; H634-Q666 PolarHBondContact NE2-O 2.82Å; H634-L671 HydrophobicContact CB-CD1 3.85Å |
| 635 | L | 93.8 | Very high | 91.7 | Very high | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.4 | -39.1 | -179.1 | -59.6 | -179.6 | 0 | 0 | 0 | 112.7 | A600 L604 R630 S631 P632 V633 M638 N639 | A600-L635 HydrophobicContact CB-CD1 3.93Å; L604-L635 HydrophobicContact CB-CB 4.11Å; L604-L635 HydrophobicContact CB-CD1 4.33Å; L604-L635 HydrophobicContact CD1-CB 4.07Å; L604-L635 HydrophobicContact CD1-CD2 4.18Å; R630-L635 HydrophobicContact CB-CD2 4.05Å; R630-L635 HydrophobicContact CB-CG 4.42Å; S631-L635 PolarHBondContact O-N 3.09Å; P632-L635 PolarHBondContact O-N 3.31Å; V633-L635 VanDerWaalsContact C-N 3.27Å; V633-L635 PolarHBondContact O-N 3.47Å; L635-M638 HydrophobicContact CD2-CE 4.14Å; L635-N639 PolarHBondContact O-ND2 3.35Å |
| 636 | A | 95 | Very high | 92 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A603 P632 V633 N639 G640 H641 C644 V645 L648 | A603-A636 HydrophobicContact CB-CB 4.19Å; A603-A636 WeakPolarHBondContact O-CA 3.46Å; P632-A636 WeakPolarHBondContact O-CB 3.4Å; P632-A636 PolarHBondContact O-N 3.11Å; V633-A636 PolarHBondContact O-N 3.01Å; A636-N639 CarbonylContact O-C 3.52Å; A636-N639 PolarHBondContact O-N 3.37Å; A636-G640 PolarHBondContact O-N 3.11Å; A636-G640 VanDerWaalsContact O-N 3.1Å; A636-H641 HydrophobicContact CB-CB 4.34Å; A636-H641 PolarHBondContact O-N 3.45Å; A636-C644 HydrophobicContact CB-CB 4.16Å; A636-V645 HydrophobicContact CB-CG2 3.77Å; A636-L648 HydrophobicContact CB-CD1 4.32Å |
| 637 | V | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | -179 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | V633 N639 G640 V645 P668 L671 A672 H677 L684 | V633-V637 HydrophobicContact CG1-CG2 4.15Å; V633-V637 WeakPolarHBondContact O-CB 3.42Å; V633-V637 VanDerWaalsContact O-CG2 3.26Å; V633-V637 WeakPolarHBondContact O-CG2 3.46Å; V633-V637 PolarHBondContact O-N 3.43Å; V637-N639 PolarHBondContact O-N 3.12Å; V637-N639 VanDerWaalsContact O-N 3.11Å; V637-G640 PolarHBondContact O-N 2.96Å; V637-V645 HydrophobicContact CB-CG2 4.42Å; V637-V645 HydrophobicContact CG2-CB 4.37Å; V637-V645 HydrophobicContact CG2-CG1 3.96Å; V637-V645 HydrophobicContact CG2-CG2 3.42Å; V637-V645 VanDerWaalsContact CG2-CG2 3.42Å; V637-P668 WeakPolarHBondContact CG1-O 3.22Å; V637-P668 HydrophobicContact CG2-CB 4.22Å; V637-L671 HydrophobicContact CG1-CB 4.42Å; V637-A672 HydrophobicContact CG1-CB 3.28Å; V637-A672 VanDerWaalsContact CG1-N 3.33Å; V637-H677 PolarHBondContact O-CD2 3.44Å; V637-L684 HydrophobicContact CG1-CD1 4.37Å; V637-L684 HydrophobicContact CG2-CD1 4.21Å |
| 638 | M | 92.4 | Very high | 92.6 | Very high | 61 Ų | 61 | 30.9 Ų | 30.9 | 30% | 0.3 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.5 | -30 | 177.9 | -177.6 | 177.8 | 61.2 | 0 | 0 | 112.9 | L604 R630 H634 L635 H677 | L604-M638 HydrophobicContact CD1-CE 4.24Å; R630-M638 PolarHBondContact NH1-SD 2.87Å; H634-M638 VanDerWaalsContact O-CB 3.24Å; H634-M638 WeakPolarHBondContact O-CB 3.2Å; H634-M638 PolarHBondContact O-N 3.21Å; L635-M638 HydrophobicContact CD2-CE 4.14Å; M638-H677 PolarHBondContact O-NE2 3.44Å |
| 639 | N | 91.6 | Very high | 92.7 | Very high | 71 Ų | 71 | 26.4 Ų | 26.4 | 38% | 0.38 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 6.1 | 178.5 | -64.1 | -78 | 0 | 0 | 0 | 113.9 | L604 L635 A636 V637 H641 | L604-N639 WeakPolarHBondContact CD1-ND2 3.44Å; L604-N639 PolarHBondContact O-ND2 3.17Å; L635-N639 PolarHBondContact O-ND2 3.35Å; A636-N639 CarbonylContact O-C 3.52Å; A636-N639 PolarHBondContact O-N 3.37Å; V637-N639 PolarHBondContact O-N 3.12Å; V637-N639 VanDerWaalsContact O-N 3.11Å; N639-H641 WeakPolarHBondContact CB-NE2 3.49Å |
| 640 | G | 93.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 23% | 0.227 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 26.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A636 V637 T642 H677 | A636-G640 PolarHBondContact O-N 3.11Å; A636-G640 VanDerWaalsContact O-N 3.1Å; V637-G640 PolarHBondContact O-N 2.96Å; G640-T642 VanDerWaalsContact C-N 3.32Å; G640-T642 PolarHBondContact O-N 3.03Å; G640-T642 VanDerWaalsContact O-N 3.07Å; G640-H677 VanDerWaalsContact CA-ND1 3.33Å; G640-H677 WeakPolarHBondContact CA-ND1 3.17Å; G640-H677 PolarHBondContact N-CD2 2.83Å; G640-H677 PolarHBondContact N-NE2 3.18Å |
| 641 | H | 95.8 | Very high | 92 | Very high | 51 Ų | 51 | 31.6 Ų | 31.6 | 24% | 0.236 | 16% | 0.163 | C | C | . | . | trans | -87.1 | 65.6 | -176.9 | -61.3 | -41.6 | 0 | 0 | 0 | 112.5 | A603 L604 G606 A636 N639 T643 C644 V645 | A603-H641 PolarHBondContact O-CD2 3.29Å; L604-H641 PolarHBondContact O-NE2 2.94Å; G606-H641 WeakPolarHBondContact CA-CD2 3.42Å; G606-H641 PolarHBondContact N-CD2 3.27Å; G606-H641 PolarHBondContact N-NE2 3.3Å; A636-H641 HydrophobicContact CB-CB 4.34Å; A636-H641 PolarHBondContact O-N 3.45Å; N639-H641 WeakPolarHBondContact CB-NE2 3.49Å; H641-T643 VanDerWaalsContact C-N 3.28Å; H641-T643 PolarHBondContact O-N 3.22Å; H641-T643 VanDerWaalsContact O-N 3.14Å; H641-C644 HydrophobicContact CB-CB 4.16Å; H641-C644 WeakPolarHBondContact O-CA 3.42Å; H641-C644 WeakPolarHBondContact O-CB 3.39Å; H641-C644 PolarHBondContact O-N 3.5Å; H641-V645 WeakPolarHBondContact O-CG2 3.38Å; H641-V645 PolarHBondContact O-N 2.95Å; H641-V645 VanDerWaalsContact O-N 3.08Å | ||
| 642 | T | 93.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 36.3 Ų | 36.3 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -53.3 | -37 | -172 | -48.1 | 0 | 0 | 0 | 0 | 114.5 | G640 V645 R646 D679 L683 | G640-T642 VanDerWaalsContact C-N 3.32Å; G640-T642 PolarHBondContact O-N 3.03Å; G640-T642 VanDerWaalsContact O-N 3.07Å; T642-V645 WeakPolarHBondContact O-CB 3.48Å; T642-V645 PolarHBondContact O-N 2.88Å; T642-R646 PolarHBondContact O-N 3.03Å; T642-D679 HydrophobicContact CG2-CB 4.06Å; T642-L683 HydrophobicContact CG2-CB 4.35Å; T642-L683 HydrophobicContact CG2-CD2 3.88Å |
| 643 | T | 93.9 | Very high | 89.3 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 44% | 0.442 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.7 | -38 | 176.6 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | T608 H641 R646 L647 | T608-T643 PolarHBondContact OG1-OG1 3.02Å; H641-T643 VanDerWaalsContact C-N 3.28Å; H641-T643 PolarHBondContact O-N 3.22Å; H641-T643 VanDerWaalsContact O-N 3.14Å; T643-R646 PolarHBondContact O-N 3.1Å; T643-L647 WeakPolarHBondContact O-CG 3.29Å; T643-L647 PolarHBondContact O-N 2.82Å; T643-L647 VanDerWaalsContact O-N 3.15Å |
| 644 | C | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.1 | -39.5 | 175 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | G606 T608 V611 A636 H641 R646 L647 L648 | G606-C644 VanDerWaalsContact C-SG 3.59Å; T608-C644 PolarHBondContact OG1-SG 3.43Å; V611-C644 HydrophobicContact CG2-CB 4.35Å; A636-C644 HydrophobicContact CB-CB 4.16Å; H641-C644 HydrophobicContact CB-CB 4.16Å; H641-C644 WeakPolarHBondContact O-CA 3.42Å; H641-C644 WeakPolarHBondContact O-CB 3.39Å; H641-C644 PolarHBondContact O-N 3.5Å; C644-R646 VanDerWaalsContact C-N 3.33Å; C644-R646 PolarHBondContact O-N 3.14Å; C644-L647 PolarHBondContact O-N 3.08Å; C644-L648 WeakPolarHBondContact O-CB 3.26Å; C644-L648 WeakPolarHBondContact O-CD1 3.45Å; C644-L648 WeakPolarHBondContact O-CG 3.33Å; C644-L648 PolarHBondContact O-N 2.85Å |
| 645 | V | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 174.9 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | A636 V637 H641 T642 L647 L648 L649 L683 L684 | A636-V645 HydrophobicContact CB-CG2 3.77Å; V637-V645 HydrophobicContact CB-CG2 4.42Å; V637-V645 HydrophobicContact CG2-CB 4.37Å; V637-V645 HydrophobicContact CG2-CG1 3.96Å; V637-V645 HydrophobicContact CG2-CG2 3.42Å; V637-V645 VanDerWaalsContact CG2-CG2 3.42Å; H641-V645 WeakPolarHBondContact O-CG2 3.38Å; H641-V645 PolarHBondContact O-N 2.95Å; H641-V645 VanDerWaalsContact O-N 3.08Å; T642-V645 WeakPolarHBondContact O-CB 3.48Å; T642-V645 PolarHBondContact O-N 2.88Å; V645-L647 PolarHBondContact O-N 2.87Å; V645-L648 PolarHBondContact O-N 3.44Å; V645-L649 HydrophobicContact CG1-CD1 3.75Å; V645-L649 HydrophobicContact CG1-CG 4.3Å; V645-L649 WeakPolarHBondContact O-CB 3.37Å; V645-L649 VanDerWaalsContact O-CG 3.29Å; V645-L649 WeakPolarHBondContact O-CG 3.28Å; V645-L649 PolarHBondContact O-N 3.46Å; V645-L683 HydrophobicContact CB-CD2 4.07Å; V645-L683 HydrophobicContact CG1-CD2 3.87Å; V645-L684 HydrophobicContact CG1-CD2 4.45Å |
| 646 | R | 92.6 | Very high | 86.7 | Confident | 124 Ų | 124 | 52.9 Ų | 52.9 | 47% | 0.468 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.2 | -51.1 | 176.4 | -173.9 | -179.3 | -61.2 | 164.6 | 1.2 | 111.9 | T642 T643 C644 L648 L649 D650 L683 | T642-R646 PolarHBondContact O-N 3.03Å; T643-R646 PolarHBondContact O-N 3.1Å; C644-R646 VanDerWaalsContact C-N 3.33Å; C644-R646 PolarHBondContact O-N 3.14Å; R646-L648 VanDerWaalsContact C-N 3.33Å; R646-L648 PolarHBondContact O-N 3.38Å; R646-L649 PolarHBondContact O-N 2.97Å; R646-D650 WeakPolarHBondContact CG-OD2 3.48Å; R646-D650 WeakPolarHBondContact O-CB 3.3Å; R646-D650 PolarHBondContact O-N 2.83Å; R646-L683 HydrophobicContact CB-CD2 3.94Å |
| 647 | L | 91.4 | Very high | 86.3 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 178.9 | -70.7 | 178.7 | 0 | 0 | 0 | 112.6 | T608 V611 H612 L615 T643 C644 V645 L649 D650 | T608-L647 HydrophobicContact CG2-CD1 3.49Å; T608-L647 VanDerWaalsContact CG2-CD1 3.49Å; V611-L647 HydrophobicContact CG1-CB 4.16Å; V611-L647 HydrophobicContact CG1-CD1 4.26Å; H612-L647 HydrophobicContact CB-CD1 4.08Å; L615-L647 HydrophobicContact CD1-CB 4.3Å; T643-L647 WeakPolarHBondContact O-CG 3.29Å; T643-L647 PolarHBondContact O-N 2.82Å; T643-L647 VanDerWaalsContact O-N 3.15Å; C644-L647 PolarHBondContact O-N 3.08Å; V645-L647 PolarHBondContact O-N 2.87Å; L647-L649 VanDerWaalsContact C-N 3.32Å; L647-L649 PolarHBondContact O-N 2.7Å; L647-D650 PolarHBondContact O-N 2.77Å |
| 648 | L | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.9 | -30.9 | 179.7 | -70.2 | 166.1 | 0 | 0 | 0 | 112.9 | L599 A603 V611 L615 P621 P632 V633 A636 C644 V645 R646 | L599-L648 HydrophobicContact CD1-CD2 4.1Å; L599-L648 HydrophobicContact CD2-CD2 4.07Å; L599-L648 HydrophobicContact CG-CD2 4.23Å; A603-L648 HydrophobicContact CB-CD1 4.14Å; V611-L648 HydrophobicContact CG1-CD2 4.19Å; V611-L648 HydrophobicContact CG1-CG 4.2Å; L615-L648 HydrophobicContact CD1-CD2 4.29Å; L615-L648 HydrophobicContact CD2-CD2 4.33Å; P621-L648 HydrophobicContact CB-CD2 4.06Å; P632-L648 HydrophobicContact CB-CD1 3.94Å; P632-L648 HydrophobicContact CB-CD2 4.02Å; V633-L648 HydrophobicContact CG2-CB 3.7Å; V633-L648 HydrophobicContact CG2-CD1 3.95Å; V633-L648 HydrophobicContact CG2-CG 4.4Å; A636-L648 HydrophobicContact CB-CD1 4.32Å; C644-L648 WeakPolarHBondContact O-CB 3.26Å; C644-L648 WeakPolarHBondContact O-CD1 3.45Å; C644-L648 WeakPolarHBondContact O-CG 3.33Å; C644-L648 PolarHBondContact O-N 2.85Å; V645-L648 PolarHBondContact O-N 3.44Å; R646-L648 VanDerWaalsContact C-N 3.33Å; R646-L648 PolarHBondContact O-N 3.38Å |
| 649 | L | 87.9 | Confident | 85.8 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -90.1 | -15 | -179.9 | -65.1 | 179.2 | 0 | 0 | 0 | 113.8 | V633 V645 R646 L647 E651 G654 L657 I658 L684 R687 | V633-L649 HydrophobicContact CG1-CD2 4.49Å; V633-L649 HydrophobicContact CG2-CD2 4.3Å; V645-L649 HydrophobicContact CG1-CD1 3.75Å; V645-L649 HydrophobicContact CG1-CG 4.3Å; V645-L649 WeakPolarHBondContact O-CB 3.37Å; V645-L649 VanDerWaalsContact O-CG 3.29Å; V645-L649 WeakPolarHBondContact O-CG 3.28Å; V645-L649 PolarHBondContact O-N 3.46Å; R646-L649 PolarHBondContact O-N 2.97Å; L647-L649 VanDerWaalsContact C-N 3.32Å; L647-L649 PolarHBondContact O-N 2.7Å; L649-E651 VanDerWaalsContact C-N 3.35Å; L649-G654 WeakPolarHBondContact CD2-O 3.2Å; L649-L657 HydrophobicContact CD2-CB 4.36Å; L649-I658 HydrophobicContact CD2-CG1 3.91Å; L649-L684 HydrophobicContact CD1-CD2 3.87Å; L649-R687 PolarHBondContact O-NH1 3.08Å |
| 650 | D | 85.6 | Confident | 85.8 | Confident | 87 Ų | 87 | 51.8 Ų | 51.8 | 47% | 0.465 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -81 | -15.4 | 178.1 | -75.4 | -14.2 | 0 | 0 | 0 | 113.1 | R646 L647 R687 | R646-D650 WeakPolarHBondContact CG-OD2 3.48Å; R646-D650 WeakPolarHBondContact O-CB 3.3Å; R646-D650 PolarHBondContact O-N 2.83Å; L647-D650 PolarHBondContact O-N 2.77Å; D650-R687 IonicContact OD1-CZ 3.68Å; D650-R687 VanDerWaalsContact OD1-CZ 3.28Å; D650-R687 IonicContact OD1-NH1 3.29Å; D650-R687 PolarHBondContact OD1-NH1 2.9Å; D650-R687 IonicContact OD1-NH2 3.86Å; D650-R687 PolarHBondContact OD1-NH2 2.97Å |
| 651 | E | 79.8 | Confident | 85.7 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -67.6 | 151.1 | 172.7 | -69.9 | -61.6 | 142.6 | 0 | 0 | 111.9 | L615 L649 D653 G654 | L615-E651 HydrophobicContact CD1-CG 4.09Å; L615-E651 HydrophobicContact CD2-CG 4.18Å; L649-E651 VanDerWaalsContact C-N 3.35Å; E651-D653 PolarHBondContact O-N 3.02Å; E651-G654 PolarHBondContact O-N 3.18Å |
| 652 | S | 62.8 | Low | 85.5 | Confident | 104 Ų | 104 | 51.5 Ų | 51.5 | 73% | 0.727 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.7 | -173.7 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 653 | D | 66.6 | Low | 85.4 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -0.7 | -175.6 | -54.3 | -9 | 0 | 0 | 0 | 111.5 | H622 E651 V655 | H622-D653 WeakPolarHBondContact CE1-CB 3.48Å; H622-D653 PolarHBondContact CE1-O 3.06Å; H622-D653 PolarHBondContact NE2-O 3.21Å; H622-D653 VanDerWaalsContact NE2-O 3.09Å; E651-D653 PolarHBondContact O-N 3.02Å; D653-V655 VanDerWaalsContact C-N 3.29Å; D653-V655 PolarHBondContact O-N 3.28Å |
| 654 | G | 70.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -71.2 | -15.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L649 E651 E656 L657 | L649-G654 WeakPolarHBondContact CD2-O 3.2Å; E651-G654 PolarHBondContact O-N 3.18Å; G654-E656 VanDerWaalsContact C-N 3.33Å; G654-E656 PolarHBondContact O-N 2.93Å; G654-L657 WeakPolarHBondContact O-CB 3.42Å; G654-L657 PolarHBondContact O-N 3.47Å |
| 655 | V | 75.6 | Confident | 85.1 | Confident | 106 Ų | 106 | 55.2 Ų | 55.2 | 64% | 0.642 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -65.1 | -36.4 | -179 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | D653 L657 I658 | D653-V655 VanDerWaalsContact C-N 3.29Å; D653-V655 PolarHBondContact O-N 3.28Å; V655-L657 PolarHBondContact O-N 3.43Å; V655-I658 HydrophobicContact CG1-CD1 4.33Å; V655-I658 PolarHBondContact O-N 3.41Å |
| 656 | E | 81.1 | Confident | 85.2 | Confident | 158 Ų | 158 | 57 Ų | 57 | 74% | 0.738 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -69.2 | -15.6 | 179 | -61.5 | -170.4 | 171.2 | 0 | 0 | 112.6 | G654 | G654-E656 VanDerWaalsContact C-N 3.33Å; G654-E656 PolarHBondContact O-N 2.93Å |
| 657 | L | 85.3 | Confident | 85.3 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -88.6 | -12.3 | -177.9 | -61.7 | 174.5 | 0 | 0 | 0 | 114 | P621 V633 L649 G654 V655 A660 P668 | P621-L657 HydrophobicContact CB-CD1 3.69Å; P621-L657 HydrophobicContact CG-CD1 4Å; P621-L657 WeakPolarHBondContact O-CD1 3.37Å; V633-L657 HydrophobicContact CG2-CB 4.17Å; V633-L657 HydrophobicContact CG2-CD1 4.01Å; L649-L657 HydrophobicContact CD2-CB 4.36Å; G654-L657 WeakPolarHBondContact O-CB 3.42Å; G654-L657 PolarHBondContact O-N 3.47Å; V655-L657 PolarHBondContact O-N 3.43Å; L657-A660 HydrophobicContact CD2-CB 4.42Å; L657-P668 WeakPolarHBondContact O-CG 3.31Å |
| 658 | I | 87.8 | Confident | 85.4 | Confident | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.087 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -62.5 | -45.7 | -176.8 | -63.5 | 168.7 | 0 | 0 | 0 | 110.7 | L649 V655 P668 R687 A689 | L649-I658 HydrophobicContact CD2-CG1 3.91Å; V655-I658 HydrophobicContact CG1-CD1 4.33Å; V655-I658 PolarHBondContact O-N 3.41Å; I658-P668 WeakPolarHBondContact O-CD 3.48Å; I658-R687 HydrophobicContact CD1-CB 3.97Å; I658-A689 HydrophobicContact CG2-CB 3.57Å |
| 659 | D | 89.6 | Confident | 85.7 | Confident | 59 Ų | 59 | 49 Ų | 49 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -110.3 | 13.8 | -178.7 | -72.6 | -24.4 | 0 | 0 | 0 | 112.4 | A661 N690 M693 | D659-A661 PolarHBondContact O-N 3.26Å; D659-N690 PolarHBondContact OD1-N 2.92Å; D659-M693 HydrophobicContact CB-SD 3.75Å |
| 660 | A | 90.7 | Very high | 86 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | trans | -60.8 | 133.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | H634 L657 P668 | H634-A660 PolarHBondContact CE1-O 3.21Å; H634-A660 PolarHBondContact NE2-O 3.35Å; L657-A660 HydrophobicContact CD2-CB 4.42Å; A660-P668 VanDerWaalsContact O-CD 3.24Å; A660-P668 WeakPolarHBondContact O-CD 3.44Å | ||
| 661 | A | 90.9 | Very high | 86.5 | Confident | 56 Ų | 56 | 45.1 Ų | 45.1 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | trans | -102.3 | 136.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D659 | D659-A661 PolarHBondContact O-N 3.26Š| ||
| 662 | D | 92.5 | Very high | 87.3 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | trans | -74.4 | -178.1 | 170.2 | 83.5 | -3.4 | 0 | 0 | 0 | 112 | R630 Q664 G665 Q666 | R630-D662 HydrophobicContact CG-CB 3.83Å; R630-D662 IonicContact CZ-OD2 3.09Å; R630-D662 IonicContact NE-OD2 3.86Å; R630-D662 PolarHBondContact NE-OD2 3.03Å; R630-D662 VanDerWaalsContact NE-OD2 3.12Å; R630-D662 IonicContact NH2-OD2 3.07Å; D662-Q664 PolarHBondContact O-N 2.72Å; D662-Q664 VanDerWaalsContact O-N 3.08Å; D662-Q664 WeakPolarHBondContact OD1-CA 3.32Å; D662-Q664 WeakPolarHBondContact OD1-CB 3.45Å; D662-Q664 PolarHBondContact OD1-N 3.44Å; D662-G665 PolarHBondContact O-N 2.68Å; D662-G665 PolarHBondContact OD1-N 3.11Å; D662-Q666 PolarHBondContact N-O 3.38Å; D662-Q666 WeakPolarHBondContact OD1-CB 3.33Å; D662-Q666 PolarHBondContact OD1-N 2.82Å | ||
| 663 | S | 91.5 | Very high | 88.8 | Confident | 69 Ų | 69 | 36.1 Ų | 36.1 | 48% | 0.483 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -20 | 179.9 | 63 | 0 | 0 | 0 | 0 | 114.7 | Y628 | Y628-S663 VanDerWaalsContact C-OG 3.28Å; Y628-S663 WeakPolarHBondContact CA-OG 3.33Å; Y628-S663 WeakPolarHBondContact O-CB 3.32Å; Y628-S663 PolarHBondContact O-N 2.81Å; Y628-S663 PolarHBondContact O-OG 2.68Å |
| 664 | Q | 90 | Very high | 90.1 | Very high | 86 Ų | 86 | 33.3 Ų | 33.3 | 40% | 0.402 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 3 | 176.2 | -59.9 | -55.5 | -54.6 | 0 | 0 | 112.3 | D662 Q666 S696 | D662-Q664 PolarHBondContact O-N 2.72Å; D662-Q664 VanDerWaalsContact O-N 3.08Å; D662-Q664 WeakPolarHBondContact OD1-CA 3.32Å; D662-Q664 WeakPolarHBondContact OD1-CB 3.45Å; D662-Q664 PolarHBondContact OD1-N 3.44Å; Q664-Q666 VanDerWaalsContact C-N 3.31Å; Q664-Q666 HydrophobicContact CB-CG 4.13Å; Q664-S696 WeakPolarHBondContact O-CB 3.06Å; Q664-S696 PolarHBondContact O-N 3.32Å; Q664-S696 PolarHBondContact O-OG 3.46Å |
| 665 | G | 91.3 | Very high | 91.1 | Very high | 19 Ų | 19 | 35 Ų | 35 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 79.4 | 11.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D662 D695 | D662-G665 PolarHBondContact O-N 2.68Å; D662-G665 PolarHBondContact OD1-N 3.11Å; G665-D695 WeakPolarHBondContact O-CA 3.12Å |
| 666 | Q | 93.6 | Very high | 92 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 17% | 0.173 | 20% | 0.195 | C | C | . | . | trans | -83.1 | 127.8 | -176.9 | -60.7 | -172.6 | -42.6 | 0 | 0 | 110.6 | H634 D662 Q664 M670 L671 D695 | H634-Q666 PolarHBondContact NE2-O 2.82Å; D662-Q666 PolarHBondContact N-O 3.38Å; D662-Q666 WeakPolarHBondContact OD1-CB 3.33Å; D662-Q666 PolarHBondContact OD1-N 2.82Å; Q664-Q666 VanDerWaalsContact C-N 3.31Å; Q664-Q666 HydrophobicContact CB-CG 4.13Å; Q666-M670 HydrophobicContact CB-SD 4.42Å; Q666-L671 HydrophobicContact CB-CD2 4.25Å; Q666-L671 HydrophobicContact CB-CG 4.37Å; Q666-L671 VanDerWaalsContact OE1-CD2 3.27Å; Q666-D695 HydrophobicContact CG-CB 4.18Å | ||
| 667 | T | 95 | Very high | 92.7 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | trans | -83.8 | 163.3 | 173.1 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | L669 M670 L671 M693 | T667-L669 PolarHBondContact O-N 2.96Å; T667-M670 HydrophobicContact CG2-CE 4.42Å; T667-M670 WeakPolarHBondContact O-CB 3.31Å; T667-M670 PolarHBondContact O-N 3.01Å; T667-M670 VanDerWaalsContact O-N 3.11Å; T667-M670 WeakPolarHBondContact OG1-CG 3.31Å; T667-M670 PolarHBondContact OG1-N 3.11Å; T667-L671 PolarHBondContact O-N 3.37Å; T667-L671 VanDerWaalsContact O-N 3.13Å; T667-M693 HydrophobicContact CG2-CB 4.18Å; T667-M693 HydrophobicContact CG2-CE 3.37Å; T667-M693 HydrophobicContact CG2-SD 3.82Å | ||
| 668 | P | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -51.8 | -43 | 170.1 | -28.2 | 34.6 | 0 | 0 | 0 | 112.3 | V633 V637 L657 I658 A660 M670 L671 A672 L684 | V633-P668 HydrophobicContact CG1-CB 4Å; V633-P668 HydrophobicContact CG1-CG 3.91Å; V637-P668 WeakPolarHBondContact CG1-O 3.22Å; V637-P668 HydrophobicContact CG2-CB 4.22Å; L657-P668 WeakPolarHBondContact O-CG 3.31Å; I658-P668 WeakPolarHBondContact O-CD 3.48Å; A660-P668 VanDerWaalsContact O-CD 3.24Å; A660-P668 WeakPolarHBondContact O-CD 3.44Å; P668-M670 VanDerWaalsContact C-N 3.33Å; P668-M670 PolarHBondContact O-N 3.41Å; P668-L671 PolarHBondContact O-N 2.86Å; P668-L671 VanDerWaalsContact O-N 3.16Å; P668-A672 PolarHBondContact O-N 3.13Å; P668-L684 HydrophobicContact CB-CD1 4.06Å; P668-L684 HydrophobicContact CB-CD2 4.28Å |
| 669 | L | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 178.2 | -178.3 | 63.8 | 0 | 0 | 0 | 112 | T667 L671 A672 V673 V681 L684 L685 A689 V691 A701 L717 | T667-L669 PolarHBondContact O-N 2.96Å; L669-L671 PolarHBondContact O-N 3.48Å; L669-A672 WeakPolarHBondContact O-CB 3.48Å; L669-A672 PolarHBondContact O-N 2.93Å; L669-V673 HydrophobicContact CD1-CG2 4.35Å; L669-V673 VanDerWaalsContact O-CG2 3.26Å; L669-V673 WeakPolarHBondContact O-CG2 3.25Å; L669-V673 PolarHBondContact O-N 3.41Å; L669-V681 HydrophobicContact CD1-CG1 4.05Å; L669-L684 HydrophobicContact CB-CD1 4.36Å; L669-L684 HydrophobicContact CD1-CB 4.3Å; L669-L685 HydrophobicContact CD1-CD2 4.12Å; L669-L685 HydrophobicContact CD1-CG 4.3Å; L669-L685 HydrophobicContact CD2-CD2 4.04Å; L669-A689 HydrophobicContact CD2-CB 4.27Å; L669-V691 HydrophobicContact CD2-CG1 4.08Å; L669-A701 HydrophobicContact CD2-CB 4.17Å; L669-A701 HydrophobicContact CG-CB 4.09Å; L669-L717 HydrophobicContact CD1-CD2 4.35Å; L669-L717 HydrophobicContact CD2-CD2 4.12Å; L669-L717 HydrophobicContact CG-CD2 4.45Å |
| 670 | M | 95.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.3 | -71.8 | 174.3 | -173.6 | 0 | 0 | 112.4 | Q666 T667 P668 A674 M693 D695 L699 A701 L704 | Q666-M670 HydrophobicContact CB-SD 4.42Å; T667-M670 HydrophobicContact CG2-CE 4.42Å; T667-M670 WeakPolarHBondContact O-CB 3.31Å; T667-M670 PolarHBondContact O-N 3.01Å; T667-M670 VanDerWaalsContact O-N 3.11Å; T667-M670 WeakPolarHBondContact OG1-CG 3.31Å; T667-M670 PolarHBondContact OG1-N 3.11Å; P668-M670 VanDerWaalsContact C-N 3.33Å; P668-M670 PolarHBondContact O-N 3.41Å; M670-A674 WeakPolarHBondContact O-CB 3.44Å; M670-A674 PolarHBondContact O-N 3.08Å; M670-M693 HydrophobicContact CE-CB 4.09Å; M670-M693 WeakPolarHBondContact CE-O 3.48Å; M670-D695 HydrophobicContact SD-CB 4.03Å; M670-L699 WeakPolarHBondContact CE-O 3.49Å; M670-A701 HydrophobicContact CG-CB 4.39Å; M670-L704 HydrophobicContact CB-CD1 3.59Å; M670-L704 HydrophobicContact CG-CD1 3.91Å; M670-L704 HydrophobicContact SD-CD1 4.48Å |
| 671 | L | 94.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 27.9 Ų | 27.9 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.2 | -36.6 | 177.2 | -65.2 | -179.8 | 0 | 0 | 0 | 112 | H634 V637 Q666 T667 P668 L669 A674 G675 | H634-L671 HydrophobicContact CB-CD1 3.85Å; V637-L671 HydrophobicContact CG1-CB 4.42Å; Q666-L671 HydrophobicContact CB-CD2 4.25Å; Q666-L671 HydrophobicContact CB-CG 4.37Å; Q666-L671 VanDerWaalsContact OE1-CD2 3.27Å; T667-L671 PolarHBondContact O-N 3.37Å; T667-L671 VanDerWaalsContact O-N 3.13Å; P668-L671 PolarHBondContact O-N 2.86Å; P668-L671 VanDerWaalsContact O-N 3.16Å; L669-L671 PolarHBondContact O-N 3.48Å; L671-A674 PolarHBondContact O-N 2.93Å; L671-G675 PolarHBondContact O-N 3.47Å |
| 672 | A | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V637 P668 L669 G675 G676 H677 A680 V681 L684 | V637-A672 HydrophobicContact CG1-CB 3.28Å; V637-A672 VanDerWaalsContact CG1-N 3.33Å; P668-A672 PolarHBondContact O-N 3.13Å; L669-A672 WeakPolarHBondContact O-CB 3.48Å; L669-A672 PolarHBondContact O-N 2.93Å; A672-G675 PolarHBondContact O-N 3.28Å; A672-G676 PolarHBondContact O-N 3.37Å; A672-H677 PolarHBondContact O-N 3.02Å; A672-A680 HydrophobicContact CB-CB 4.44Å; A672-V681 HydrophobicContact CB-CG2 3.55Å; A672-L684 HydrophobicContact CB-CD1 4.17Å |
| 673 | V | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.7 | -41.8 | -179.2 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | L669 G675 G676 V681 A701 Q710 C713 L717 | L669-V673 HydrophobicContact CD1-CG2 4.35Å; L669-V673 VanDerWaalsContact O-CG2 3.26Å; L669-V673 WeakPolarHBondContact O-CG2 3.25Å; L669-V673 PolarHBondContact O-N 3.41Å; V673-G675 PolarHBondContact O-N 3.31Å; V673-G676 PolarHBondContact O-N 2.94Å; V673-G676 VanDerWaalsContact O-N 3.15Å; V673-V681 HydrophobicContact CG2-CG1 4.39Å; V673-V681 HydrophobicContact CG2-CG2 3.64Å; V673-A701 WeakPolarHBondContact CG1-O 3.46Å; V673-A701 HydrophobicContact CG2-CB 4.31Å; V673-Q710 WeakPolarHBondContact O-CG 3.27Å; V673-C713 HydrophobicContact CG1-CB 4.1Å; V673-C713 HydrophobicContact CG2-CB 4.3Å; V673-L717 HydrophobicContact CG1-CD1 4.25Å; V673-L717 HydrophobicContact CG2-CD1 4Å; V673-L717 HydrophobicContact CG2-CG 4.49Å |
| 674 | A | 94.2 | Very high | 94.2 | Very high | 35 Ų | 35 | 23.6 Ų | 23.6 | 29% | 0.289 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.7 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M670 L671 | M670-A674 WeakPolarHBondContact O-CB 3.44Å; M670-A674 PolarHBondContact O-N 3.08Å; L671-A674 PolarHBondContact O-N 2.93Å |
| 675 | G | 91.1 | Very high | 94.3 | Very high | 35 Ų | 35 | 20.2 Ų | 20.2 | 36% | 0.361 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -79.6 | -13.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L671 A672 V673 | L671-G675 PolarHBondContact O-N 3.47Å; A672-G675 PolarHBondContact O-N 3.28Å; V673-G675 PolarHBondContact O-N 3.31Å |
| 676 | G | 94.6 | Very high | 94.3 | Very high | 20 Ų | 20 | 26.4 Ų | 26.4 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 25.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A672 V673 V678 Q710 | A672-G676 PolarHBondContact O-N 3.37Å; V673-G676 PolarHBondContact O-N 2.94Å; V673-G676 VanDerWaalsContact O-N 3.15Å; G676-V678 PolarHBondContact O-N 3.43Å; G676-Q710 VanDerWaalsContact CA-CD 3.4Å |
| 677 | H | 95.8 | Very high | 94.1 | Very high | 50 Ų | 50 | 28.9 Ų | 28.9 | 23% | 0.231 | 16% | 0.163 | C | C | . | . | trans | -90.5 | 78.8 | -173.9 | -57.7 | -57.4 | 0 | 0 | 0 | 111.3 | V637 M638 G640 A672 D679 A680 V681 | V637-H677 PolarHBondContact O-CD2 3.44Å; M638-H677 PolarHBondContact O-NE2 3.44Å; G640-H677 VanDerWaalsContact CA-ND1 3.33Å; G640-H677 WeakPolarHBondContact CA-ND1 3.17Å; G640-H677 PolarHBondContact N-CD2 2.83Å; G640-H677 PolarHBondContact N-NE2 3.18Å; A672-H677 PolarHBondContact O-N 3.02Å; H677-D679 PolarHBondContact O-N 3.45Å; H677-A680 HydrophobicContact CB-CB 4.01Å; H677-A680 WeakPolarHBondContact O-CB 3.37Å; H677-A680 PolarHBondContact O-N 3.1Å; H677-V681 WeakPolarHBondContact O-CG2 3.49Å; H677-V681 PolarHBondContact O-N 3.12Å | ||
| 678 | V | 94.7 | Very high | 93.8 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.5 | -45.9 | -173 | -175.8 | 0 | 0 | 0 | 0 | 112.8 | G676 A680 V681 S682 E712 | G676-V678 PolarHBondContact O-N 3.43Å; V678-A680 VanDerWaalsContact C-N 3.27Å; V678-A680 PolarHBondContact O-N 2.68Å; V678-V681 WeakPolarHBondContact O-CB 3.35Å; V678-V681 PolarHBondContact O-N 3.26Å; V678-V681 VanDerWaalsContact O-N 3.11Å; V678-S682 PolarHBondContact O-N 3.05Å; V678-S682 PolarHBondContact O-OG 2.89Å; V678-E712 HydrophobicContact CG1-CB 4.32Å; V678-E712 HydrophobicContact CG2-CB 3.63Å |
| 679 | D | 94.1 | Very high | 93.7 | Very high | 122 Ų | 122 | 37.7 Ų | 37.7 | 65% | 0.652 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -61.6 | -35.3 | 179 | -66.8 | -26 | 0 | 0 | 0 | 112.8 | T642 H677 L683 | T642-D679 HydrophobicContact CG2-CB 4.06Å; H677-D679 PolarHBondContact O-N 3.45Å; D679-L683 WeakPolarHBondContact O-CB 3.29Å; D679-L683 PolarHBondContact O-N 3.26Å; D679-L683 VanDerWaalsContact O-N 3.08Å |
| 680 | A | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -74.4 | -36.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A672 H677 V678 L683 L684 | A672-A680 HydrophobicContact CB-CB 4.44Å; H677-A680 HydrophobicContact CB-CB 4.01Å; H677-A680 WeakPolarHBondContact O-CB 3.37Å; H677-A680 PolarHBondContact O-N 3.1Å; V678-A680 VanDerWaalsContact C-N 3.27Å; V678-A680 PolarHBondContact O-N 2.68Å; A680-L683 PolarHBondContact O-N 2.94Å; A680-L684 WeakPolarHBondContact O-CB 3.16Å; A680-L684 WeakPolarHBondContact O-CD1 3.26Å; A680-L684 VanDerWaalsContact O-CG 3.24Å; A680-L684 WeakPolarHBondContact O-CG 3.4Å; A680-L684 PolarHBondContact O-N 3.11Å |
| 681 | V | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -52.7 | 172 | 172.4 | 0 | 0 | 0 | 0 | 110 | L669 A672 V673 H677 V678 L683 L684 L685 C713 C716 | L669-V681 HydrophobicContact CD1-CG1 4.05Å; A672-V681 HydrophobicContact CB-CG2 3.55Å; V673-V681 HydrophobicContact CG2-CG1 4.39Å; V673-V681 HydrophobicContact CG2-CG2 3.64Å; H677-V681 WeakPolarHBondContact O-CG2 3.49Å; H677-V681 PolarHBondContact O-N 3.12Å; V678-V681 WeakPolarHBondContact O-CB 3.35Å; V678-V681 PolarHBondContact O-N 3.26Å; V678-V681 VanDerWaalsContact O-N 3.11Å; V681-L683 VanDerWaalsContact C-N 3.32Å; V681-L683 PolarHBondContact O-N 3.08Å; V681-L684 PolarHBondContact O-N 2.91Å; V681-L684 VanDerWaalsContact O-N 3.14Å; V681-L685 HydrophobicContact CG1-CD1 3.69Å; V681-L685 HydrophobicContact CG1-CG 4.25Å; V681-L685 VanDerWaalsContact O-CG 3.28Å; V681-L685 WeakPolarHBondContact O-CG 3.44Å; V681-L685 PolarHBondContact O-N 2.9Å; V681-C713 HydrophobicContact CG2-CB 4.48Å; V681-C716 HydrophobicContact CG1-CB 4.12Å |
| 682 | S | 94.4 | Very high | 93.2 | Very high | 38 Ų | 38 | 44 Ų | 44 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.3 | -44.9 | 178.5 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | V678 L684 L685 E686 | V678-S682 PolarHBondContact O-N 3.05Å; V678-S682 PolarHBondContact O-OG 2.89Å; S682-L684 VanDerWaalsContact C-N 3.35Å; S682-L684 PolarHBondContact O-N 3.4Å; S682-L685 PolarHBondContact O-N 2.99Å; S682-E686 WeakPolarHBondContact O-CB 3.38Å; S682-E686 VanDerWaalsContact O-CG 3.3Å; S682-E686 WeakPolarHBondContact O-CG 3.43Å; S682-E686 PolarHBondContact O-N 3.32Å |
| 683 | L | 93.3 | Very high | 93 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.4 | -179.1 | 68.1 | 0 | 0 | 0 | 112.7 | T642 V645 R646 D679 A680 V681 R687 | T642-L683 HydrophobicContact CG2-CB 4.35Å; T642-L683 HydrophobicContact CG2-CD2 3.88Å; V645-L683 HydrophobicContact CB-CD2 4.07Å; V645-L683 HydrophobicContact CG1-CD2 3.87Å; R646-L683 HydrophobicContact CB-CD2 3.94Å; D679-L683 WeakPolarHBondContact O-CB 3.29Å; D679-L683 PolarHBondContact O-N 3.26Å; D679-L683 VanDerWaalsContact O-N 3.08Å; A680-L683 PolarHBondContact O-N 2.94Å; V681-L683 VanDerWaalsContact C-N 3.32Å; V681-L683 PolarHBondContact O-N 3.08Å; L683-R687 VanDerWaalsContact O-CG 3.31Å; L683-R687 WeakPolarHBondContact O-CG 3.43Å; L683-R687 PolarHBondContact O-N 3.23Å |
| 684 | L | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.9 | -39.3 | 178.2 | -71.9 | 167.5 | 0 | 0 | 0 | 111.4 | V637 V645 L649 P668 L669 A672 A680 V681 S682 R687 E688 A689 | V637-L684 HydrophobicContact CG1-CD1 4.37Å; V637-L684 HydrophobicContact CG2-CD1 4.21Å; V645-L684 HydrophobicContact CG1-CD2 4.45Å; L649-L684 HydrophobicContact CD1-CD2 3.87Å; P668-L684 HydrophobicContact CB-CD1 4.06Å; P668-L684 HydrophobicContact CB-CD2 4.28Å; L669-L684 HydrophobicContact CB-CD1 4.36Å; L669-L684 HydrophobicContact CD1-CB 4.3Å; A672-L684 HydrophobicContact CB-CD1 4.17Å; A680-L684 WeakPolarHBondContact O-CB 3.16Å; A680-L684 WeakPolarHBondContact O-CD1 3.26Å; A680-L684 VanDerWaalsContact O-CG 3.24Å; A680-L684 WeakPolarHBondContact O-CG 3.4Å; A680-L684 PolarHBondContact O-N 3.11Å; V681-L684 PolarHBondContact O-N 2.91Å; V681-L684 VanDerWaalsContact O-N 3.14Å; S682-L684 VanDerWaalsContact C-N 3.35Å; S682-L684 PolarHBondContact O-N 3.4Å; L684-R687 CarbonylContact O-C 3.54Å; L684-R687 PolarHBondContact O-N 3.08Å; L684-R687 VanDerWaalsContact O-N 3.14Å; L684-E688 PolarHBondContact O-N 3.17Å; L684-A689 HydrophobicContact CB-CB 4.13Å; L684-A689 WeakPolarHBondContact O-CB 3.29Å; L684-A689 PolarHBondContact O-N 3.29Å; L684-A689 VanDerWaalsContact O-N 3.14Å |
| 685 | L | 92.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 176.4 | -65.6 | 175.1 | 0 | 0 | 0 | 112.2 | L669 V681 S682 R687 E688 V691 C716 L717 Q720 | L669-L685 HydrophobicContact CD1-CD2 4.12Å; L669-L685 HydrophobicContact CD1-CG 4.3Å; L669-L685 HydrophobicContact CD2-CD2 4.04Å; V681-L685 HydrophobicContact CG1-CD1 3.69Å; V681-L685 HydrophobicContact CG1-CG 4.25Å; V681-L685 VanDerWaalsContact O-CG 3.28Å; V681-L685 WeakPolarHBondContact O-CG 3.44Å; V681-L685 PolarHBondContact O-N 2.9Å; S682-L685 PolarHBondContact O-N 2.99Å; L685-R687 PolarHBondContact O-N 3.32Å; L685-R687 VanDerWaalsContact O-N 3.16Å; L685-E688 PolarHBondContact O-N 2.93Å; L685-V691 HydrophobicContact CD2-CG1 3.4Å; L685-V691 VanDerWaalsContact CD2-CG1 3.4Å; L685-C716 HydrophobicContact CD1-CB 3.91Å; L685-L717 HydrophobicContact CD2-CD2 4.4Å; L685-Q720 HydrophobicContact CB-CG 4.19Å; L685-Q720 HydrophobicContact CD1-CG 3.96Å; L685-Q720 HydrophobicContact CD2-CB 4.45Å; L685-Q720 HydrophobicContact CD2-CG 4.15Å; L685-Q720 HydrophobicContact CG-CG 4.31Å |
| 686 | E | 90.8 | Very high | 92.8 | Very high | 149 Ų | 149 | 49.8 Ų | 49.8 | 70% | 0.696 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.1 | -24.9 | 170.7 | -78.2 | 175.4 | -172.8 | 0 | 0 | 112.6 | S682 | S682-E686 WeakPolarHBondContact O-CB 3.38Å; S682-E686 VanDerWaalsContact O-CG 3.3Å; S682-E686 WeakPolarHBondContact O-CG 3.43Å; S682-E686 PolarHBondContact O-N 3.32Å |
| 687 | R | 89.3 | Confident | 92.6 | Very high | 88 Ų | 88 | 53.6 Ų | 53.6 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 18.9 | 177.2 | -63.1 | -71.3 | 175.4 | 107.6 | 2.6 | 113 | L649 D650 I658 L683 L684 L685 A689 | L649-R687 PolarHBondContact O-NH1 3.08Å; D650-R687 IonicContact OD1-CZ 3.68Å; D650-R687 VanDerWaalsContact OD1-CZ 3.28Å; D650-R687 IonicContact OD1-NH1 3.29Å; D650-R687 PolarHBondContact OD1-NH1 2.9Å; D650-R687 IonicContact OD1-NH2 3.86Å; D650-R687 PolarHBondContact OD1-NH2 2.97Å; I658-R687 HydrophobicContact CD1-CB 3.97Å; L683-R687 VanDerWaalsContact O-CG 3.31Å; L683-R687 WeakPolarHBondContact O-CG 3.43Å; L683-R687 PolarHBondContact O-N 3.23Å; L684-R687 CarbonylContact O-C 3.54Å; L684-R687 PolarHBondContact O-N 3.08Å; L684-R687 VanDerWaalsContact O-N 3.14Å; L685-R687 PolarHBondContact O-N 3.32Å; L685-R687 VanDerWaalsContact O-N 3.16Å; R687-A689 VanDerWaalsContact C-N 3.34Å; R687-A689 PolarHBondContact O-N 3.3Å |
| 688 | E | 89.9 | Confident | 92.3 | Very high | 179 Ų | 179 | 52 Ų | 52 | 84% | 0.836 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 32.2 | 176.1 | -54.4 | -178.1 | 174.8 | 0 | 0 | 114.3 | L684 L685 | L684-E688 PolarHBondContact O-N 3.17Å; L685-E688 PolarHBondContact O-N 2.93Å |
| 689 | A | 91.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | trans | -58.6 | 138.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I658 L669 L684 R687 V691 | I658-A689 HydrophobicContact CG2-CB 3.57Å; L669-A689 HydrophobicContact CD2-CB 4.27Å; L684-A689 HydrophobicContact CB-CB 4.13Å; L684-A689 WeakPolarHBondContact O-CB 3.29Å; L684-A689 PolarHBondContact O-N 3.29Å; L684-A689 VanDerWaalsContact O-N 3.14Å; R687-A689 VanDerWaalsContact C-N 3.34Å; R687-A689 PolarHBondContact O-N 3.3Å; A689-V691 PolarHBondContact O-N 3.04Å; A689-V691 VanDerWaalsContact O-N 3.13Å | ||
| 690 | N | 91.8 | Very high | 92.3 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | trans | -77.3 | 104.8 | -175.7 | -172.2 | -17.4 | 0 | 0 | 0 | 112.3 | D659 N692 M693 | D659-N690 PolarHBondContact OD1-N 2.92Å; N690-N692 PolarHBondContact O-N 3.02Å; N690-N692 PolarHBondContact OD1-N 3.26Å; N690-M693 HydrophobicContact CB-CG 3.91Å; N690-M693 HydrophobicContact CB-SD 4.11Å; N690-M693 PolarHBondContact O-N 3.28Å | ||
| 691 | V | 92.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21 | -179.4 | -61.8 | 0 | 0 | 0 | 0 | 114.7 | L669 L685 A689 L717 Q720 A722 | L669-V691 HydrophobicContact CD2-CG1 4.08Å; L685-V691 HydrophobicContact CD2-CG1 3.4Å; L685-V691 VanDerWaalsContact CD2-CG1 3.4Å; A689-V691 PolarHBondContact O-N 3.04Å; A689-V691 VanDerWaalsContact O-N 3.13Å; V691-L717 HydrophobicContact CB-CD2 4.38Å; V691-L717 HydrophobicContact CG1-CD2 3.99Å; V691-Q720 HydrophobicContact CG1-CB 4.19Å; V691-A722 HydrophobicContact CB-CB 4.16Å; V691-A722 HydrophobicContact CG2-CB 4.05Å |
| 692 | N | 92.1 | Very high | 92.3 | Very high | 61 Ų | 61 | 45.9 Ų | 45.9 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 2.8 | -172.4 | -68.3 | -45.6 | 0 | 0 | 0 | 113.6 | N690 S723 L726 | N690-N692 PolarHBondContact O-N 3.02Å; N690-N692 PolarHBondContact OD1-N 3.26Å; N692-S723 WeakPolarHBondContact OD1-CB 3.43Å; N692-S723 PolarHBondContact OD1-N 3.05Å; N692-L726 HydrophobicContact CB-CD1 3.93Å |
| 693 | M | 92.4 | Very high | 92.3 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | trans | -60.7 | 148.4 | 169.2 | -78 | -175.3 | 61.7 | 0 | 0 | 110.5 | D659 T667 M670 N690 T700 | D659-M693 HydrophobicContact CB-SD 3.75Å; T667-M693 HydrophobicContact CG2-CB 4.18Å; T667-M693 HydrophobicContact CG2-CE 3.37Å; T667-M693 HydrophobicContact CG2-SD 3.82Å; M670-M693 HydrophobicContact CE-CB 4.09Å; M670-M693 WeakPolarHBondContact CE-O 3.48Å; N690-M693 HydrophobicContact CB-CG 3.91Å; N690-M693 HydrophobicContact CB-SD 4.11Å; N690-M693 PolarHBondContact O-N 3.28Å; M693-T700 WeakPolarHBondContact O-CA 3.49Å | ||
| 694 | A | 92.4 | Very high | 92.3 | Very high | 52 Ų | 52 | 44.5 Ų | 44.5 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -125 | 141.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L699 T700 | A694-L699 WeakPolarHBondContact CA-O 3.5Å; A694-T700 HydrophobicContact CB-CG2 4.4Å |
| 695 | D | 93.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | trans | -74.1 | -177 | 175.7 | 77.9 | -3.4 | 0 | 0 | 0 | 112.1 | G665 Q666 M670 H697 G698 L699 | G665-D695 WeakPolarHBondContact O-CA 3.12Å; Q666-D695 HydrophobicContact CG-CB 4.18Å; M670-D695 HydrophobicContact SD-CB 4.03Å; D695-H697 PolarHBondContact O-N 3.49Å; D695-H697 VanDerWaalsContact OD1-CA 3.3Å; D695-H697 WeakPolarHBondContact OD1-CA 3.5Å; D695-H697 WeakPolarHBondContact OD1-CB 3.39Å; D695-H697 PolarHBondContact OD1-N 3.33Å; D695-H697 IonicContact OD2-ND1 2.66Å; D695-G698 PolarHBondContact O-N 3.15Å; D695-G698 PolarHBondContact OD1-N 3.4Å; D695-G698 VanDerWaalsContact OD1-N 3.08Å; D695-L699 PolarHBondContact N-O 3.35Å; D695-L699 WeakPolarHBondContact OD1-CB 3.5Å; D695-L699 PolarHBondContact OD1-N 2.96Å | ||
| 696 | S | 91.3 | Very high | 92.4 | Very high | 74 Ų | 74 | 43.8 Ų | 43.8 | 52% | 0.517 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.9 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 114.9 | Q664 | Q664-S696 WeakPolarHBondContact O-CB 3.06Å; Q664-S696 PolarHBondContact O-N 3.32Å; Q664-S696 PolarHBondContact O-OG 3.46Å |
| 697 | H | 89.4 | Confident | 92.4 | Very high | 100 Ų | 100 | 39.1 Ų | 39.1 | 46% | 0.463 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 2 | 176.7 | -59.5 | 86.7 | 0 | 0 | 0 | 112.8 | D695 L699 S729 | D695-H697 PolarHBondContact O-N 3.49Å; D695-H697 VanDerWaalsContact OD1-CA 3.3Å; D695-H697 WeakPolarHBondContact OD1-CA 3.5Å; D695-H697 WeakPolarHBondContact OD1-CB 3.39Å; D695-H697 PolarHBondContact OD1-N 3.33Å; D695-H697 IonicContact OD2-ND1 2.66Å; H697-L699 VanDerWaalsContact C-N 3.33Å; H697-L699 HydrophobicContact CB-CD1 4.25Å; H697-L699 HydrophobicContact CB-CG 4.16Å; H697-S729 WeakPolarHBondContact O-CB 3.48Å; H697-S729 PolarHBondContact O-N 3.5Å; H697-S729 PolarHBondContact O-OG 2.89Å |
| 698 | G | 90.4 | Very high | 92.5 | Very high | 17 Ų | 17 | 37.8 Ų | 37.8 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 78.5 | 13.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D695 D728 | D695-G698 PolarHBondContact O-N 3.15Å; D695-G698 PolarHBondContact OD1-N 3.4Å; D695-G698 VanDerWaalsContact OD1-N 3.08Å; G698-D728 WeakPolarHBondContact O-CA 3.4Å |
| 699 | L | 93.2 | Very high | 92.5 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 12% | 0.115 | 19% | 0.188 | C | C | . | . | trans | -83.4 | 126 | -179.6 | -59.7 | 172.1 | 0 | 0 | 0 | 110.2 | M670 A694 D695 H697 H703 L704 L707 D728 | M670-L699 WeakPolarHBondContact CE-O 3.49Å; A694-L699 WeakPolarHBondContact CA-O 3.5Å; D695-L699 PolarHBondContact N-O 3.35Å; D695-L699 WeakPolarHBondContact OD1-CB 3.5Å; D695-L699 PolarHBondContact OD1-N 2.96Å; H697-L699 VanDerWaalsContact C-N 3.33Å; H697-L699 HydrophobicContact CB-CD1 4.25Å; H697-L699 HydrophobicContact CB-CG 4.16Å; L699-H703 HydrophobicContact CB-CB 4.15Å; L699-H703 HydrophobicContact CD2-CB 3.85Å; L699-L704 HydrophobicContact CB-CD2 4.28Å; L699-L704 HydrophobicContact CB-CG 4.32Å; L699-L704 HydrophobicContact CD1-CD2 3.97Å; L699-L707 HydrophobicContact CD1-CD1 4.26Å; L699-L707 HydrophobicContact CD2-CD1 4.19Å; L699-D728 HydrophobicContact CD2-CB 3.83Å | ||
| 700 | T | 95.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -86.8 | 170.9 | 171.7 | 64 | 0 | 0 | 0 | 0 | 110.4 | M693 A694 L702 H703 L704 L726 | M693-T700 WeakPolarHBondContact O-CA 3.49Å; A694-T700 HydrophobicContact CB-CG2 4.4Å; T700-L702 PolarHBondContact O-N 3.09Å; T700-H703 PolarHBondContact N-ND1 3.29Å; T700-H703 WeakPolarHBondContact O-CB 3.21Å; T700-H703 PolarHBondContact O-N 2.9Å; T700-H703 VanDerWaalsContact O-N 3.11Å; T700-H703 PolarHBondContact OG1-N 3.19Å; T700-H703 PolarHBondContact OG1-ND1 3Å; T700-L704 PolarHBondContact O-N 2.96Å; T700-L704 VanDerWaalsContact O-N 3.07Å; T700-L726 HydrophobicContact CG2-CB 4.42Å; T700-L726 HydrophobicContact CG2-CD1 4.07Å |
| 701 | A | 94.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.5 | -39.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L669 M670 V673 L704 G705 L717 | L669-A701 HydrophobicContact CD2-CB 4.17Å; L669-A701 HydrophobicContact CG-CB 4.09Å; M670-A701 HydrophobicContact CG-CB 4.39Å; V673-A701 WeakPolarHBondContact CG1-O 3.46Å; V673-A701 HydrophobicContact CG2-CB 4.31Å; A701-L704 PolarHBondContact O-N 2.98Å; A701-G705 PolarHBondContact O-N 3.08Å; A701-L717 HydrophobicContact CB-CD1 3.97Å; A701-L717 HydrophobicContact CB-CD2 3.91Å |
| 702 | L | 94.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 176.9 | -176.3 | 62.1 | 0 | 0 | 0 | 112.3 | T700 L704 G705 L706 I714 L717 L718 A722 V724 A734 L750 | T700-L702 PolarHBondContact O-N 3.09Å; L702-L704 VanDerWaalsContact C-N 3.34Å; L702-L704 PolarHBondContact O-N 3.03Å; L702-G705 PolarHBondContact O-N 2.59Å; L702-L706 HydrophobicContact CD1-CD1 4.4Å; L702-L706 HydrophobicContact CG-CD1 4.25Å; L702-L706 WeakPolarHBondContact O-CG 3.44Å; L702-L706 PolarHBondContact O-N 2.89Å; L702-L706 VanDerWaalsContact O-N 3.09Å; L702-I714 HydrophobicContact CD1-CG2 3.95Å; L702-L717 HydrophobicContact CB-CD1 4.38Å; L702-L718 HydrophobicContact CD1-CD2 4.18Å; L702-L718 HydrophobicContact CD1-CG 4.4Å; L702-L718 HydrophobicContact CD2-CD2 4.11Å; L702-A722 HydrophobicContact CD2-CB 4.42Å; L702-V724 HydrophobicContact CD2-CG1 4.17Å; L702-A734 HydrophobicContact CD2-CB 3.78Å; L702-A734 HydrophobicContact CG-CB 4.09Å; L702-L750 HydrophobicContact CD2-CD2 4.4Å |
| 703 | H | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 174.7 | -67.9 | 153.8 | 0 | 0 | 0 | 111.9 | L699 T700 L706 L707 L726 A734 L737 | L699-H703 HydrophobicContact CB-CB 4.15Å; L699-H703 HydrophobicContact CD2-CB 3.85Å; T700-H703 PolarHBondContact N-ND1 3.29Å; T700-H703 WeakPolarHBondContact O-CB 3.21Å; T700-H703 PolarHBondContact O-N 2.9Å; T700-H703 VanDerWaalsContact O-N 3.11Å; T700-H703 PolarHBondContact OG1-N 3.19Å; T700-H703 PolarHBondContact OG1-ND1 3Å; H703-L706 PolarHBondContact O-N 3.48Å; H703-L707 WeakPolarHBondContact O-CB 3.46Å; H703-L707 VanDerWaalsContact O-CG 3.28Å; H703-L707 WeakPolarHBondContact O-CG 3.32Å; H703-L707 PolarHBondContact O-N 2.71Å; H703-L726 PolarHBondContact CE1-O 3.35Å; H703-L726 PolarHBondContact NE2-O 3.23Å; H703-L726 VanDerWaalsContact NE2-O 3.1Å; H703-A734 PolarHBondContact CD2-N 2.84Å; H703-A734 PolarHBondContact NE2-N 3.46Å; H703-A734 VanDerWaalsContact NE2-N 3.15Å; H703-L737 HydrophobicContact CB-CD1 3.68Å |
| 704 | L | 93.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.3 | -40.1 | 178.3 | -66.3 | 172.8 | 0 | 0 | 0 | 112 | M670 L699 T700 A701 L702 L706 L707 C708 | M670-L704 HydrophobicContact CB-CD1 3.59Å; M670-L704 HydrophobicContact CG-CD1 3.91Å; M670-L704 HydrophobicContact SD-CD1 4.48Å; L699-L704 HydrophobicContact CB-CD2 4.28Å; L699-L704 HydrophobicContact CB-CG 4.32Å; L699-L704 HydrophobicContact CD1-CD2 3.97Å; T700-L704 PolarHBondContact O-N 2.96Å; T700-L704 VanDerWaalsContact O-N 3.07Å; A701-L704 PolarHBondContact O-N 2.98Å; L702-L704 VanDerWaalsContact C-N 3.34Å; L702-L704 PolarHBondContact O-N 3.03Å; L704-L706 VanDerWaalsContact C-N 3.34Å; L704-L706 PolarHBondContact O-N 2.93Å; L704-L707 PolarHBondContact O-N 3.1Å; L704-C708 WeakPolarHBondContact O-CB 3.4Å; L704-C708 PolarHBondContact O-N 3.15Å; L704-C708 PolarHBondContact O-SG 2.96Å |
| 705 | G | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A701 L702 C708 G709 Q710 | A701-G705 PolarHBondContact O-N 3.08Å; L702-G705 PolarHBondContact O-N 2.59Å; G705-C708 PolarHBondContact O-N 2.71Å; G705-G709 WeakPolarHBondContact O-CA 3.45Å; G705-G709 PolarHBondContact O-N 3.43Å; G705-Q710 PolarHBondContact O-N 3.33Å |
| 706 | L | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.9 | -39.5 | 176.5 | -71.2 | 164.3 | 0 | 0 | 0 | 112.6 | L702 H703 L704 C708 G709 I714 A734 L737 A738 H743 W746 L750 | L702-L706 HydrophobicContact CD1-CD1 4.4Å; L702-L706 HydrophobicContact CG-CD1 4.25Å; L702-L706 WeakPolarHBondContact O-CG 3.44Å; L702-L706 PolarHBondContact O-N 2.89Å; L702-L706 VanDerWaalsContact O-N 3.09Å; H703-L706 PolarHBondContact O-N 3.48Å; L704-L706 VanDerWaalsContact C-N 3.34Å; L704-L706 PolarHBondContact O-N 2.93Å; L706-C708 VanDerWaalsContact C-N 3.34Å; L706-G709 PolarHBondContact O-N 3.21Å; L706-I714 HydrophobicContact CD2-CD1 3.75Å; L706-I714 HydrophobicContact CD2-CG1 4.48Å; L706-I714 HydrophobicContact CG-CD1 4.08Å; L706-I714 HydrophobicContact CG-CG1 4.43Å; L706-A734 HydrophobicContact CD1-CB 3.59Å; L706-A734 WeakPolarHBondContact CD1-O 3.45Å; L706-L737 HydrophobicContact CB-CB 4.35Å; L706-A738 HydrophobicContact CD2-CB 3.99Å; L706-H743 PolarHBondContact O-CD2 3.25Å; L706-H743 PolarHBondContact O-NE2 3.43Å; L706-W746 HydrophobicContact CD2-CB 4.46Å; L706-L750 HydrophobicContact CD1-CD1 4.04Å; L706-L750 HydrophobicContact CD2-CD1 4.28Å |
| 707 | L | 92 | Very high | 92.8 | Very high | 52 Ų | 52 | 34 Ų | 34 | 27% | 0.272 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.9 | -30.2 | 175.9 | -78.4 | 171.7 | 0 | 0 | 0 | 113.2 | L699 H703 L704 L737 R741 | L699-L707 HydrophobicContact CD1-CD1 4.26Å; L699-L707 HydrophobicContact CD2-CD1 4.19Å; H703-L707 WeakPolarHBondContact O-CB 3.46Å; H703-L707 VanDerWaalsContact O-CG 3.28Å; H703-L707 WeakPolarHBondContact O-CG 3.32Å; H703-L707 PolarHBondContact O-N 2.71Å; L704-L707 PolarHBondContact O-N 3.1Å; L707-L737 HydrophobicContact CD1-CD1 4.26Å; L707-L737 HydrophobicContact CD2-CD2 4.08Å; L707-L737 HydrophobicContact CG-CD1 4.11Å; L707-L737 HydrophobicContact CG-CD2 4.48Å; L707-R741 PolarHBondContact O-NE 3.18Å; L707-R741 VanDerWaalsContact O-NE 3.14Å; L707-R741 PolarHBondContact O-NH2 2.91Å |
| 708 | C | 90.6 | Very high | 92.9 | Very high | 60 Ų | 60 | 30.2 Ų | 30.2 | 41% | 0.405 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -92.3 | -19.2 | 177.1 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | L704 G705 L706 Q710 | L704-C708 WeakPolarHBondContact O-CB 3.4Å; L704-C708 PolarHBondContact O-N 3.15Å; L704-C708 PolarHBondContact O-SG 2.96Å; G705-C708 PolarHBondContact O-N 2.71Å; L706-C708 VanDerWaalsContact C-N 3.34Å; C708-Q710 HydrophobicContact CB-CG 3.8Å |
| 709 | G | 90.4 | Very high | 92.9 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 35.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G705 L706 E711 | G705-G709 WeakPolarHBondContact O-CA 3.45Å; G705-G709 PolarHBondContact O-N 3.43Å; L706-G709 PolarHBondContact O-N 3.21Å; G709-E711 PolarHBondContact O-N 2.95Å |
| 710 | Q | 92.4 | Very high | 92.7 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 29% | 0.29 | 20% | 0.202 | S | C | . | . | trans | -94.9 | 82.3 | -175.3 | -56.7 | -67 | 2.9 | 0 | 0 | 110.8 | V673 G676 G705 C708 E712 C713 I714 | V673-Q710 WeakPolarHBondContact O-CG 3.27Å; G676-Q710 VanDerWaalsContact CA-CD 3.4Å; G705-Q710 PolarHBondContact O-N 3.33Å; C708-Q710 HydrophobicContact CB-CG 3.8Å; Q710-E712 PolarHBondContact O-N 3.17Å; Q710-C713 HydrophobicContact CB-CB 4Å; Q710-C713 PolarHBondContact O-N 3.19Å; Q710-I714 WeakPolarHBondContact O-CD1 3.35Å; Q710-I714 VanDerWaalsContact O-CG1 3.3Å; Q710-I714 WeakPolarHBondContact O-CG1 2.98Å; Q710-I714 PolarHBondContact O-N 3.15Å | ||
| 711 | E | 90.7 | Very high | 92.4 | Very high | 110 Ų | 110 | 47.3 Ų | 47.3 | 51% | 0.514 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.9 | -48.5 | -170.4 | -59 | -172.9 | 165.5 | 0 | 0 | 113.5 | G709 C713 I714 Q715 W746 | G709-E711 PolarHBondContact O-N 2.95Å; E711-C713 VanDerWaalsContact C-N 3.34Å; E711-C713 PolarHBondContact O-N 3.36Å; E711-I714 WeakPolarHBondContact O-CB 3.48Å; E711-I714 PolarHBondContact O-N 3.28Å; E711-Q715 PolarHBondContact O-N 2.97Å; E711-W746 HydrophobicContact CB-CZ2 4.09Å; E711-W746 WeakPolarHBondContact O-CZ2 3.25Å |
| 712 | E | 92.1 | Very high | 92.1 | Very high | 130 Ų | 130 | 47.4 Ų | 47.4 | 61% | 0.607 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.4 | -38.3 | -179.7 | -65.9 | -179.2 | -169.3 | 0 | 0 | 111.9 | V678 Q710 Q715 C716 | V678-E712 HydrophobicContact CG1-CB 4.32Å; V678-E712 HydrophobicContact CG2-CB 3.63Å; Q710-E712 PolarHBondContact O-N 3.17Å; E712-Q715 WeakPolarHBondContact O-CB 3.5Å; E712-Q715 PolarHBondContact O-N 3.4Å; E712-C716 PolarHBondContact O-N 3.47Å; E712-C716 VanDerWaalsContact O-N 3.11Å; E712-C716 PolarHBondContact O-SG 2.95Å |
| 713 | C | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -38.7 | 174.5 | -63.1 | 0 | 0 | 0 | 0 | 112 | V673 V681 Q710 E711 Q715 C716 L717 | V673-C713 HydrophobicContact CG1-CB 4.1Å; V673-C713 HydrophobicContact CG2-CB 4.3Å; V681-C713 HydrophobicContact CG2-CB 4.48Å; Q710-C713 HydrophobicContact CB-CB 4Å; Q710-C713 PolarHBondContact O-N 3.19Å; E711-C713 VanDerWaalsContact C-N 3.34Å; E711-C713 PolarHBondContact O-N 3.36Å; C713-Q715 VanDerWaalsContact C-N 3.3Å; C713-C716 PolarHBondContact O-N 3.44Å; C713-L717 VanDerWaalsContact O-CG 3.26Å; C713-L717 WeakPolarHBondContact O-CG 3.34Å; C713-L717 PolarHBondContact O-N 2.86Å; C713-L717 VanDerWaalsContact O-N 3.1Å |
| 714 | I | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.5 | -67.7 | 159.2 | 0 | 0 | 0 | 109.7 | L702 L706 Q710 E711 C716 L717 L718 W746 | L702-I714 HydrophobicContact CD1-CG2 3.95Å; L706-I714 HydrophobicContact CD2-CD1 3.75Å; L706-I714 HydrophobicContact CD2-CG1 4.48Å; L706-I714 HydrophobicContact CG-CD1 4.08Å; L706-I714 HydrophobicContact CG-CG1 4.43Å; Q710-I714 WeakPolarHBondContact O-CD1 3.35Å; Q710-I714 VanDerWaalsContact O-CG1 3.3Å; Q710-I714 WeakPolarHBondContact O-CG1 2.98Å; Q710-I714 PolarHBondContact O-N 3.15Å; E711-I714 WeakPolarHBondContact O-CB 3.48Å; E711-I714 PolarHBondContact O-N 3.28Å; I714-C716 PolarHBondContact O-N 2.96Å; I714-L717 PolarHBondContact O-N 3.19Å; I714-L718 HydrophobicContact CG2-CD1 3.95Å; I714-L718 HydrophobicContact CG2-CG 4.38Å; I714-L718 WeakPolarHBondContact O-CG 2.81Å; I714-L718 PolarHBondContact O-N 2.99Å; I714-W746 HydrophobicContact CB-CD2 4.49Å; I714-W746 HydrophobicContact CB-CH2 4.49Å; I714-W746 HydrophobicContact CB-CZ2 4.26Å; I714-W746 HydrophobicContact CG2-CD2 3.76Å; I714-W746 HydrophobicContact CG2-CE3 3.66Å; I714-W746 HydrophobicContact CG2-CG 4.44Å; I714-W746 HydrophobicContact CG2-CH2 4.15Å; I714-W746 HydrophobicContact CG2-CZ2 4.22Å; I714-W746 HydrophobicContact CG2-CZ3 3.88Å |
| 715 | Q | 93.6 | Very high | 91.3 | Very high | 92 Ų | 92 | 50.5 Ų | 50.5 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.1 | -51.9 | 176.7 | -163 | -176.6 | -35.2 | 0 | 0 | 111.7 | E711 E712 C713 L717 L718 E719 W746 | E711-Q715 PolarHBondContact O-N 2.97Å; E712-Q715 WeakPolarHBondContact O-CB 3.5Å; E712-Q715 PolarHBondContact O-N 3.4Å; C713-Q715 VanDerWaalsContact C-N 3.3Å; Q715-L717 VanDerWaalsContact C-N 3.26Å; Q715-L717 PolarHBondContact O-N 3.48Å; Q715-L718 PolarHBondContact O-N 3.02Å; Q715-L718 VanDerWaalsContact O-N 3.14Å; Q715-E719 PolarHBondContact NE2-OE1 3.16Å; Q715-E719 WeakPolarHBondContact O-CG 3.35Å; Q715-E719 PolarHBondContact O-N 3.13Å; Q715-W746 HydrophobicContact CB-CH2 3.68Å; Q715-W746 HydrophobicContact CB-CZ2 4.36Å; Q715-W746 HydrophobicContact CG-CH2 4.12Å |
| 716 | C | 93.3 | Very high | 91 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 14% | 0.142 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -36.9 | -179.8 | -64.5 | 0 | 0 | 0 | 0 | 112.8 | V681 L685 E712 C713 I714 Q720 | V681-C716 HydrophobicContact CG1-CB 4.12Å; L685-C716 HydrophobicContact CD1-CB 3.91Å; E712-C716 PolarHBondContact O-N 3.47Å; E712-C716 VanDerWaalsContact O-N 3.11Å; E712-C716 PolarHBondContact O-SG 2.95Å; C713-C716 PolarHBondContact O-N 3.44Å; I714-C716 PolarHBondContact O-N 2.96Å; C716-Q720 PolarHBondContact O-N 3.38Å |
| 717 | L | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.4 | -41.5 | 177.2 | -69.5 | 170 | 0 | 0 | 0 | 112.1 | L669 V673 L685 V691 A701 L702 C713 I714 Q715 Q720 A722 | L669-L717 HydrophobicContact CD1-CD2 4.35Å; L669-L717 HydrophobicContact CD2-CD2 4.12Å; L669-L717 HydrophobicContact CG-CD2 4.45Å; V673-L717 HydrophobicContact CG1-CD1 4.25Å; V673-L717 HydrophobicContact CG2-CD1 4Å; V673-L717 HydrophobicContact CG2-CG 4.49Å; L685-L717 HydrophobicContact CD2-CD2 4.4Å; V691-L717 HydrophobicContact CB-CD2 4.38Å; V691-L717 HydrophobicContact CG1-CD2 3.99Å; A701-L717 HydrophobicContact CB-CD1 3.97Å; A701-L717 HydrophobicContact CB-CD2 3.91Å; L702-L717 HydrophobicContact CB-CD1 4.38Å; C713-L717 VanDerWaalsContact O-CG 3.26Å; C713-L717 WeakPolarHBondContact O-CG 3.34Å; C713-L717 PolarHBondContact O-N 2.86Å; C713-L717 VanDerWaalsContact O-N 3.1Å; I714-L717 PolarHBondContact O-N 3.19Å; Q715-L717 VanDerWaalsContact C-N 3.26Å; Q715-L717 PolarHBondContact O-N 3.48Å; L717-Q720 CarbonylContact O-C 3.51Å; L717-Q720 PolarHBondContact O-N 2.92Å; L717-A722 HydrophobicContact CB-CB 4.1Å; L717-A722 WeakPolarHBondContact O-CB 3.37Å; L717-A722 PolarHBondContact O-N 2.82Å; L717-A722 VanDerWaalsContact O-N 3.15Å |
| 718 | L | 90.9 | Very high | 90.6 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.7 | -34.1 | 178.6 | -67.1 | 176.2 | 0 | 0 | 0 | 112.1 | L702 I714 Q715 Q720 E721 V724 W746 L750 I753 | L702-L718 HydrophobicContact CD1-CD2 4.18Å; L702-L718 HydrophobicContact CD1-CG 4.4Å; L702-L718 HydrophobicContact CD2-CD2 4.11Å; I714-L718 HydrophobicContact CG2-CD1 3.95Å; I714-L718 HydrophobicContact CG2-CG 4.38Å; I714-L718 WeakPolarHBondContact O-CG 2.81Å; I714-L718 PolarHBondContact O-N 2.99Å; Q715-L718 PolarHBondContact O-N 3.02Å; Q715-L718 VanDerWaalsContact O-N 3.14Å; L718-Q720 PolarHBondContact O-N 3.31Å; L718-E721 PolarHBondContact O-N 3.12Å; L718-V724 HydrophobicContact CD2-CG1 3.92Å; L718-W746 HydrophobicContact CD1-CE3 3.95Å; L718-W746 HydrophobicContact CD1-CZ3 3.75Å; L718-L750 HydrophobicContact CD1-CD2 4.14Å; L718-L750 HydrophobicContact CD2-CD2 3.92Å; L718-I753 HydrophobicContact CD1-CD1 4.18Å; L718-I753 HydrophobicContact CD2-CD1 3.97Å; L718-I753 HydrophobicContact CG-CD1 4.46Å |
| 719 | E | 90.7 | Very high | 90.6 | Very high | 122 Ų | 122 | 54 Ų | 54 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.9 | -26 | 171.7 | -73.4 | 174.3 | -174.4 | 0 | 0 | 112.6 | Q715 | Q715-E719 PolarHBondContact NE2-OE1 3.16Å; Q715-E719 WeakPolarHBondContact O-CG 3.35Å; Q715-E719 PolarHBondContact O-N 3.13Å |
| 720 | Q | 89.8 | Confident | 90.4 | Very high | 106 Ų | 106 | 59.7 Ų | 59.7 | 50% | 0.495 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 23.9 | 174.7 | -63.2 | -62.3 | -36.1 | 0 | 0 | 113.3 | L685 V691 C716 L717 L718 A722 | L685-Q720 HydrophobicContact CB-CG 4.19Å; L685-Q720 HydrophobicContact CD1-CG 3.96Å; L685-Q720 HydrophobicContact CD2-CB 4.45Å; L685-Q720 HydrophobicContact CD2-CG 4.15Å; L685-Q720 HydrophobicContact CG-CG 4.31Å; V691-Q720 HydrophobicContact CG1-CB 4.19Å; C716-Q720 PolarHBondContact O-N 3.38Å; L717-Q720 CarbonylContact O-C 3.51Å; L717-Q720 PolarHBondContact O-N 2.92Å; L718-Q720 PolarHBondContact O-N 3.31Å; Q720-A722 VanDerWaalsContact C-N 3.31Å; Q720-A722 PolarHBondContact O-N 3.45Å |
| 721 | E | 87.9 | Confident | 90.1 | Very high | 173 Ų | 173 | 57.3 Ų | 57.3 | 81% | 0.808 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 37.8 | 175.7 | -55.9 | -176.7 | 174.7 | 0 | 0 | 113.8 | L718 S723 | L718-E721 PolarHBondContact O-N 3.12Å; E721-S723 PolarHBondContact O-N 3.34Å |
| 722 | A | 88.9 | Confident | 90.1 | Very high | 3 Ų | 3 | 53.9 Ų | 53.9 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | trans | -59.6 | 130.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V691 L702 L717 Q720 V724 | V691-A722 HydrophobicContact CB-CB 4.16Å; V691-A722 HydrophobicContact CG2-CB 4.05Å; L702-A722 HydrophobicContact CD2-CB 4.42Å; L717-A722 HydrophobicContact CB-CB 4.1Å; L717-A722 WeakPolarHBondContact O-CB 3.37Å; L717-A722 PolarHBondContact O-N 2.82Å; L717-A722 VanDerWaalsContact O-N 3.15Å; Q720-A722 VanDerWaalsContact C-N 3.31Å; Q720-A722 PolarHBondContact O-N 3.45Å; A722-V724 PolarHBondContact O-N 3.4Å | ||
| 723 | S | 89.6 | Confident | 90.1 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 18% | 0.182 | 25% | 0.249 | C | C | . | . | trans | -70.9 | 124 | -174.8 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | N692 E721 | N692-S723 WeakPolarHBondContact OD1-CB 3.43Å; N692-S723 PolarHBondContact OD1-N 3.05Å; E721-S723 PolarHBondContact O-N 3.34Å | ||
| 724 | V | 88.9 | Confident | 90 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -84.1 | -12.9 | 179.5 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | L702 L718 A722 L750 I753 A754 | L702-V724 HydrophobicContact CD2-CG1 4.17Å; L718-V724 HydrophobicContact CD2-CG1 3.92Å; A722-V724 PolarHBondContact O-N 3.4Å; V724-L750 HydrophobicContact CB-CD2 4.23Å; V724-L750 HydrophobicContact CG1-CD2 3.52Å; V724-I753 HydrophobicContact CG1-CB 4.33Å; V724-I753 HydrophobicContact CG1-CG2 3.91Å; V724-I753 HydrophobicContact CG2-CB 4.47Å; V724-I753 HydrophobicContact CG2-CG2 4.02Å; V724-A754 HydrophobicContact CG2-CB 3.95Å |
| 725 | L | 86.6 | Confident | 89.9 | Confident | 55 Ų | 55 | 48.2 Ų | 48.2 | 29% | 0.288 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -99.1 | -7.6 | -174 | -64.1 | -178.8 | 0 | 0 | 0 | 114.1 | G727 A754 E757 P762 L764 | L725-G727 PolarHBondContact O-N 3.37Å; L725-A754 HydrophobicContact CD2-CB 4.04Å; L725-E757 HydrophobicContact CD1-CB 4.4Å; L725-E757 WeakPolarHBondContact CD1-OE2 3.41Å; L725-E757 WeakPolarHBondContact CG-OE2 3.41Å; L725-P762 HydrophobicContact CD2-CG 4.13Å; L725-L764 HydrophobicContact CD2-CD2 4.33Å |
| 726 | L | 88.1 | Confident | 89.7 | Confident | 69 Ų | 69 | 43.9 Ų | 43.9 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | trans | -64.8 | 133.2 | 173.1 | -69.4 | 175 | 0 | 0 | 0 | 110 | N692 T700 H703 T733 | N692-L726 HydrophobicContact CB-CD1 3.93Å; T700-L726 HydrophobicContact CG2-CB 4.42Å; T700-L726 HydrophobicContact CG2-CD1 4.07Å; H703-L726 PolarHBondContact CE1-O 3.35Å; H703-L726 PolarHBondContact NE2-O 3.23Å; H703-L726 VanDerWaalsContact NE2-O 3.1Å; L726-T733 WeakPolarHBondContact O-CA 3.46Å | ||
| 727 | G | 87.3 | Confident | 89.7 | Confident | 37 Ų | 37 | 43 Ų | 43 | 38% | 0.381 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -100.1 | 147.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L725 R732 | L725-G727 PolarHBondContact O-N 3.37Å; G727-R732 WeakPolarHBondContact CA-O 3.24Å |
| 728 | D | 90.3 | Very high | 89.7 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | trans | -68.7 | -178.1 | 167.1 | 77.5 | -2.9 | 0 | 0 | 0 | 112.2 | G698 L699 R730 G731 R732 | G698-D728 WeakPolarHBondContact O-CA 3.4Å; L699-D728 HydrophobicContact CD2-CB 3.83Å; D728-R730 PolarHBondContact O-N 3.16Å; D728-R730 VanDerWaalsContact OD1-CA 3.3Å; D728-R730 WeakPolarHBondContact OD1-CA 3.24Å; D728-R730 WeakPolarHBondContact OD1-CB 3.34Å; D728-R730 PolarHBondContact OD1-N 3.1Å; D728-G731 WeakPolarHBondContact O-CA 3.29Å; D728-G731 PolarHBondContact O-N 2.87Å; D728-G731 PolarHBondContact OD1-N 2.91Å; D728-G731 VanDerWaalsContact OD1-N 3.11Å; D728-R732 PolarHBondContact N-O 3.33Å; D728-R732 WeakPolarHBondContact OD1-CB 3.41Å; D728-R732 PolarHBondContact OD1-N 2.81Å; D728-R732 IonicContact OD1-NE 3.62Å; D728-R732 IonicContact OD2-CZ 2.79Å; D728-R732 IonicContact OD2-NE 3.6Å; D728-R732 PolarHBondContact OD2-NE 2.69Å; D728-R732 IonicContact OD2-NH2 3.56Å; D728-R732 PolarHBondContact OD2-NH2 2.9Å | ||
| 729 | S | 89.3 | Confident | 89.8 | Confident | 70 Ų | 70 | 42 Ų | 42 | 49% | 0.49 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -18.1 | 175.8 | 52 | 0 | 0 | 0 | 0 | 115 | H697 H767 | H697-S729 WeakPolarHBondContact O-CB 3.48Å; H697-S729 PolarHBondContact O-N 3.5Å; H697-S729 PolarHBondContact O-OG 2.89Å; S729-H767 PolarHBondContact O-CE1 3.43Å; S729-H767 PolarHBondContact O-ND1 3.41Å |
| 730 | R | 86.9 | Confident | 89.9 | Confident | 148 Ų | 148 | 36.9 Ų | 36.9 | 56% | 0.558 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 3.5 | 175.3 | -51.5 | -175.1 | -152.5 | 179 | 5.9 | 112.5 | D728 R732 D766 H767 | D728-R730 PolarHBondContact O-N 3.16Å; D728-R730 VanDerWaalsContact OD1-CA 3.3Å; D728-R730 WeakPolarHBondContact OD1-CA 3.24Å; D728-R730 WeakPolarHBondContact OD1-CB 3.34Å; D728-R730 PolarHBondContact OD1-N 3.1Å; R730-R732 VanDerWaalsContact C-N 3.32Å; R730-R732 HydrophobicContact CB-CG 4.27Å; R730-D766 WeakPolarHBondContact O-CB 3.43Å; R730-H767 VanDerWaalsContact C-ND1 3.28Å; R730-H767 WeakPolarHBondContact O-CB 3.36Å; R730-H767 VanDerWaalsContact O-CG 3.24Å; R730-H767 PolarHBondContact O-N 2.99Å; R730-H767 PolarHBondContact O-ND1 3.31Å |
| 731 | G | 86.9 | Confident | 90.1 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 12% | 0.124 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 77.8 | 12.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D728 H767 | D728-G731 WeakPolarHBondContact O-CA 3.29Å; D728-G731 PolarHBondContact O-N 2.87Å; D728-G731 PolarHBondContact OD1-N 2.91Å; D728-G731 VanDerWaalsContact OD1-N 3.11Å; G731-H767 PolarHBondContact N-CE1 2.76Å |
| 732 | R | 90.3 | Very high | 90.2 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 14% | 0.14 | 17% | 0.168 | C | C | . | . | trans | -82 | 122.2 | 178.5 | -60.5 | 178.3 | -61.1 | 168.3 | 6.4 | 109.5 | G727 D728 R730 H736 D766 | G727-R732 WeakPolarHBondContact CA-O 3.24Å; D728-R732 PolarHBondContact N-O 3.33Å; D728-R732 WeakPolarHBondContact OD1-CB 3.41Å; D728-R732 PolarHBondContact OD1-N 2.81Å; D728-R732 IonicContact OD1-NE 3.62Å; D728-R732 IonicContact OD2-CZ 2.79Å; D728-R732 IonicContact OD2-NE 3.6Å; D728-R732 PolarHBondContact OD2-NE 2.69Å; D728-R732 IonicContact OD2-NH2 3.56Å; D728-R732 PolarHBondContact OD2-NH2 2.9Å; R730-R732 VanDerWaalsContact C-N 3.32Å; R730-R732 HydrophobicContact CB-CG 4.27Å; R732-H736 HydrophobicContact CB-CB 3.99Å; R732-H736 HydrophobicContact CG-CB 4.48Å; R732-D766 HydrophobicContact CG-CB 3.86Å | ||
| 733 | T | 91.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -85.2 | 171.8 | 175.5 | 66.7 | 0 | 0 | 0 | 0 | 112.1 | L726 I735 H736 L737 | L726-T733 WeakPolarHBondContact O-CA 3.46Å; T733-I735 PolarHBondContact O-N 2.99Å; T733-I735 VanDerWaalsContact O-N 3.14Å; T733-I735 PolarHBondContact OG1-N 2.7Å; T733-H736 PolarHBondContact N-ND1 2.83Å; T733-H736 WeakPolarHBondContact O-CB 3.46Å; T733-H736 PolarHBondContact O-N 3.48Å; T733-H736 PolarHBondContact OG1-ND1 2.82Å; T733-L737 PolarHBondContact O-N 3.03Å |
| 734 | A | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -48.1 | -40.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | L702 H703 L706 H736 L737 A738 L750 | L702-A734 HydrophobicContact CD2-CB 3.78Å; L702-A734 HydrophobicContact CG-CB 4.09Å; H703-A734 PolarHBondContact CD2-N 2.84Å; H703-A734 PolarHBondContact NE2-N 3.46Å; H703-A734 VanDerWaalsContact NE2-N 3.15Å; L706-A734 HydrophobicContact CD1-CB 3.59Å; L706-A734 WeakPolarHBondContact CD1-O 3.45Å; A734-H736 VanDerWaalsContact C-N 3.34Å; A734-H736 PolarHBondContact O-N 3.04Å; A734-L737 PolarHBondContact O-N 2.79Å; A734-A738 WeakPolarHBondContact O-CB 3.29Å; A734-A738 PolarHBondContact O-N 2.87Å; A734-L750 HydrophobicContact CB-CD1 4.41Å |
| 735 | I | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -38.8 | 178.6 | -54.6 | 171.8 | 0 | 0 | 0 | 111.6 | T733 A739 L747 L750 L751 A754 L764 P772 | T733-I735 PolarHBondContact O-N 2.99Å; T733-I735 VanDerWaalsContact O-N 3.14Å; T733-I735 PolarHBondContact OG1-N 2.7Å; I735-A739 WeakPolarHBondContact O-CB 3.38Å; I735-A739 PolarHBondContact O-N 2.91Å; I735-L747 HydrophobicContact CG2-CD1 3.58Å; I735-L750 HydrophobicContact CG1-CB 4.15Å; I735-L751 HydrophobicContact CD1-CD2 4.24Å; I735-L751 HydrophobicContact CG2-CD2 4.02Å; I735-L751 HydrophobicContact CG2-CG 4.4Å; I735-A754 HydrophobicContact CD1-CB 3.94Å; I735-L764 HydrophobicContact CB-CD1 4.39Å; I735-L764 HydrophobicContact CD1-CD1 3.68Å; I735-L764 HydrophobicContact CD1-CD2 3.96Å; I735-L764 HydrophobicContact CG2-CD1 3.96Å; I735-P772 HydrophobicContact CB-CG 4.41Å; I735-P772 HydrophobicContact CG2-CB 4.07Å; I735-P772 HydrophobicContact CG2-CG 3.75Å |
| 736 | H | 91.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.4 | -66.5 | 81 | 0 | 0 | 0 | 111.3 | R732 T733 A734 A740 L764 Y770 P772 W775 | R732-H736 HydrophobicContact CB-CB 3.99Å; R732-H736 HydrophobicContact CG-CB 4.48Å; T733-H736 PolarHBondContact N-ND1 2.83Å; T733-H736 WeakPolarHBondContact O-CB 3.46Å; T733-H736 PolarHBondContact O-N 3.48Å; T733-H736 PolarHBondContact OG1-ND1 2.82Å; A734-H736 VanDerWaalsContact C-N 3.34Å; A734-H736 PolarHBondContact O-N 3.04Å; H736-A740 VanDerWaalsContact O-CB 3.27Å; H736-A740 WeakPolarHBondContact O-CB 3.48Å; H736-A740 PolarHBondContact O-N 3.15Å; H736-L764 PolarHBondContact NE2-O 2.86Å; H736-Y770 PolarHBondContact NE2-O 2.86Å; H736-P772 WeakPolarHBondContact NE2-CD 3.48Å; H736-W775 AromaticContact CD2-CD1 3.84Å |
| 737 | L | 92.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.5 | -39.4 | -179.6 | -60.2 | 178.5 | 0 | 0 | 0 | 111.7 | H703 L706 L707 T733 A734 A740 R741 | H703-L737 HydrophobicContact CB-CD1 3.68Å; L706-L737 HydrophobicContact CB-CB 4.35Å; L707-L737 HydrophobicContact CD1-CD1 4.26Å; L707-L737 HydrophobicContact CD2-CD2 4.08Å; L707-L737 HydrophobicContact CG-CD1 4.11Å; L707-L737 HydrophobicContact CG-CD2 4.48Å; T733-L737 PolarHBondContact O-N 3.03Å; A734-L737 PolarHBondContact O-N 2.79Å; L737-A740 PolarHBondContact O-N 2.86Å; L737-R741 WeakPolarHBondContact O-CB 3.28Å; L737-R741 WeakPolarHBondContact O-CG 3.38Å; L737-R741 PolarHBondContact O-N 2.96Å |
| 738 | A | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L706 A734 A740 R741 G742 H743 L747 L750 | L706-A738 HydrophobicContact CD2-CB 3.99Å; A734-A738 WeakPolarHBondContact O-CB 3.29Å; A734-A738 PolarHBondContact O-N 2.87Å; A738-A740 PolarHBondContact O-N 3.05Å; A738-R741 PolarHBondContact O-N 2.66Å; A738-G742 PolarHBondContact O-N 2.94Å; A738-G742 VanDerWaalsContact O-N 3.09Å; A738-H743 HydrophobicContact CB-CB 4.37Å; A738-H743 PolarHBondContact O-N 2.96Å; A738-L747 HydrophobicContact CB-CB 4.45Å; A738-L747 HydrophobicContact CB-CD1 4.05Å; A738-L750 HydrophobicContact CB-CD1 3.84Å |
| 739 | A | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I735 L747 P772 A776 H781 L788 | I735-A739 WeakPolarHBondContact O-CB 3.38Å; I735-A739 PolarHBondContact O-N 2.91Å; A739-L747 HydrophobicContact CB-CD1 4.34Å; A739-L747 HydrophobicContact CB-CD2 4.34Å; A739-P772 HydrophobicContact CB-CB 3.81Å; A739-P772 WeakPolarHBondContact CB-O 3.39Å; A739-A776 HydrophobicContact CB-CB 4.19Å; A739-A776 WeakPolarHBondContact O-CA 3.28Å; A739-H781 PolarHBondContact O-CD2 3.4Å; A739-H781 VanDerWaalsContact O-CD2 3.31Å; A739-L788 HydrophobicContact CB-CD1 4.24Å |
| 740 | A | 92.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 32 Ų | 32 | 11% | 0.107 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -73.2 | -22.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | H736 L737 A738 W775 Y779 H781 | H736-A740 VanDerWaalsContact O-CB 3.27Å; H736-A740 WeakPolarHBondContact O-CB 3.48Å; H736-A740 PolarHBondContact O-N 3.15Å; L737-A740 PolarHBondContact O-N 2.86Å; A738-A740 PolarHBondContact O-N 3.05Å; A740-W775 HydrophobicContact CB-CB 4.05Å; A740-Y779 HydrophobicContact CB-CD2 4.03Å; A740-Y779 HydrophobicContact CB-CE2 3.97Å; A740-Y779 WeakPolarHBondContact O-CD2 3.4Å; A740-H781 PolarHBondContact O-NE2 3.42Å; A740-H781 VanDerWaalsContact O-NE2 3.16Å |
| 741 | R | 93.1 | Very high | 90.5 | Very high | 117 Ų | 117 | 25 Ų | 25 | 44% | 0.442 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -104.8 | -6.6 | -178.3 | -63.1 | -65.8 | -101.4 | 97.5 | -10.7 | 113.6 | L707 L737 A738 | L707-R741 PolarHBondContact O-NE 3.18Å; L707-R741 VanDerWaalsContact O-NE 3.14Å; L707-R741 PolarHBondContact O-NH2 2.91Å; L737-R741 WeakPolarHBondContact O-CB 3.28Å; L737-R741 WeakPolarHBondContact O-CG 3.38Å; L737-R741 PolarHBondContact O-N 2.96Å; A738-R741 PolarHBondContact O-N 2.66Å |
| 742 | G | 91.8 | Very high | 90.5 | Very high | 29 Ų | 29 | 27.8 Ų | 27.8 | 30% | 0.299 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 20.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | A738 A744 H781 C784 | A738-G742 PolarHBondContact O-N 2.94Å; A738-G742 VanDerWaalsContact O-N 3.09Å; G742-A744 VanDerWaalsContact C-N 3.33Å; G742-A744 PolarHBondContact O-N 2.69Å; G742-H781 VanDerWaalsContact CA-CG 3.45Å; G742-H781 PolarHBondContact N-CD2 2.94Å; G742-H781 VanDerWaalsContact N-CD2 3.34Å; G742-H781 PolarHBondContact N-NE2 3.35Å; G742-C784 VanDerWaalsContact CA-SG 3.58Å |
| 743 | H | 92.3 | Very high | 90.3 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 12% | 0.116 | 16% | 0.164 | C | C | . | . | trans | -82.9 | 70.9 | -177.7 | -63.9 | -50.4 | 0 | 0 | 0 | 111.8 | L706 A738 S745 W746 L747 | L706-H743 PolarHBondContact O-CD2 3.25Å; L706-H743 PolarHBondContact O-NE2 3.43Å; A738-H743 HydrophobicContact CB-CB 4.37Å; A738-H743 PolarHBondContact O-N 2.96Å; H743-S745 PolarHBondContact O-N 3.2Å; H743-W746 HydrophobicContact CB-CB 4.15Å; H743-W746 PolarHBondContact O-N 3.1Å; H743-L747 VanDerWaalsContact O-CB 3.24Å; H743-L747 WeakPolarHBondContact O-CB 3.43Å; H743-L747 PolarHBondContact O-N 3.49Å | ||
| 744 | A | 89.6 | Confident | 89.8 | Confident | 28 Ų | 28 | 27.3 Ų | 27.3 | 23% | 0.231 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.7 | -37.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | G742 L747 S748 | G742-A744 VanDerWaalsContact C-N 3.33Å; G742-A744 PolarHBondContact O-N 2.69Å; A744-L747 PolarHBondContact O-N 3.47Å; A744-S748 PolarHBondContact O-N 3.35Å |
| 745 | S | 88.3 | Confident | 89.1 | Confident | 81 Ų | 81 | 30.3 Ų | 30.3 | 57% | 0.566 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -61.8 | -55.2 | 176.2 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | H743 L747 S748 E749 | H743-S745 PolarHBondContact O-N 3.2Å; S745-L747 VanDerWaalsContact C-N 3.27Å; S745-L747 PolarHBondContact O-N 3.5Å; S745-S748 PolarHBondContact O-N 3.23Å; S745-E749 PolarHBondContact O-N 3.07Å |
| 746 | W | 89.7 | Confident | 88.4 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -34.6 | 176.8 | -70.1 | 113.2 | 0 | 0 | 0 | 112.4 | L706 E711 I714 Q715 L718 H743 S748 E749 L750 | L706-W746 HydrophobicContact CD2-CB 4.46Å; E711-W746 HydrophobicContact CB-CZ2 4.09Å; E711-W746 WeakPolarHBondContact O-CZ2 3.25Å; I714-W746 HydrophobicContact CB-CD2 4.49Å; I714-W746 HydrophobicContact CB-CH2 4.49Å; I714-W746 HydrophobicContact CB-CZ2 4.26Å; I714-W746 HydrophobicContact CG2-CD2 3.76Å; I714-W746 HydrophobicContact CG2-CE3 3.66Å; I714-W746 HydrophobicContact CG2-CG 4.44Å; I714-W746 HydrophobicContact CG2-CH2 4.15Å; I714-W746 HydrophobicContact CG2-CZ2 4.22Å; I714-W746 HydrophobicContact CG2-CZ3 3.88Å; Q715-W746 HydrophobicContact CB-CH2 3.68Å; Q715-W746 HydrophobicContact CB-CZ2 4.36Å; Q715-W746 HydrophobicContact CG-CH2 4.12Å; L718-W746 HydrophobicContact CD1-CE3 3.95Å; L718-W746 HydrophobicContact CD1-CZ3 3.75Å; H743-W746 HydrophobicContact CB-CB 4.15Å; H743-W746 PolarHBondContact O-N 3.1Å; W746-S748 VanDerWaalsContact C-N 3.32Å; W746-S748 PolarHBondContact O-N 3.13Å; W746-E749 WeakPolarHBondContact CZ3-OE2 3.42Å; W746-E749 PolarHBondContact O-N 3.31Å; W746-L750 WeakPolarHBondContact O-CB 3.34Å; W746-L750 WeakPolarHBondContact O-CG 3.31Å; W746-L750 PolarHBondContact O-N 3.32Å |
| 747 | L | 90 | Very high | 87.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 178.7 | -173.2 | 62.9 | 0 | 0 | 0 | 112 | I735 A738 A739 H743 A744 S745 L751 C784 V787 L788 | I735-L747 HydrophobicContact CG2-CD1 3.58Å; A738-L747 HydrophobicContact CB-CB 4.45Å; A738-L747 HydrophobicContact CB-CD1 4.05Å; A739-L747 HydrophobicContact CB-CD1 4.34Å; A739-L747 HydrophobicContact CB-CD2 4.34Å; H743-L747 VanDerWaalsContact O-CB 3.24Å; H743-L747 WeakPolarHBondContact O-CB 3.43Å; H743-L747 PolarHBondContact O-N 3.49Å; A744-L747 PolarHBondContact O-N 3.47Å; S745-L747 VanDerWaalsContact C-N 3.27Å; S745-L747 PolarHBondContact O-N 3.5Å; L747-L751 HydrophobicContact CD1-CD1 4.4Å; L747-L751 HydrophobicContact CG-CD1 4.1Å; L747-L751 WeakPolarHBondContact O-CB 3.2Å; L747-L751 WeakPolarHBondContact O-CD1 3.44Å; L747-L751 WeakPolarHBondContact O-CG 3.18Å; L747-L751 PolarHBondContact O-N 3.26Å; L747-C784 HydrophobicContact CD2-CB 3.67Å; L747-V787 HydrophobicContact CB-CG1 4.48Å; L747-V787 HydrophobicContact CD2-CG1 4.39Å; L747-V787 HydrophobicContact CG-CG1 4.24Å; L747-L788 HydrophobicContact CD1-CD2 4.4Å; L747-L788 HydrophobicContact CD2-CD1 4Å; L747-L788 HydrophobicContact CD2-CD2 4.2Å; L747-L788 HydrophobicContact CD2-CG 3.77Å; L747-L788 HydrophobicContact CG-CD2 4.47Å |
| 748 | S | 87.8 | Confident | 85.7 | Confident | 59 Ų | 59 | 40 Ų | 40 | 41% | 0.413 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 175.7 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | A744 S745 W746 L751 S752 | A744-S748 PolarHBondContact O-N 3.35Å; S745-S748 PolarHBondContact O-N 3.23Å; W746-S748 VanDerWaalsContact C-N 3.32Å; W746-S748 PolarHBondContact O-N 3.13Å; S748-L751 PolarHBondContact O-N 3.38Å; S748-S752 PolarHBondContact O-N 3.08Å |
| 749 | E | 88 | Confident | 83.9 | Confident | 86 Ų | 86 | 46.9 Ų | 46.9 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.7 | -47.8 | 179.2 | -171.8 | 167.4 | -176.1 | 0 | 0 | 112.2 | S745 W746 L751 S752 I753 | S745-E749 PolarHBondContact O-N 3.07Å; W746-E749 WeakPolarHBondContact CZ3-OE2 3.42Å; W746-E749 PolarHBondContact O-N 3.31Å; E749-L751 VanDerWaalsContact C-N 3.29Å; E749-L751 PolarHBondContact O-N 2.87Å; E749-S752 WeakPolarHBondContact O-CA 3.39Å; E749-S752 WeakPolarHBondContact O-CB 3.32Å; E749-S752 PolarHBondContact O-N 2.79Å; E749-S752 PolarHBondContact O-OG 2.66Å; E749-I753 HydrophobicContact CG-CD1 4.25Å; E749-I753 WeakPolarHBondContact O-CG1 3.49Å; E749-I753 PolarHBondContact O-N 2.95Å |
| 750 | L | 89.5 | Confident | 82.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -38.4 | 176.2 | -68.5 | 171.3 | 0 | 0 | 0 | 112 | L702 L706 L718 V724 A734 I735 A738 W746 I753 A754 | L702-L750 HydrophobicContact CD2-CD2 4.4Å; L706-L750 HydrophobicContact CD1-CD1 4.04Å; L706-L750 HydrophobicContact CD2-CD1 4.28Å; L718-L750 HydrophobicContact CD1-CD2 4.14Å; L718-L750 HydrophobicContact CD2-CD2 3.92Å; V724-L750 HydrophobicContact CB-CD2 4.23Å; V724-L750 HydrophobicContact CG1-CD2 3.52Å; A734-L750 HydrophobicContact CB-CD1 4.41Å; I735-L750 HydrophobicContact CG1-CB 4.15Å; A738-L750 HydrophobicContact CB-CD1 3.84Å; W746-L750 WeakPolarHBondContact O-CB 3.34Å; W746-L750 WeakPolarHBondContact O-CG 3.31Å; W746-L750 PolarHBondContact O-N 3.32Å; L750-I753 PolarHBondContact O-N 3.29Å; L750-A754 WeakPolarHBondContact O-CB 3.12Å; L750-A754 PolarHBondContact O-N 3.02Å |
| 751 | L | 86.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.7 | -37.7 | 174.5 | -74.3 | 165.5 | 0 | 0 | 0 | 111.6 | I735 L747 S748 E749 I753 A754 C755 L764 V787 L788 Q791 | I735-L751 HydrophobicContact CD1-CD2 4.24Å; I735-L751 HydrophobicContact CG2-CD2 4.02Å; I735-L751 HydrophobicContact CG2-CG 4.4Å; L747-L751 HydrophobicContact CD1-CD1 4.4Å; L747-L751 HydrophobicContact CG-CD1 4.1Å; L747-L751 WeakPolarHBondContact O-CB 3.2Å; L747-L751 WeakPolarHBondContact O-CD1 3.44Å; L747-L751 WeakPolarHBondContact O-CG 3.18Å; L747-L751 PolarHBondContact O-N 3.26Å; S748-L751 PolarHBondContact O-N 3.38Å; E749-L751 VanDerWaalsContact C-N 3.29Å; E749-L751 PolarHBondContact O-N 2.87Å; L751-I753 VanDerWaalsContact C-N 3.35Å; L751-A754 PolarHBondContact O-N 3.03Å; L751-C755 PolarHBondContact O-N 3.42Å; L751-C755 PolarHBondContact O-SG 3.47Å; L751-L764 HydrophobicContact CD2-CD1 4.27Å; L751-V787 HydrophobicContact CD1-CG1 4.11Å; L751-L788 HydrophobicContact CD1-CD2 3.94Å; L751-Q791 HydrophobicContact CD1-CG 4.24Å |
| 752 | S | 85.9 | Confident | 79.6 | Confident | 70 Ų | 70 | 49.7 Ų | 49.7 | 49% | 0.49 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 176.2 | 81.7 | 0 | 0 | 0 | 0 | 112 | S748 E749 C755 S756 | S748-S752 PolarHBondContact O-N 3.08Å; E749-S752 WeakPolarHBondContact O-CA 3.39Å; E749-S752 WeakPolarHBondContact O-CB 3.32Å; E749-S752 PolarHBondContact O-N 2.79Å; E749-S752 PolarHBondContact O-OG 2.66Å; S752-C755 PolarHBondContact O-N 3.05Å; S752-S756 PolarHBondContact O-N 3.02Å |
| 753 | I | 85.4 | Confident | 78.4 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.3 | -45 | 176.3 | -63.4 | 168.5 | 0 | 0 | 0 | 110.3 | L718 V724 E749 L750 L751 C755 S756 E757 | L718-I753 HydrophobicContact CD1-CD1 4.18Å; L718-I753 HydrophobicContact CD2-CD1 3.97Å; L718-I753 HydrophobicContact CG-CD1 4.46Å; V724-I753 HydrophobicContact CG1-CB 4.33Å; V724-I753 HydrophobicContact CG1-CG2 3.91Å; V724-I753 HydrophobicContact CG2-CB 4.47Å; V724-I753 HydrophobicContact CG2-CG2 4.02Å; E749-I753 HydrophobicContact CG-CD1 4.25Å; E749-I753 WeakPolarHBondContact O-CG1 3.49Å; E749-I753 PolarHBondContact O-N 2.95Å; L750-I753 PolarHBondContact O-N 3.29Å; L751-I753 VanDerWaalsContact C-N 3.35Å; I753-C755 PolarHBondContact O-N 2.82Å; I753-S756 PolarHBondContact O-N 2.68Å; I753-S756 PolarHBondContact O-OG 3.49Å; I753-E757 HydrophobicContact CG2-CG 4.46Å; I753-E757 PolarHBondContact O-N 3.26Å |
| 754 | A | 82.7 | Confident | 77.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.2 | -33.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V724 L725 I735 L750 L751 S758 L761 | V724-A754 HydrophobicContact CG2-CB 3.95Å; L725-A754 HydrophobicContact CD2-CB 4.04Å; I735-A754 HydrophobicContact CD1-CB 3.94Å; L750-A754 WeakPolarHBondContact O-CB 3.12Å; L750-A754 PolarHBondContact O-N 3.02Å; L751-A754 PolarHBondContact O-N 3.03Å; A754-S758 PolarHBondContact O-N 3.11Å; A754-S758 PolarHBondContact O-OG 3.36Å; A754-S758 VanDerWaalsContact O-OG 3.13Å; A754-L761 HydrophobicContact CB-CD1 4.26Å |
| 755 | C | 76.3 | Confident | 77.4 | Confident | 63 Ų | 63 | 56 Ų | 56 | 43% | 0.426 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.1 | -24.4 | 174.1 | -68.4 | 0 | 0 | 0 | 0 | 113.6 | L751 S752 I753 L761 | L751-C755 PolarHBondContact O-N 3.42Å; L751-C755 PolarHBondContact O-SG 3.47Å; S752-C755 PolarHBondContact O-N 3.05Å; I753-C755 PolarHBondContact O-N 2.82Å; C755-L761 WeakPolarHBondContact SG-CD1 3.29Å |
| 756 | S | 75.9 | Confident | 77.4 | Confident | 97 Ų | 97 | 52.8 Ų | 52.8 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -85.3 | -34.3 | 177.2 | 71 | 0 | 0 | 0 | 0 | 112 | S752 I753 S758 | S752-S756 PolarHBondContact O-N 3.02Å; I753-S756 PolarHBondContact O-N 2.68Å; I753-S756 PolarHBondContact O-OG 3.49Å; S756-S758 VanDerWaalsContact C-N 3.3Å; S756-S758 PolarHBondContact O-N 3.02Å |
| 757 | E | 68.6 | Low | 77.3 | Confident | 89 Ų | 89 | 59 Ų | 59 | 42% | 0.416 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68 | -25.1 | 176.4 | -71.3 | -177.5 | -177.1 | 0 | 0 | 113.2 | L725 I753 | L725-E757 HydrophobicContact CD1-CB 4.4Å; L725-E757 WeakPolarHBondContact CD1-OE2 3.41Å; L725-E757 WeakPolarHBondContact CG-OE2 3.41Å; I753-E757 HydrophobicContact CG2-CG 4.46Å; I753-E757 PolarHBondContact O-N 3.26Å |
| 758 | S | 59.3 | Low | 76.9 | Confident | 24 Ų | 24 | 61 Ų | 61 | 17% | 0.168 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -143.3 | 136.3 | -177.4 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | A754 S756 S760 | A754-S758 PolarHBondContact O-N 3.11Å; A754-S758 PolarHBondContact O-OG 3.36Å; A754-S758 VanDerWaalsContact O-OG 3.13Å; S756-S758 VanDerWaalsContact C-N 3.3Å; S756-S758 PolarHBondContact O-N 3.02Å; S758-S760 PolarHBondContact O-N 3.2Å; S758-S760 VanDerWaalsContact O-N 3.08Å; S758-S760 PolarHBondContact OG-O 3.3Å |
| 759 | P | 56.2 | Low | 76.8 | Confident | 144 Ų | 144 | 58.8 Ų | 58.8 | 94% | 0.935 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -68.9 | -8.5 | -176.5 | 26.1 | -33.3 | 0 | 0 | 0 | 114.4 | ||
| 760 | S | 58.8 | Low | 76.8 | Confident | 92 Ų | 92 | 58.6 Ų | 58.6 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -147.4 | 126.3 | 170.3 | 60.7 | 0 | 0 | 0 | 0 | 108.7 | S758 | S758-S760 PolarHBondContact O-N 3.2Å; S758-S760 VanDerWaalsContact O-N 3.08Å; S758-S760 PolarHBondContact OG-O 3.3Å |
| 761 | L | 62.7 | Low | 76.9 | Confident | 47 Ų | 47 | 59 Ų | 59 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | trans | -53.8 | 122.5 | -179.8 | -149.2 | 105.4 | 0 | 0 | 0 | 109.7 | A754 C755 L764 | A754-L761 HydrophobicContact CB-CD1 4.26Å; C755-L761 WeakPolarHBondContact SG-CD1 3.29Å; L761-L764 HydrophobicContact CD2-CD1 3.66Å; L761-L764 HydrophobicContact CD2-CG 3.97Å | ||
| 762 | P | 65.3 | Low | 77 | Confident | 50 Ų | 50 | 59 Ų | 59 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | trans | -61.8 | 153.7 | 175.4 | 25.4 | -33.1 | 0 | 0 | 0 | 109.7 | L725 L764 | L725-P762 HydrophobicContact CD2-CG 4.13Å; P762-L764 PolarHBondContact O-N 3.07Å | ||
| 763 | P | 66.4 | Low | 77.2 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | trans | -61.7 | 101.4 | 172.7 | 26 | -32.1 | 0 | 0 | 0 | 108.3 | R765 | P763-R765 HydrophobicContact CB-CG 4.36Å; P763-R765 PolarHBondContact O-N 3.44Å | ||
| 764 | L | 76.9 | Confident | 77.4 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | trans | -69.2 | 80.7 | 178.9 | -65.3 | 175.9 | 0 | 0 | 0 | 108.5 | L725 I735 H736 L751 L761 P762 T771 P772 | L725-L764 HydrophobicContact CD2-CD2 4.33Å; I735-L764 HydrophobicContact CB-CD1 4.39Å; I735-L764 HydrophobicContact CD1-CD1 3.68Å; I735-L764 HydrophobicContact CD1-CD2 3.96Å; I735-L764 HydrophobicContact CG2-CD1 3.96Å; H736-L764 PolarHBondContact NE2-O 2.86Å; L751-L764 HydrophobicContact CD2-CD1 4.27Å; L761-L764 HydrophobicContact CD2-CD1 3.66Å; L761-L764 HydrophobicContact CD2-CG 3.97Å; P762-L764 PolarHBondContact O-N 3.07Å; L764-T771 WeakPolarHBondContact O-CA 3.47Å; L764-P772 HydrophobicContact CB-CG 4.03Å; L764-P772 HydrophobicContact CD1-CG 4.13Å; L764-P772 VanDerWaalsContact O-CD 3.31Å; L764-P772 WeakPolarHBondContact O-CD 3.29Å | ||
| 765 | R | 85.6 | Confident | 77.9 | Confident | 104 Ų | 104 | 56.2 Ų | 56.2 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | trans | -121.9 | 132.5 | 179.5 | -64.4 | -179.2 | -174.6 | 168.6 | 8.4 | 109 | P763 T771 D798 G799 | P763-R765 HydrophobicContact CB-CG 4.36Å; P763-R765 PolarHBondContact O-N 3.44Å; R765-T771 HydrophobicContact CG-CG2 4.29Å; R765-D798 PolarHBondContact NE-O 3.46Å; R765-D798 VanDerWaalsContact NH2-CB 3.34Å; R765-D798 PolarHBondContact NH2-O 2.87Å; R765-G799 VanDerWaalsContact CZ-CA 3.41Å | ||
| 766 | D | 87.4 | Confident | 78.7 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 8% | 0.075 | 31% | 0.306 | C | S | . | . | trans | -72.1 | 175.7 | 165.2 | 73.8 | 12.7 | 0 | 0 | 0 | 111.3 | R730 R732 G768 G769 Y770 W775 | R730-D766 WeakPolarHBondContact O-CB 3.43Å; R732-D766 HydrophobicContact CG-CB 3.86Å; D766-G768 PolarHBondContact O-N 2.93Å; D766-G768 VanDerWaalsContact O-N 3.08Å; D766-G768 VanDerWaalsContact OD1-C 3.27Å; D766-G768 VanDerWaalsContact OD1-CA 3.24Å; D766-G768 WeakPolarHBondContact OD1-CA 3.36Å; D766-G768 PolarHBondContact OD1-N 2.95Å; D766-G769 PolarHBondContact O-N 3.36Å; D766-G769 PolarHBondContact OD1-N 3.45Å; D766-Y770 PolarHBondContact N-O 3.17Å; D766-Y770 PolarHBondContact OD1-N 3.2Å; D766-W775 PolarHBondContact OD2-NE1 3.1Å | ||
| 767 | H | 86.8 | Confident | 79.5 | Confident | 149 Ų | 149 | 48.6 Ų | 48.6 | 69% | 0.69 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.8 | 178.6 | -65.3 | 162.4 | 0 | 0 | 0 | 113.4 | S729 R730 G731 | S729-H767 PolarHBondContact O-CE1 3.43Å; S729-H767 PolarHBondContact O-ND1 3.41Å; R730-H767 VanDerWaalsContact C-ND1 3.28Å; R730-H767 WeakPolarHBondContact O-CB 3.36Å; R730-H767 VanDerWaalsContact O-CG 3.24Å; R730-H767 PolarHBondContact O-N 2.99Å; R730-H767 PolarHBondContact O-ND1 3.31Å; G731-H767 PolarHBondContact N-CE1 2.76Å |
| 768 | G | 82.8 | Confident | 80.6 | Confident | 42 Ų | 42 | 49 Ų | 49 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | D766 Y770 N800 | D766-G768 PolarHBondContact O-N 2.93Å; D766-G768 VanDerWaalsContact O-N 3.08Å; D766-G768 VanDerWaalsContact OD1-C 3.27Å; D766-G768 VanDerWaalsContact OD1-CA 3.24Å; D766-G768 WeakPolarHBondContact OD1-CA 3.36Å; D766-G768 PolarHBondContact OD1-N 2.95Å; G768-Y770 VanDerWaalsContact C-N 3.28Å; G768-Y770 PolarHBondContact O-N 3.5Å; G768-N800 PolarHBondContact O-ND2 2.99Å |
| 769 | G | 85.8 | Confident | 82.3 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 77 | 8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D766 N800 | D766-G769 PolarHBondContact O-N 3.36Å; D766-G769 PolarHBondContact OD1-N 3.45Å; G769-N800 WeakPolarHBondContact O-CB 3.45Å; G769-N800 PolarHBondContact O-N 3.3Å |
| 770 | Y | 88.4 | Confident | 84 | Confident | 81 Ų | 81 | 47.7 Ų | 47.7 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | trans | -80.8 | 137.1 | 177.2 | -62.6 | -79.3 | 0 | 0 | 0 | 110.5 | H736 D766 G768 H774 N800 | H736-Y770 PolarHBondContact NE2-O 2.86Å; D766-Y770 PolarHBondContact N-O 3.17Å; D766-Y770 PolarHBondContact OD1-N 3.2Å; G768-Y770 VanDerWaalsContact C-N 3.28Å; G768-Y770 PolarHBondContact O-N 3.5Å; Y770-H774 HydrophobicContact CD1-CB 3.94Å; Y770-H774 AromaticContact CD1-CD2 3.8Å; Y770-H774 AromaticContact CD1-CG 3.94Å; Y770-N800 WeakPolarHBondContact CE1-ND2 3.21Å | ||
| 771 | T | 89.8 | Confident | 85.8 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | trans | -95.5 | 165.7 | 177.1 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | L764 R765 L773 H774 W775 | L764-T771 WeakPolarHBondContact O-CA 3.47Å; R765-T771 HydrophobicContact CG-CG2 4.29Å; T771-L773 PolarHBondContact O-N 3.33Å; T771-L773 VanDerWaalsContact O-N 3.12Å; T771-L773 PolarHBondContact OG1-N 3.49Å; T771-H774 PolarHBondContact N-ND1 3.13Å; T771-H774 VanDerWaalsContact N-ND1 3.12Å; T771-H774 WeakPolarHBondContact O-CB 3.5Å; T771-H774 PolarHBondContact O-N 3.28Å; T771-H774 PolarHBondContact OG1-ND1 3.42Å; T771-W775 PolarHBondContact O-N 3.45Å | ||
| 772 | P | 89.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.7 | -32.8 | 173.6 | -26.8 | 35.1 | 0 | 0 | 0 | 113 | I735 H736 A739 L764 H774 W775 A776 L788 | I735-P772 HydrophobicContact CB-CG 4.41Å; I735-P772 HydrophobicContact CG2-CB 4.07Å; I735-P772 HydrophobicContact CG2-CG 3.75Å; H736-P772 WeakPolarHBondContact NE2-CD 3.48Å; A739-P772 HydrophobicContact CB-CB 3.81Å; A739-P772 WeakPolarHBondContact CB-O 3.39Å; L764-P772 HydrophobicContact CB-CG 4.03Å; L764-P772 HydrophobicContact CD1-CG 4.13Å; L764-P772 VanDerWaalsContact O-CD 3.31Å; L764-P772 WeakPolarHBondContact O-CD 3.29Å; P772-H774 VanDerWaalsContact C-N 3.34Å; P772-H774 PolarHBondContact O-N 2.94Å; P772-W775 PolarHBondContact O-N 3.42Å; P772-A776 PolarHBondContact O-N 2.9Å; P772-L788 HydrophobicContact CB-CD1 4.1Å; P772-L788 HydrophobicContact CB-CD2 4.14Å |
| 773 | L | 90.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -37.2 | 176.2 | -172.1 | 61.5 | 0 | 0 | 0 | 112.1 | T771 W775 C777 V785 L788 L789 P804 L820 | T771-L773 PolarHBondContact O-N 3.33Å; T771-L773 VanDerWaalsContact O-N 3.12Å; T771-L773 PolarHBondContact OG1-N 3.49Å; L773-W775 VanDerWaalsContact C-N 3.34Å; L773-W775 PolarHBondContact O-N 2.94Å; L773-C777 VanDerWaalsContact O-CB 3.29Å; L773-C777 WeakPolarHBondContact O-CB 3.16Å; L773-C777 PolarHBondContact O-N 3.1Å; L773-C777 PolarHBondContact O-SG 3.43Å; L773-V785 HydrophobicContact CD1-CB 4.48Å; L773-V785 HydrophobicContact CD1-CG1 4.11Å; L773-V785 HydrophobicContact CD1-CG2 4.35Å; L773-L788 HydrophobicContact CB-CD1 4.28Å; L773-L788 HydrophobicContact CD1-CB 4.09Å; L773-L788 HydrophobicContact CD1-CD1 4.25Å; L773-L789 HydrophobicContact CD1-CD2 4.49Å; L773-L789 HydrophobicContact CD1-CG 4.41Å; L773-L789 HydrophobicContact CD2-CD2 4.14Å; L773-P804 HydrophobicContact CB-CG 4.4Å; L773-P804 HydrophobicContact CD2-CB 4.32Å; L773-P804 HydrophobicContact CD2-CG 3.99Å; L773-P804 HydrophobicContact CG-CB 3.99Å; L773-P804 HydrophobicContact CG-CG 4Å; L773-L820 HydrophobicContact CD1-CD2 4.14Å; L773-L820 HydrophobicContact CD2-CD2 3.96Å; L773-L820 HydrophobicContact CG-CD2 4.22Å |
| 774 | H | 90.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 174.4 | -67.3 | 79.3 | 0 | 0 | 0 | 111.3 | Y770 T771 P772 C777 Y778 F802 P804 | Y770-H774 HydrophobicContact CD1-CB 3.94Å; Y770-H774 AromaticContact CD1-CD2 3.8Å; Y770-H774 AromaticContact CD1-CG 3.94Å; T771-H774 PolarHBondContact N-ND1 3.13Å; T771-H774 VanDerWaalsContact N-ND1 3.12Å; T771-H774 WeakPolarHBondContact O-CB 3.5Å; T771-H774 PolarHBondContact O-N 3.28Å; T771-H774 PolarHBondContact OG1-ND1 3.42Å; P772-H774 VanDerWaalsContact C-N 3.34Å; P772-H774 PolarHBondContact O-N 2.94Å; H774-C777 PolarHBondContact O-N 3.42Å; H774-Y778 VanDerWaalsContact O-CB 3.24Å; H774-Y778 WeakPolarHBondContact O-CB 3.28Å; H774-Y778 PolarHBondContact O-N 2.98Å; H774-F802 PolarHBondContact CD2-O 3.09Å; H774-F802 PolarHBondContact NE2-O 3.37Å; H774-F802 VanDerWaalsContact NE2-O 3.08Å; H774-P804 WeakPolarHBondContact NE2-CD 3.38Å |
| 775 | W | 91.9 | Very high | 90.4 | Very high | 44 Ų | 44 | 42 Ų | 42 | 17% | 0.167 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70 | -42 | -179.6 | -70.9 | 102.1 | 0 | 0 | 0 | 112.4 | H736 A740 D766 T771 P772 L773 C777 Y778 Y779 | H736-W775 AromaticContact CD2-CD1 3.84Å; A740-W775 HydrophobicContact CB-CB 4.05Å; D766-W775 PolarHBondContact OD2-NE1 3.1Å; T771-W775 PolarHBondContact O-N 3.45Å; P772-W775 PolarHBondContact O-N 3.42Å; L773-W775 VanDerWaalsContact C-N 3.34Å; L773-W775 PolarHBondContact O-N 2.94Å; W775-C777 VanDerWaalsContact C-N 3.34Å; W775-C777 PolarHBondContact O-N 3.4Å; W775-Y778 PolarHBondContact O-N 3.03Å; W775-Y779 HydrophobicContact CE3-CD2 4.41Å; W775-Y779 AromaticContact CE3-CE2 3.68Å; W775-Y779 HydrophobicContact CE3-CE2 3.68Å; W775-Y779 HydrophobicContact CZ3-CE2 4.06Å; W775-Y779 WeakPolarHBondContact O-CD2 3.46Å; W775-Y779 PolarHBondContact O-N 3.47Å |
| 776 | A | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A739 P772 G780 H781 C784 V785 L788 | A739-A776 HydrophobicContact CB-CB 4.19Å; A739-A776 WeakPolarHBondContact O-CA 3.28Å; P772-A776 PolarHBondContact O-N 2.9Å; A776-G780 PolarHBondContact O-N 3.31Å; A776-H781 PolarHBondContact O-N 3.2Å; A776-C784 HydrophobicContact CB-CB 3.93Å; A776-V785 HydrophobicContact CB-CG2 3.81Å; A776-L788 HydrophobicContact CB-CD1 4.23Å |
| 777 | C | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.4 | -34.2 | 178 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | L773 H774 W775 P804 C807 A808 H813 | L773-C777 VanDerWaalsContact O-CB 3.29Å; L773-C777 WeakPolarHBondContact O-CB 3.16Å; L773-C777 PolarHBondContact O-N 3.1Å; L773-C777 PolarHBondContact O-SG 3.43Å; H774-C777 PolarHBondContact O-N 3.42Å; W775-C777 VanDerWaalsContact C-N 3.34Å; W775-C777 PolarHBondContact O-N 3.4Å; C777-P804 HydrophobicContact CB-CB 4.3Å; C777-P804 WeakPolarHBondContact CB-O 3.37Å; C777-C807 HydrophobicContact CB-CB 4.25Å; C777-A808 HydrophobicContact CB-CB 4.1Å; C777-A808 WeakPolarHBondContact O-CA 3.22Å; C777-H813 PolarHBondContact O-CD2 3.29Å; C777-H813 VanDerWaalsContact O-CD2 3.28Å |
| 778 | Y | 92.5 | Very high | 90.9 | Very high | 98 Ų | 98 | 34.6 Ų | 34.6 | 38% | 0.384 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.1 | -34.8 | 178.9 | -176 | -89.1 | 0 | 0 | 0 | 112.8 | H774 W775 C807 N811 H813 | H774-Y778 VanDerWaalsContact O-CB 3.24Å; H774-Y778 WeakPolarHBondContact O-CB 3.28Å; H774-Y778 PolarHBondContact O-N 2.98Å; W775-Y778 PolarHBondContact O-N 3.03Å; Y778-C807 HydrophobicContact CD2-CB 4.36Å; Y778-N811 WeakPolarHBondContact CD2-ND2 3.48Å; Y778-N811 WeakPolarHBondContact CE2-ND2 3.18Å; Y778-N811 PolarHBondContact O-ND2 3.09Å; Y778-H813 PolarHBondContact O-NE2 3.41Å |
| 779 | Y | 93.1 | Very high | 91.1 | Very high | 115 Ų | 115 | 33.1 Ų | 33.1 | 45% | 0.451 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -98.8 | -2.7 | 179 | -68.7 | -68.4 | 0 | 0 | 0 | 114.4 | A740 W775 | A740-Y779 HydrophobicContact CB-CD2 4.03Å; A740-Y779 HydrophobicContact CB-CE2 3.97Å; A740-Y779 WeakPolarHBondContact O-CD2 3.4Å; W775-Y779 HydrophobicContact CE3-CD2 4.41Å; W775-Y779 AromaticContact CE3-CE2 3.68Å; W775-Y779 HydrophobicContact CE3-CE2 3.68Å; W775-Y779 HydrophobicContact CZ3-CE2 4.06Å; W775-Y779 WeakPolarHBondContact O-CD2 3.46Å; W775-Y779 PolarHBondContact O-N 3.47Å |
| 780 | G | 93.2 | Very high | 91 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 26% | 0.258 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 33.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A776 E782 H813 C816 | A776-G780 PolarHBondContact O-N 3.31Å; G780-E782 PolarHBondContact O-N 2.94Å; G780-H813 VanDerWaalsContact CA-CD2 3.42Å; G780-H813 WeakPolarHBondContact CA-CD2 3.23Å; G780-H813 PolarHBondContact N-CD2 3.21Å; G780-H813 VanDerWaalsContact N-CD2 3.3Å; G780-H813 PolarHBondContact N-NE2 3.24Å; G780-C816 VanDerWaalsContact C-SG 3.58Å |
| 781 | H | 95.4 | Very high | 90.5 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 25% | 0.245 | 19% | 0.191 | C | C | . | . | trans | -91.4 | 85.8 | -178.4 | -63.4 | -46.9 | 0 | 0 | 0 | 112.2 | A739 A740 G742 A776 G783 C784 V785 | A739-H781 PolarHBondContact O-CD2 3.4Å; A739-H781 VanDerWaalsContact O-CD2 3.31Å; A740-H781 PolarHBondContact O-NE2 3.42Å; A740-H781 VanDerWaalsContact O-NE2 3.16Å; G742-H781 VanDerWaalsContact CA-CG 3.45Å; G742-H781 PolarHBondContact N-CD2 2.94Å; G742-H781 VanDerWaalsContact N-CD2 3.34Å; G742-H781 PolarHBondContact N-NE2 3.35Å; A776-H781 PolarHBondContact O-N 3.2Å; H781-G783 PolarHBondContact O-N 3.49Å; H781-C784 HydrophobicContact CB-CB 4.03Å; H781-C784 WeakPolarHBondContact O-CB 3.37Å; H781-C784 PolarHBondContact O-N 3.09Å; H781-C784 VanDerWaalsContact O-N 3.13Å; H781-V785 WeakPolarHBondContact O-CG2 3.44Å; H781-V785 PolarHBondContact O-N 3.24Å; H781-V785 VanDerWaalsContact O-N 3.1Å | ||
| 782 | E | 93.6 | Very high | 89.5 | Confident | 96 Ų | 96 | 47.9 Ų | 47.9 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -50 | -55.9 | -177.1 | -171 | -177.6 | 174.7 | 0 | 0 | 113.7 | G780 C784 V785 E786 P815 L819 | G780-E782 PolarHBondContact O-N 2.94Å; E782-C784 PolarHBondContact O-N 3.39Å; E782-V785 WeakPolarHBondContact O-CA 3.28Å; E782-V785 WeakPolarHBondContact O-CB 3.42Å; E782-V785 PolarHBondContact O-N 3.44Å; E782-E786 PolarHBondContact O-N 2.89Å; E782-P815 HydrophobicContact CG-CB 4.48Å; E782-L819 HydrophobicContact CG-CD1 3.51Å |
| 783 | G | 91.3 | Very high | 88.3 | Confident | 28 Ų | 28 | 50 Ų | 50 | 29% | 0.289 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.1 | -28.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | H781 V787 | H781-G783 PolarHBondContact O-N 3.49Å; G783-V787 VanDerWaalsContact O-CG2 3.28Å; G783-V787 WeakPolarHBondContact O-CG2 3.47Å; G783-V787 PolarHBondContact O-N 2.9Å |
| 784 | C | 92.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.5 | -36.4 | 172.4 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | G742 L747 A776 H781 E782 L788 | G742-C784 VanDerWaalsContact CA-SG 3.58Å; L747-C784 HydrophobicContact CD2-CB 3.67Å; A776-C784 HydrophobicContact CB-CB 3.93Å; H781-C784 HydrophobicContact CB-CB 4.03Å; H781-C784 WeakPolarHBondContact O-CB 3.37Å; H781-C784 PolarHBondContact O-N 3.09Å; H781-C784 VanDerWaalsContact O-N 3.13Å; E782-C784 PolarHBondContact O-N 3.39Å; C784-L788 WeakPolarHBondContact O-CB 3.43Å; C784-L788 WeakPolarHBondContact O-CD1 3.45Å; C784-L788 WeakPolarHBondContact O-CG 3.47Å; C784-L788 PolarHBondContact O-N 2.91Å |
| 785 | V | 91.5 | Very high | 86 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | L773 A776 H781 E782 L788 L789 C816 L819 | L773-V785 HydrophobicContact CD1-CB 4.48Å; L773-V785 HydrophobicContact CD1-CG1 4.11Å; L773-V785 HydrophobicContact CD1-CG2 4.35Å; A776-V785 HydrophobicContact CB-CG2 3.81Å; H781-V785 WeakPolarHBondContact O-CG2 3.44Å; H781-V785 PolarHBondContact O-N 3.24Å; H781-V785 VanDerWaalsContact O-N 3.1Å; E782-V785 WeakPolarHBondContact O-CA 3.28Å; E782-V785 WeakPolarHBondContact O-CB 3.42Å; E782-V785 PolarHBondContact O-N 3.44Å; V785-L788 PolarHBondContact O-N 3.12Å; V785-L789 HydrophobicContact CG1-CD1 3.53Å; V785-L789 HydrophobicContact CG1-CG 4.2Å; V785-L789 WeakPolarHBondContact O-CB 3.22Å; V785-L789 WeakPolarHBondContact O-CG 3.27Å; V785-L789 PolarHBondContact O-N 3.42Å; V785-C816 HydrophobicContact CG2-CB 4.3Å; V785-L819 HydrophobicContact CB-CD1 4.44Å; V785-L819 HydrophobicContact CG1-CB 4.07Å; V785-L819 HydrophobicContact CG1-CD1 4.22Å |
| 786 | E | 91.3 | Very high | 84.6 | Confident | 90 Ų | 90 | 55.6 Ų | 55.6 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.4 | -55.8 | 175.4 | -67.1 | -176.8 | 152.9 | 0 | 0 | 111.8 | E782 L788 L789 E790 L819 | E782-E786 PolarHBondContact O-N 2.89Å; E786-L788 VanDerWaalsContact C-N 3.26Å; E786-L788 PolarHBondContact O-N 3.17Å; E786-L789 PolarHBondContact O-N 3.1Å; E786-E790 WeakPolarHBondContact O-CG 3.4Å; E786-E790 PolarHBondContact O-N 3.4Å; E786-L819 HydrophobicContact CG-CD1 3.58Å; E786-L819 HydrophobicContact CG-CD2 4.19Å |
| 787 | V | 89.4 | Confident | 83.2 | Confident | 22 Ų | 22 | 58 Ų | 58 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.2 | -40 | -179.7 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | L747 L751 G783 | L747-V787 HydrophobicContact CB-CG1 4.48Å; L747-V787 HydrophobicContact CD2-CG1 4.39Å; L747-V787 HydrophobicContact CG-CG1 4.24Å; L751-V787 HydrophobicContact CD1-CG1 4.11Å; G783-V787 VanDerWaalsContact O-CG2 3.28Å; G783-V787 WeakPolarHBondContact O-CG2 3.47Å; G783-V787 PolarHBondContact O-N 2.9Å |
| 788 | L | 88.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.1 | -38.1 | 177.6 | -72.4 | 167.2 | 0 | 0 | 0 | 112.3 | A739 L747 L751 P772 L773 A776 C784 V785 E786 Q791 C794 | A739-L788 HydrophobicContact CB-CD1 4.24Å; L747-L788 HydrophobicContact CD1-CD2 4.4Å; L747-L788 HydrophobicContact CD2-CD1 4Å; L747-L788 HydrophobicContact CD2-CD2 4.2Å; L747-L788 HydrophobicContact CD2-CG 3.77Å; L747-L788 HydrophobicContact CG-CD2 4.47Å; L751-L788 HydrophobicContact CD1-CD2 3.94Å; P772-L788 HydrophobicContact CB-CD1 4.1Å; P772-L788 HydrophobicContact CB-CD2 4.14Å; L773-L788 HydrophobicContact CB-CD1 4.28Å; L773-L788 HydrophobicContact CD1-CB 4.09Å; L773-L788 HydrophobicContact CD1-CD1 4.25Å; A776-L788 HydrophobicContact CB-CD1 4.23Å; C784-L788 WeakPolarHBondContact O-CB 3.43Å; C784-L788 WeakPolarHBondContact O-CD1 3.45Å; C784-L788 WeakPolarHBondContact O-CG 3.47Å; C784-L788 PolarHBondContact O-N 2.91Å; V785-L788 PolarHBondContact O-N 3.12Å; E786-L788 VanDerWaalsContact C-N 3.26Å; E786-L788 PolarHBondContact O-N 3.17Å; L788-Q791 PolarHBondContact O-N 3.14Å; L788-C794 HydrophobicContact CB-CB 4.39Å; L788-C794 HydrophobicContact CD2-CB 4.25Å; L788-C794 WeakPolarHBondContact O-CB 3.39Å |
| 789 | L | 86.7 | Confident | 80.5 | Confident | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.5 | -26.8 | -178.7 | -72.3 | 171.4 | 0 | 0 | 0 | 113.4 | L773 V785 E786 Q791 R795 L819 L820 A823 M824 | L773-L789 HydrophobicContact CD1-CD2 4.49Å; L773-L789 HydrophobicContact CD1-CG 4.41Å; L773-L789 HydrophobicContact CD2-CD2 4.14Å; V785-L789 HydrophobicContact CG1-CD1 3.53Å; V785-L789 HydrophobicContact CG1-CG 4.2Å; V785-L789 WeakPolarHBondContact O-CB 3.22Å; V785-L789 WeakPolarHBondContact O-CG 3.27Å; V785-L789 PolarHBondContact O-N 3.42Å; E786-L789 PolarHBondContact O-N 3.1Å; L789-Q791 PolarHBondContact O-N 3.22Å; L789-R795 HydrophobicContact CD2-CG 4.36Å; L789-R795 WeakPolarHBondContact O-CD 3.23Å; L789-L819 HydrophobicContact CD1-CB 4.23Å; L789-L820 HydrophobicContact CD1-CD2 4.34Å; L789-L820 HydrophobicContact CD2-CD2 4.18Å; L789-A823 HydrophobicContact CB-CB 4.23Å; L789-A823 HydrophobicContact CD1-CB 3.77Å; L789-A823 HydrophobicContact CD2-CB 3.97Å; L789-A823 HydrophobicContact CG-CB 4.22Å; L789-M824 HydrophobicContact CD2-CG 4.22Å; L789-M824 HydrophobicContact CD2-SD 4.25Å |
| 790 | E | 84.6 | Confident | 79.9 | Confident | 146 Ų | 146 | 56.6 Ų | 56.6 | 68% | 0.682 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.3 | -33.6 | 171.6 | -73 | -176.7 | 166.6 | 0 | 0 | 112 | E786 K792 | E786-E790 WeakPolarHBondContact O-CG 3.4Å; E786-E790 PolarHBondContact O-N 3.4Å; E790-K792 PolarHBondContact O-N 2.66Å |
| 791 | Q | 78.9 | Confident | 79.4 | Confident | 78 Ų | 78 | 58.5 Ų | 58.5 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -82.8 | 116.9 | -179.9 | -61.5 | -59.6 | -23 | 0 | 0 | 111.5 | L751 L788 L789 G793 C794 | L751-Q791 HydrophobicContact CD1-CG 4.24Å; L788-Q791 PolarHBondContact O-N 3.14Å; L789-Q791 PolarHBondContact O-N 3.22Å; Q791-G793 PolarHBondContact O-N 3.22Å; Q791-G793 VanDerWaalsContact O-N 3.08Å; Q791-C794 HydrophobicContact CB-CB 4.36Å; Q791-C794 PolarHBondContact O-N 3.47Å |
| 792 | K | 67 | Low | 79.1 | Confident | 189 Ų | 189 | 57.7 Ų | 57.7 | 82% | 0.822 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -56 | -31.4 | -177.9 | -68.9 | -175.4 | 179.5 | 179.1 | 0 | 113.8 | E790 C794 | E790-K792 PolarHBondContact O-N 2.66Å; K792-C794 VanDerWaalsContact C-N 3.33Å |
| 793 | G | 64.5 | Low | 78.9 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -71.5 | -22.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q791 C796 | Q791-G793 PolarHBondContact O-N 3.22Å; Q791-G793 VanDerWaalsContact O-N 3.08Å; G793-C796 PolarHBondContact O-SG 3.28Å; G793-C796 VanDerWaalsContact O-SG 3.37Å |
| 794 | C | 65.7 | Low | 78.8 | Confident | 14 Ų | 14 | 52 Ų | 52 | 10% | 0.095 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -95.9 | -4 | -174.4 | -66.5 | 0 | 0 | 0 | 0 | 113.6 | L788 Q791 K792 C796 | L788-C794 HydrophobicContact CB-CB 4.39Å; L788-C794 HydrophobicContact CD2-CB 4.25Å; L788-C794 WeakPolarHBondContact O-CB 3.39Å; Q791-C794 HydrophobicContact CB-CB 4.36Å; Q791-C794 PolarHBondContact O-N 3.47Å; K792-C794 VanDerWaalsContact C-N 3.33Å; C794-C796 PolarHBondContact O-N 3.27Å |
| 795 | R | 68.5 | Low | 78.7 | Confident | 106 Ų | 106 | 52 Ų | 52 | 40% | 0.4 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -81.5 | 4.4 | 175.8 | -63.2 | 170.8 | 85.7 | 145.2 | -6.4 | 113.5 | L789 I797 A823 M824 | L789-R795 HydrophobicContact CD2-CG 4.36Å; L789-R795 WeakPolarHBondContact O-CD 3.23Å; R795-I797 PolarHBondContact O-N 3.13Å; R795-A823 PolarHBondContact NH2-O 2.98Å; R795-M824 WeakPolarHBondContact O-CE 3.47Å |
| 796 | C | 61.4 | Low | 78.7 | Confident | 49 Ų | 49 | 52 Ų | 52 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | trans | -76.9 | 124.9 | 179.5 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | G793 C794 | G793-C796 PolarHBondContact O-SG 3.28Å; G793-C796 VanDerWaalsContact O-SG 3.37Å; C794-C796 PolarHBondContact O-N 3.27Å | ||
| 797 | I | 63.9 | Low | 78.7 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | trans | -83.6 | -7 | 172.3 | -51.1 | 173.1 | 0 | 0 | 0 | 110.3 | R795 G799 T803 M824 I828 | R795-I797 PolarHBondContact O-N 3.13Å; I797-G799 PolarHBondContact O-N 3.48Å; I797-T803 HydrophobicContact CG2-CG2 3.57Å; I797-M824 HydrophobicContact CD1-CE 3.67Å; I797-M824 HydrophobicContact CG1-CE 3.37Å; I797-I828 HydrophobicContact CD1-CB 4.48Å; I797-I828 HydrophobicContact CD1-CD1 3.98Å; I797-I828 HydrophobicContact CD1-CG1 4.05Å | ||
| 798 | D | 59.8 | Low | 78.9 | Confident | 117 Ų | 117 | 46.9 Ų | 46.9 | 63% | 0.626 | 25% | 0.254 | S | S | * | . | trans | -69.8 | 131.2 | -174.8 | -64.2 | -31.3 | 0 | 0 | 0 | 111.2 | R765 | R765-D798 PolarHBondContact NE-O 3.46Å; R765-D798 VanDerWaalsContact NH2-CB 3.34Å; R765-D798 PolarHBondContact NH2-O 2.87Å | ||
| 799 | G | 68.4 | Low | 79.1 | Confident | 43 Ų | 43 | 46.9 Ų | 46.9 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 140.4 | -75.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R765 I797 | R765-G799 VanDerWaalsContact CZ-CA 3.41Å; I797-G799 PolarHBondContact O-N 3.48Å |
| 800 | N | 81.2 | Confident | 79.4 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | trans | -102.6 | 129.4 | 177.5 | -165.1 | -48.1 | 0 | 0 | 0 | 110.1 | G768 G769 Y770 F802 | G768-N800 PolarHBondContact O-ND2 2.99Å; G769-N800 WeakPolarHBondContact O-CB 3.45Å; G769-N800 PolarHBondContact O-N 3.3Å; Y770-N800 WeakPolarHBondContact CE1-ND2 3.21Å; N800-F802 PolarHBondContact O-N 3.33Å; N800-F802 VanDerWaalsContact OD1-CB 3.3Å; N800-F802 WeakPolarHBondContact OD1-CB 3.29Å; N800-F802 PolarHBondContact OD1-N 3.42Å | ||
| 801 | P | 83.2 | Confident | 79.6 | Confident | 65 Ų | 65 | 44.3 Ų | 44.3 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -65 | -20.6 | 177.3 | 25.9 | -34 | 0 | 0 | 0 | 113.2 | T803 D833 A834 | P801-T803 PolarHBondContact O-N 3.29Å; P801-D833 WeakPolarHBondContact O-CA 3.46Å; P801-A834 HydrophobicContact CB-CB 4.35Å; P801-A834 HydrophobicContact CG-CB 3.75Å |
| 802 | F | 87.9 | Confident | 80.2 | Confident | 36 Ų | 36 | 43.8 Ų | 43.8 | 16% | 0.158 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -81.8 | 93.9 | 172.6 | -164.1 | -95.6 | 0 | 0 | 0 | 110 | H774 N800 H806 L810 D833 | H774-F802 PolarHBondContact CD2-O 3.09Å; H774-F802 PolarHBondContact NE2-O 3.37Å; H774-F802 VanDerWaalsContact NE2-O 3.08Å; N800-F802 PolarHBondContact O-N 3.33Å; N800-F802 VanDerWaalsContact OD1-CB 3.3Å; N800-F802 WeakPolarHBondContact OD1-CB 3.29Å; N800-F802 PolarHBondContact OD1-N 3.42Å; F802-H806 HydrophobicContact CD1-CB 3.81Å; F802-H806 HydrophobicContact CD2-CB 3.92Å; F802-H806 HydrophobicContact CE1-CB 3.5Å; F802-H806 VanDerWaalsContact CE1-CB 3.5Å; F802-H806 HydrophobicContact CE2-CB 3.61Å; F802-H806 HydrophobicContact CG-CB 4.03Å; F802-H806 HydrophobicContact CZ-CB 3.4Å; F802-H806 VanDerWaalsContact CZ-CB 3.4Å; F802-L810 HydrophobicContact CZ-CD2 4.25Å; F802-D833 HydrophobicContact CD2-CB 4.06Å |
| 803 | T | 89.7 | Confident | 81.5 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | trans | -66.9 | 162.4 | -170.1 | 75.4 | 0 | 0 | 0 | 0 | 113.5 | I797 P801 L805 H806 C807 C831 | I797-T803 HydrophobicContact CG2-CG2 3.57Å; P801-T803 PolarHBondContact O-N 3.29Å; T803-L805 PolarHBondContact O-N 2.75Å; T803-H806 PolarHBondContact N-ND1 2.99Å; T803-H806 WeakPolarHBondContact O-CA 3.25Å; T803-H806 WeakPolarHBondContact O-CB 3.48Å; T803-H806 PolarHBondContact O-N 2.68Å; T803-H806 PolarHBondContact OG1-ND1 3.21Å; T803-C807 PolarHBondContact O-N 3.47Å; T803-C831 HydrophobicContact CG2-CB 3.83Å | ||
| 804 | P | 89.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.4 | -31.7 | 175.7 | -24 | 33.9 | 0 | 0 | 0 | 113.4 | L773 H774 C777 H806 C807 A808 L820 | L773-P804 HydrophobicContact CB-CG 4.4Å; L773-P804 HydrophobicContact CD2-CB 4.32Å; L773-P804 HydrophobicContact CD2-CG 3.99Å; L773-P804 HydrophobicContact CG-CB 3.99Å; L773-P804 HydrophobicContact CG-CG 4Å; H774-P804 WeakPolarHBondContact NE2-CD 3.38Å; C777-P804 HydrophobicContact CB-CB 4.3Å; C777-P804 WeakPolarHBondContact CB-O 3.37Å; P804-H806 VanDerWaalsContact C-N 3.32Å; P804-H806 PolarHBondContact O-N 3.26Å; P804-C807 WeakPolarHBondContact O-CB 3.29Å; P804-C807 PolarHBondContact O-N 3.19Å; P804-C807 VanDerWaalsContact O-N 3.12Å; P804-A808 PolarHBondContact O-N 3Å; P804-L820 HydrophobicContact CB-CD1 4.08Å; P804-L820 HydrophobicContact CB-CD2 4.33Å |
| 805 | L | 91.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -37 | 175.3 | -174.9 | 65.1 | 0 | 0 | 0 | 111.6 | T803 C807 A808 V809 A817 L820 L821 I828 A829 P839 L855 | T803-L805 PolarHBondContact O-N 2.75Å; L805-C807 VanDerWaalsContact C-N 3.3Å; L805-C807 PolarHBondContact O-N 3.24Å; L805-A808 PolarHBondContact O-N 3.45Å; L805-V809 HydrophobicContact CD1-CG2 3.96Å; L805-V809 HydrophobicContact CG-CG2 4.26Å; L805-V809 WeakPolarHBondContact O-CB 3.43Å; L805-V809 VanDerWaalsContact O-CG2 3.31Å; L805-V809 WeakPolarHBondContact O-CG2 3.26Å; L805-V809 PolarHBondContact O-N 3.34Å; L805-A817 HydrophobicContact CD1-CB 3.78Å; L805-L820 HydrophobicContact CB-CD1 4.11Å; L805-L820 HydrophobicContact CD1-CB 4.41Å; L805-L820 HydrophobicContact CD1-CD1 4.18Å; L805-L821 HydrophobicContact CD1-CG 4.32Å; L805-L821 HydrophobicContact CD2-CD2 4.09Å; L805-I828 HydrophobicContact CB-CD1 3.99Å; L805-I828 HydrophobicContact CB-CG1 4.04Å; L805-I828 HydrophobicContact CD2-CB 4.5Å; L805-I828 HydrophobicContact CD2-CG1 4.23Å; L805-I828 HydrophobicContact CD2-CG2 3.82Å; L805-A829 HydrophobicContact CD2-CB 4.42Å; L805-P839 HydrophobicContact CB-CG 4.36Å; L805-P839 HydrophobicContact CD2-CB 3.89Å; L805-P839 HydrophobicContact CD2-CG 3.65Å; L805-P839 HydrophobicContact CG-CB 3.97Å; L805-P839 HydrophobicContact CG-CG 3.98Å; L805-L855 HydrophobicContact CD2-CD2 3.86Å; L805-L855 HydrophobicContact CG-CD2 4.44Å |
| 806 | H | 91.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | 172.2 | -67.2 | 86 | 0 | 0 | 0 | 111.4 | F802 T803 P804 L810 C831 R837 P839 | F802-H806 HydrophobicContact CD1-CB 3.81Å; F802-H806 HydrophobicContact CD2-CB 3.92Å; F802-H806 HydrophobicContact CE1-CB 3.5Å; F802-H806 VanDerWaalsContact CE1-CB 3.5Å; F802-H806 HydrophobicContact CE2-CB 3.61Å; F802-H806 HydrophobicContact CG-CB 4.03Å; F802-H806 HydrophobicContact CZ-CB 3.4Å; F802-H806 VanDerWaalsContact CZ-CB 3.4Å; T803-H806 PolarHBondContact N-ND1 2.99Å; T803-H806 WeakPolarHBondContact O-CA 3.25Å; T803-H806 WeakPolarHBondContact O-CB 3.48Å; T803-H806 PolarHBondContact O-N 2.68Å; T803-H806 PolarHBondContact OG1-ND1 3.21Å; P804-H806 VanDerWaalsContact C-N 3.32Å; P804-H806 PolarHBondContact O-N 3.26Å; H806-L810 WeakPolarHBondContact O-CB 3.46Å; H806-L810 PolarHBondContact O-N 3.24Å; H806-C831 PolarHBondContact CE1-O 3.1Å; H806-R837 PolarHBondContact NE2-O 3.01Å; H806-P839 WeakPolarHBondContact NE2-CD 3.41Å |
| 807 | C | 91.2 | Very high | 86.7 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 176.9 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | C777 Y778 T803 P804 L805 N811 | C777-C807 HydrophobicContact CB-CB 4.25Å; Y778-C807 HydrophobicContact CD2-CB 4.36Å; T803-C807 PolarHBondContact O-N 3.47Å; P804-C807 WeakPolarHBondContact O-CB 3.29Å; P804-C807 PolarHBondContact O-N 3.19Å; P804-C807 VanDerWaalsContact O-N 3.12Å; L805-C807 VanDerWaalsContact C-N 3.3Å; L805-C807 PolarHBondContact O-N 3.24Å; C807-N811 PolarHBondContact O-ND2 3.5Å |
| 808 | A | 93.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.5 | -49.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C777 P804 L805 L810 N811 D812 H813 C816 A817 L820 | C777-A808 HydrophobicContact CB-CB 4.1Å; C777-A808 WeakPolarHBondContact O-CA 3.22Å; P804-A808 PolarHBondContact O-N 3Å; L805-A808 PolarHBondContact O-N 3.45Å; A808-L810 PolarHBondContact O-N 3.47Å; A808-N811 PolarHBondContact O-N 3.43Å; A808-D812 PolarHBondContact O-N 3.21Å; A808-H813 HydrophobicContact CB-CB 4.35Å; A808-H813 PolarHBondContact O-N 3.27Å; A808-C816 HydrophobicContact CB-CB 4.19Å; A808-A817 HydrophobicContact CB-CB 4.14Å; A808-L820 HydrophobicContact CB-CD1 4.47Å |
| 809 | V | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.3 | -30.3 | -175.7 | 169.1 | 0 | 0 | 0 | 0 | 112.5 | L805 N811 A817 P839 A843 H848 C851 L855 | L805-V809 HydrophobicContact CD1-CG2 3.96Å; L805-V809 HydrophobicContact CG-CG2 4.26Å; L805-V809 WeakPolarHBondContact O-CB 3.43Å; L805-V809 VanDerWaalsContact O-CG2 3.31Å; L805-V809 WeakPolarHBondContact O-CG2 3.26Å; L805-V809 PolarHBondContact O-N 3.34Å; V809-N811 VanDerWaalsContact C-N 3.29Å; V809-N811 PolarHBondContact O-N 2.88Å; V809-A817 HydrophobicContact CG2-CB 4Å; V809-P839 WeakPolarHBondContact CG1-O 3.43Å; V809-A843 HydrophobicContact CG1-CB 3.21Å; V809-H848 PolarHBondContact O-CD2 3.22Å; V809-H848 VanDerWaalsContact O-CD2 3.29Å; V809-C851 HydrophobicContact CB-CB 4.49Å; V809-C851 HydrophobicContact CG1-CB 3.98Å; V809-C851 HydrophobicContact CG2-CB 4.35Å; V809-L855 HydrophobicContact CG1-CD1 4Å; V809-L855 HydrophobicContact CG2-CD1 4.16Å; V809-L855 HydrophobicContact CG2-CG 4.47Å |
| 810 | L | 91.6 | Very high | 90.6 | Very high | 48 Ų | 48 | 25.5 Ų | 25.5 | 25% | 0.251 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -66 | -30.7 | 178.1 | -174 | 75.6 | 0 | 0 | 0 | 112.9 | F802 H806 A808 A842 S846 H848 | F802-L810 HydrophobicContact CZ-CD2 4.25Å; H806-L810 WeakPolarHBondContact O-CB 3.46Å; H806-L810 PolarHBondContact O-N 3.24Å; A808-L810 PolarHBondContact O-N 3.47Å; L810-A842 HydrophobicContact CD1-CB 4.23Å; L810-S846 WeakPolarHBondContact CD1-OG 3.46Å; L810-S846 PolarHBondContact O-OG 3.29Å; L810-H848 PolarHBondContact O-CD2 2.9Å; L810-H848 PolarHBondContact O-NE2 3.36Å; L810-H848 VanDerWaalsContact O-NE2 3.15Å |
| 811 | N | 89.4 | Confident | 91 | Very high | 56 Ų | 56 | 24.6 Ų | 24.6 | 30% | 0.299 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 13.7 | -175.3 | -66.2 | -69 | 0 | 0 | 0 | 114 | Y778 C807 A808 V809 | Y778-N811 WeakPolarHBondContact CD2-ND2 3.48Å; Y778-N811 WeakPolarHBondContact CE2-ND2 3.18Å; Y778-N811 PolarHBondContact O-ND2 3.09Å; C807-N811 PolarHBondContact O-ND2 3.5Å; A808-N811 PolarHBondContact O-N 3.43Å; V809-N811 VanDerWaalsContact C-N 3.29Å; V809-N811 PolarHBondContact O-N 2.88Å |
| 812 | D | 91.5 | Very high | 91.2 | Very high | 67 Ų | 67 | 28 Ų | 28 | 36% | 0.358 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 34 | 178.4 | -140.1 | 2.4 | 0 | 0 | 0 | 116 | A808 E814 H848 | A808-D812 PolarHBondContact O-N 3.21Å; D812-E814 PolarHBondContact O-N 3.48Å; D812-H848 HydrophobicContact CB-CB 4.42Å; D812-H848 VanDerWaalsContact CB-ND1 3.35Å; D812-H848 WeakPolarHBondContact CB-ND1 3.33Å; D812-H848 VanDerWaalsContact CG-CG 3.48Å; D812-H848 WeakPolarHBondContact OD1-CB 3.44Å; D812-H848 IonicContact OD1-CG 3.85Å; D812-H848 IonicContact OD1-ND1 3.35Å; D812-H848 IonicContact OD2-CE1 3.74Å; D812-H848 IonicContact OD2-CG 3.73Å; D812-H848 IonicContact OD2-ND1 3.54Å; D812-H848 PolarHBondContact OD2-ND1 3.33Å |
| 813 | H | 94.5 | Very high | 91.1 | Very high | 48 Ų | 48 | 27.6 Ų | 27.6 | 22% | 0.222 | 15% | 0.148 | C | C | . | . | trans | -93.9 | 68.9 | 177.4 | -59.7 | -40.9 | 0 | 0 | 0 | 110.9 | C777 Y778 G780 A808 C816 A817 | C777-H813 PolarHBondContact O-CD2 3.29Å; C777-H813 VanDerWaalsContact O-CD2 3.28Å; Y778-H813 PolarHBondContact O-NE2 3.41Å; G780-H813 VanDerWaalsContact CA-CD2 3.42Å; G780-H813 WeakPolarHBondContact CA-CD2 3.23Å; G780-H813 PolarHBondContact N-CD2 3.21Å; G780-H813 VanDerWaalsContact N-CD2 3.3Å; G780-H813 PolarHBondContact N-NE2 3.24Å; A808-H813 HydrophobicContact CB-CB 4.35Å; A808-H813 PolarHBondContact O-N 3.27Å; H813-C816 HydrophobicContact CB-CB 4.13Å; H813-C816 PolarHBondContact O-N 2.87Å; H813-A817 PolarHBondContact O-N 2.8Å | ||
| 814 | E | 92.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 29.1 Ų | 29.1 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -55.4 | -45.5 | -178.7 | -177.1 | -88.2 | 141.4 | 0 | 0 | 113.5 | D812 C816 A817 S818 D850 L854 | D812-E814 PolarHBondContact O-N 3.48Å; E814-C816 PolarHBondContact O-N 2.93Å; E814-A817 WeakPolarHBondContact O-CB 3.34Å; E814-A817 PolarHBondContact O-N 3.43Å; E814-A817 VanDerWaalsContact O-N 3.09Å; E814-S818 PolarHBondContact O-N 3.49Å; E814-D850 HydrophobicContact CG-CB 4.38Å; E814-L854 HydrophobicContact CG-CD2 4.05Å |
| 815 | P | 92.9 | Very high | 90.2 | Very high | 55 Ų | 55 | 30.5 Ų | 30.5 | 36% | 0.357 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 176.5 | -25.8 | 35.4 | 0 | 0 | 0 | 113.4 | E782 A817 S818 L819 | E782-P815 HydrophobicContact CG-CB 4.48Å; P815-A817 VanDerWaalsContact C-N 3.33Å; P815-A817 PolarHBondContact O-N 3.1Å; P815-S818 PolarHBondContact O-N 2.99Å; P815-L819 WeakPolarHBondContact O-CG 3.36Å; P815-L819 PolarHBondContact O-N 3.33Å |
| 816 | C | 92.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -39 | 175.4 | -64.7 | 0 | 0 | 0 | 0 | 111.6 | G780 V785 A808 H813 E814 L820 | G780-C816 VanDerWaalsContact C-SG 3.58Å; V785-C816 HydrophobicContact CG2-CB 4.3Å; A808-C816 HydrophobicContact CB-CB 4.19Å; H813-C816 HydrophobicContact CB-CB 4.13Å; H813-C816 PolarHBondContact O-N 2.87Å; E814-C816 PolarHBondContact O-N 2.93Å; C816-L820 VanDerWaalsContact O-CG 3.28Å; C816-L820 WeakPolarHBondContact O-CG 3.42Å; C816-L820 PolarHBondContact O-N 3.18Å; C816-L820 VanDerWaalsContact O-N 3.1Å |
| 817 | A | 91.5 | Very high | 89 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L805 A808 V809 H813 E814 P815 L820 L821 L854 | L805-A817 HydrophobicContact CD1-CB 3.78Å; A808-A817 HydrophobicContact CB-CB 4.14Å; V809-A817 HydrophobicContact CG2-CB 4Å; H813-A817 PolarHBondContact O-N 2.8Å; E814-A817 WeakPolarHBondContact O-CB 3.34Å; E814-A817 PolarHBondContact O-N 3.43Å; E814-A817 VanDerWaalsContact O-N 3.09Å; P815-A817 VanDerWaalsContact C-N 3.33Å; P815-A817 PolarHBondContact O-N 3.1Å; A817-L820 PolarHBondContact O-N 3.27Å; A817-L821 WeakPolarHBondContact O-CB 3.27Å; A817-L821 WeakPolarHBondContact O-CD1 3.22Å; A817-L821 VanDerWaalsContact O-CG 3.31Å; A817-L821 WeakPolarHBondContact O-CG 3.48Å; A817-L821 PolarHBondContact O-N 3.15Å; A817-L854 HydrophobicContact CB-CD2 3.84Å |
| 818 | S | 93.3 | Very high | 88.6 | Confident | 22 Ų | 22 | 39.7 Ų | 39.7 | 15% | 0.154 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -50 | 176.2 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | E814 P815 L820 L821 E822 | E814-S818 PolarHBondContact O-N 3.49Å; P815-S818 PolarHBondContact O-N 2.99Å; S818-L820 VanDerWaalsContact C-N 3.3Å; S818-L820 PolarHBondContact O-N 3.46Å; S818-L821 PolarHBondContact O-N 2.94Å; S818-L821 VanDerWaalsContact O-N 3.09Å; S818-E822 WeakPolarHBondContact O-CB 3.45Å; S818-E822 WeakPolarHBondContact O-CG 3.49Å; S818-E822 PolarHBondContact O-N 3.42Å; S818-E822 PolarHBondContact OG-OE1 2.89Å |
| 819 | L | 91.2 | Very high | 88.1 | Confident | 29 Ų | 29 | 39.7 Ų | 39.7 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -41 | 177.3 | -71.2 | 175.3 | 0 | 0 | 0 | 112.6 | E782 V785 E786 L789 P815 A823 | E782-L819 HydrophobicContact CG-CD1 3.51Å; V785-L819 HydrophobicContact CB-CD1 4.44Å; V785-L819 HydrophobicContact CG1-CB 4.07Å; V785-L819 HydrophobicContact CG1-CD1 4.22Å; E786-L819 HydrophobicContact CG-CD1 3.58Å; E786-L819 HydrophobicContact CG-CD2 4.19Å; L789-L819 HydrophobicContact CD1-CB 4.23Å; P815-L819 WeakPolarHBondContact O-CG 3.36Å; P815-L819 PolarHBondContact O-N 3.33Å; L819-A823 VanDerWaalsContact O-CB 3.25Å; L819-A823 WeakPolarHBondContact O-CB 3.38Å; L819-A823 PolarHBondContact O-N 3.38Å |
| 820 | L | 89.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 175.3 | -74.5 | 174.2 | 0 | 0 | 0 | 112.1 | L773 L789 P804 L805 A808 C816 A817 S818 A823 M824 | L773-L820 HydrophobicContact CD1-CD2 4.14Å; L773-L820 HydrophobicContact CD2-CD2 3.96Å; L773-L820 HydrophobicContact CG-CD2 4.22Å; L789-L820 HydrophobicContact CD1-CD2 4.34Å; L789-L820 HydrophobicContact CD2-CD2 4.18Å; P804-L820 HydrophobicContact CB-CD1 4.08Å; P804-L820 HydrophobicContact CB-CD2 4.33Å; L805-L820 HydrophobicContact CB-CD1 4.11Å; L805-L820 HydrophobicContact CD1-CB 4.41Å; L805-L820 HydrophobicContact CD1-CD1 4.18Å; A808-L820 HydrophobicContact CB-CD1 4.47Å; C816-L820 VanDerWaalsContact O-CG 3.28Å; C816-L820 WeakPolarHBondContact O-CG 3.42Å; C816-L820 PolarHBondContact O-N 3.18Å; C816-L820 VanDerWaalsContact O-N 3.1Å; A817-L820 PolarHBondContact O-N 3.27Å; S818-L820 VanDerWaalsContact C-N 3.3Å; S818-L820 PolarHBondContact O-N 3.46Å; L820-A823 PolarHBondContact O-N 3.31Å; L820-M824 HydrophobicContact CD2-SD 3.96Å; L820-M824 WeakPolarHBondContact O-CA 3.42Å; L820-M824 WeakPolarHBondContact O-CB 3.37Å; L820-M824 WeakPolarHBondContact O-CG 3.37Å; L820-M824 PolarHBondContact O-N 3.36Å |
| 821 | L | 89.4 | Confident | 87.4 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68 | -39.9 | -179.9 | -73.8 | 164 | 0 | 0 | 0 | 111.7 | L805 A817 S818 G825 I828 A829 L854 L855 H858 | L805-L821 HydrophobicContact CD1-CG 4.32Å; L805-L821 HydrophobicContact CD2-CD2 4.09Å; A817-L821 WeakPolarHBondContact O-CB 3.27Å; A817-L821 WeakPolarHBondContact O-CD1 3.22Å; A817-L821 VanDerWaalsContact O-CG 3.31Å; A817-L821 WeakPolarHBondContact O-CG 3.48Å; A817-L821 PolarHBondContact O-N 3.15Å; S818-L821 PolarHBondContact O-N 2.94Å; S818-L821 VanDerWaalsContact O-N 3.09Å; L821-G825 CarbonylContact O-C 3.52Å; L821-G825 VanDerWaalsContact O-CA 3.29Å; L821-G825 WeakPolarHBondContact O-CA 3.35Å; L821-G825 PolarHBondContact O-N 3.47Å; L821-I828 HydrophobicContact CD2-CG2 3.88Å; L821-A829 HydrophobicContact CD2-CB 4.06Å; L821-L854 HydrophobicContact CD1-CD2 4.1Å; L821-L854 HydrophobicContact CD1-CG 3.98Å; L821-L855 HydrophobicContact CD1-CD2 4.32Å; L821-H858 HydrophobicContact CD1-CB 4.29Å; L821-H858 HydrophobicContact CD2-CB 4.17Å |
| 822 | E | 88.1 | Confident | 87.2 | Confident | 136 Ų | 136 | 41.6 Ų | 41.6 | 64% | 0.636 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 175 | -73.2 | 176 | -156.6 | 0 | 0 | 111.9 | S818 | S818-E822 WeakPolarHBondContact O-CB 3.45Å; S818-E822 WeakPolarHBondContact O-CG 3.49Å; S818-E822 PolarHBondContact O-N 3.42Å; S818-E822 PolarHBondContact OG-OE1 2.89Å |
| 823 | A | 84.9 | Confident | 87.1 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 22% | 0.223 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -79.2 | -39 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L789 R795 L819 L820 | L789-A823 HydrophobicContact CB-CB 4.23Å; L789-A823 HydrophobicContact CD1-CB 3.77Å; L789-A823 HydrophobicContact CD2-CB 3.97Å; L789-A823 HydrophobicContact CG-CB 4.22Å; R795-A823 PolarHBondContact NH2-O 2.98Å; L819-A823 VanDerWaalsContact O-CB 3.25Å; L819-A823 WeakPolarHBondContact O-CB 3.38Å; L819-A823 PolarHBondContact O-N 3.38Å; L820-A823 PolarHBondContact O-N 3.31Å |
| 824 | M | 81.3 | Confident | 86.7 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 18% | 0.177 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -101.9 | -8.1 | -170.6 | -51.4 | -171.9 | 76.8 | 0 | 0 | 113.3 | L789 R795 I797 L820 I828 | L789-M824 HydrophobicContact CD2-CG 4.22Å; L789-M824 HydrophobicContact CD2-SD 4.25Å; R795-M824 WeakPolarHBondContact O-CE 3.47Å; I797-M824 HydrophobicContact CD1-CE 3.67Å; I797-M824 HydrophobicContact CG1-CE 3.37Å; L820-M824 HydrophobicContact CD2-SD 3.96Å; L820-M824 WeakPolarHBondContact O-CA 3.42Å; L820-M824 WeakPolarHBondContact O-CB 3.37Å; L820-M824 WeakPolarHBondContact O-CG 3.37Å; L820-M824 PolarHBondContact O-N 3.36Å; M824-I828 HydrophobicContact CB-CB 4.49Å; M824-I828 HydrophobicContact CB-CD1 4.4Å; M824-I828 HydrophobicContact CB-CG2 4.38Å; M824-I828 HydrophobicContact CE-CD1 4.31Å; M824-I828 HydrophobicContact SD-CD1 3.63Å |
| 825 | G | 80.4 | Confident | 86.4 | Confident | 30 Ų | 30 | 42 Ų | 42 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | trans | 79.8 | 176.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | L821 D827 I828 | L821-G825 CarbonylContact O-C 3.52Å; L821-G825 VanDerWaalsContact O-CA 3.29Å; L821-G825 WeakPolarHBondContact O-CA 3.35Å; L821-G825 PolarHBondContact O-N 3.47Å; G825-D827 PolarHBondContact O-N 2.98Å; G825-I828 VanDerWaalsContact O-CG2 3.3Å; G825-I828 WeakPolarHBondContact O-CG2 3.5Å | ||
| 826 | S | 77.1 | Confident | 86.1 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -69.4 | -15.1 | -178.4 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | I828 A829 H858 | S826-I828 PolarHBondContact O-N 3.07Å; S826-A829 WeakPolarHBondContact O-CB 3.29Å; S826-A829 PolarHBondContact O-N 2.88Å; S826-H858 VanDerWaalsContact CB-O 3.25Å; S826-H858 WeakPolarHBondContact CB-O 3.49Å |
| 827 | D | 79.1 | Confident | 86 | Confident | 138 Ų | 138 | 43.3 Ų | 43.3 | 74% | 0.738 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -58.6 | -33.2 | 179.4 | -68.2 | -25.9 | 0 | 0 | 0 | 112.5 | G825 A829 G830 | G825-D827 PolarHBondContact O-N 2.98Å; D827-A829 VanDerWaalsContact C-N 3.28Å; D827-A829 PolarHBondContact O-N 3.12Å; D827-G830 PolarHBondContact O-N 3.26Å |
| 828 | I | 83.2 | Confident | 86 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -68.2 | -26.8 | 178.8 | -165.4 | 169.5 | 0 | 0 | 0 | 112.8 | I797 L805 L821 M824 G825 S826 G830 C831 | I797-I828 HydrophobicContact CD1-CB 4.48Å; I797-I828 HydrophobicContact CD1-CD1 3.98Å; I797-I828 HydrophobicContact CD1-CG1 4.05Å; L805-I828 HydrophobicContact CB-CD1 3.99Å; L805-I828 HydrophobicContact CB-CG1 4.04Å; L805-I828 HydrophobicContact CD2-CB 4.5Å; L805-I828 HydrophobicContact CD2-CG1 4.23Å; L805-I828 HydrophobicContact CD2-CG2 3.82Å; L821-I828 HydrophobicContact CD2-CG2 3.88Å; M824-I828 HydrophobicContact CB-CB 4.49Å; M824-I828 HydrophobicContact CB-CD1 4.4Å; M824-I828 HydrophobicContact CB-CG2 4.38Å; M824-I828 HydrophobicContact CE-CD1 4.31Å; M824-I828 HydrophobicContact SD-CD1 3.63Å; G825-I828 VanDerWaalsContact O-CG2 3.3Å; G825-I828 WeakPolarHBondContact O-CG2 3.5Å; S826-I828 PolarHBondContact O-N 3.07Å; I828-G830 PolarHBondContact O-N 3.48Å; I828-C831 WeakPolarHBondContact O-CB 3.29Å; I828-C831 PolarHBondContact O-N 2.8Å |
| 829 | A | 83.3 | Confident | 86 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -70.4 | -22.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L805 L821 S826 D827 P839 L855 A860 | L805-A829 HydrophobicContact CD2-CB 4.42Å; L821-A829 HydrophobicContact CD2-CB 4.06Å; S826-A829 WeakPolarHBondContact O-CB 3.29Å; S826-A829 PolarHBondContact O-N 2.88Å; D827-A829 VanDerWaalsContact C-N 3.28Å; D827-A829 PolarHBondContact O-N 3.12Å; A829-P839 WeakPolarHBondContact O-CD 3.29Å; A829-L855 HydrophobicContact CB-CD2 4.24Å; A829-A860 HydrophobicContact CB-CB 3.93Å |
| 830 | G | 82.3 | Confident | 86 | Confident | 39 Ų | 39 | 41 Ų | 41 | 40% | 0.402 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -90.8 | -8.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D827 I828 | D827-G830 PolarHBondContact O-N 3.26Å; I828-G830 PolarHBondContact O-N 3.48Å |
| 831 | C | 86.6 | Confident | 86.2 | Confident | 38 Ų | 38 | 41.1 Ų | 41.1 | 26% | 0.257 | 25% | 0.25 | S | C | . | . | trans | -63.6 | 137.1 | -179.5 | -70.1 | 0 | 0 | 0 | 0 | 111.4 | T803 H806 I828 T838 P839 | T803-C831 HydrophobicContact CG2-CB 3.83Å; H806-C831 PolarHBondContact CE1-O 3.1Å; I828-C831 WeakPolarHBondContact O-CB 3.29Å; I828-C831 PolarHBondContact O-N 2.8Å; C831-T838 WeakPolarHBondContact O-CA 3.46Å; C831-P839 VanDerWaalsContact O-CD 3.31Å; C831-P839 WeakPolarHBondContact O-CD 3.39Å | ||
| 832 | S | 86.6 | Confident | 86.3 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 48% | 0.476 | 25% | 0.254 | S | S | . | . | trans | -108.1 | 138.9 | 177.8 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | R837 | S832-R837 CarbonylContact C-O 3.58Å; S832-R837 VanDerWaalsContact CA-O 3.29Å; S832-R837 WeakPolarHBondContact CA-O 3.42Å | ||
| 833 | D | 88 | Confident | 86.6 | Confident | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | trans | -70.3 | -177.5 | 172.3 | 81.3 | -6.7 | 0 | 0 | 0 | 113.4 | P801 F802 K835 G836 R837 | P801-D833 WeakPolarHBondContact O-CA 3.46Å; F802-D833 HydrophobicContact CD2-CB 4.06Å; D833-K835 PolarHBondContact O-N 2.85Å; D833-K835 VanDerWaalsContact OD1-CA 3.29Å; D833-K835 WeakPolarHBondContact OD1-CA 3.31Å; D833-K835 WeakPolarHBondContact OD1-CB 3.25Å; D833-K835 PolarHBondContact OD1-N 3.07Å; D833-G836 PolarHBondContact O-N 3.39Å; D833-G836 PolarHBondContact OD1-N 3.16Å; D833-G836 VanDerWaalsContact OD1-N 3.13Å; D833-R837 PolarHBondContact N-O 3.13Å; D833-R837 WeakPolarHBondContact OD1-CB 3.15Å; D833-R837 PolarHBondContact OD1-N 3.33Å; D833-R837 IonicContact OD1-NE 3.76Å; D833-R837 IonicContact OD2-CZ 3.92Å; D833-R837 IonicContact OD2-NE 3.6Å; D833-R837 PolarHBondContact OD2-NE 3.47Å; D833-R837 IonicContact OD2-NH2 3.11Å; D833-R837 PolarHBondContact OD2-NH2 3.38Å | ||
| 834 | A | 86.4 | Confident | 86.9 | Confident | 67 Ų | 67 | 33.7 Ų | 33.7 | 55% | 0.554 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P801 Q867 | P801-A834 HydrophobicContact CB-CB 4.35Å; P801-A834 HydrophobicContact CG-CB 3.75Å; A834-Q867 PolarHBondContact O-NE2 3.11Å |
| 835 | K | 86 | Confident | 87.4 | Confident | 120 Ų | 120 | 36 Ų | 36 | 52% | 0.522 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 7.9 | 177.6 | -63.2 | -176.5 | -179 | 178 | 0 | 112.4 | D833 R837 Q867 | D833-K835 PolarHBondContact O-N 2.85Å; D833-K835 VanDerWaalsContact OD1-CA 3.29Å; D833-K835 WeakPolarHBondContact OD1-CA 3.31Å; D833-K835 WeakPolarHBondContact OD1-CB 3.25Å; D833-K835 PolarHBondContact OD1-N 3.07Å; K835-R837 VanDerWaalsContact C-N 3.3Å; K835-R837 HydrophobicContact CB-CG 4.17Å; K835-Q867 VanDerWaalsContact O-CB 3.3Å; K835-Q867 WeakPolarHBondContact O-CB 3.28Å; K835-Q867 VanDerWaalsContact O-CG 3.26Å; K835-Q867 WeakPolarHBondContact O-CG 3.46Å; K835-Q867 PolarHBondContact O-N 2.84Å |
| 836 | G | 86.6 | Confident | 87.9 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 19% | 0.186 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 76.8 | 12.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | D833 | D833-G836 PolarHBondContact O-N 3.39Å; D833-G836 PolarHBondContact OD1-N 3.16Å; D833-G836 VanDerWaalsContact OD1-N 3.13Å |
| 837 | R | 90.6 | Very high | 88.5 | Confident | 68 Ų | 68 | 33.8 Ų | 33.8 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | trans | -87.4 | 134.3 | -177.8 | -58.9 | 177.4 | -66.3 | 172.7 | 3.3 | 109.9 | H806 S832 D833 K835 H841 D866 M875 | H806-R837 PolarHBondContact NE2-O 3.01Å; S832-R837 CarbonylContact C-O 3.58Å; S832-R837 VanDerWaalsContact CA-O 3.29Å; S832-R837 WeakPolarHBondContact CA-O 3.42Å; D833-R837 PolarHBondContact N-O 3.13Å; D833-R837 WeakPolarHBondContact OD1-CB 3.15Å; D833-R837 PolarHBondContact OD1-N 3.33Å; D833-R837 IonicContact OD1-NE 3.76Å; D833-R837 IonicContact OD2-CZ 3.92Å; D833-R837 IonicContact OD2-NE 3.6Å; D833-R837 PolarHBondContact OD2-NE 3.47Å; D833-R837 IonicContact OD2-NH2 3.11Å; D833-R837 PolarHBondContact OD2-NH2 3.38Å; K835-R837 VanDerWaalsContact C-N 3.3Å; K835-R837 HydrophobicContact CB-CG 4.17Å; R837-H841 HydrophobicContact CB-CB 3.97Å; R837-D866 HydrophobicContact CG-CB 3.78Å; R837-M875 HydrophobicContact CG-CE 4.03Å | ||
| 838 | T | 92.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | trans | -88.3 | 167.4 | 174 | 67 | 0 | 0 | 0 | 0 | 111.4 | C831 L840 H841 A842 P864 | C831-T838 WeakPolarHBondContact O-CA 3.46Å; T838-L840 PolarHBondContact O-N 3.01Å; T838-L840 VanDerWaalsContact O-N 3.17Å; T838-H841 PolarHBondContact N-ND1 2.96Å; T838-H841 VanDerWaalsContact N-ND1 3.14Å; T838-H841 WeakPolarHBondContact O-CA 3.37Å; T838-H841 VanDerWaalsContact O-CB 3.26Å; T838-H841 WeakPolarHBondContact O-CB 3.44Å; T838-H841 PolarHBondContact O-N 3.39Å; T838-H841 PolarHBondContact OG1-ND1 3.45Å; T838-A842 PolarHBondContact O-N 3.16Å; T838-P864 HydrophobicContact CG2-CB 4.24Å; T838-P864 HydrophobicContact CG2-CG 4.35Å | ||
| 839 | P | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.5 | -33.4 | 172.7 | -28.2 | 35.6 | 0 | 0 | 0 | 112.9 | L805 H806 V809 A829 C831 H841 A842 A843 L855 | L805-P839 HydrophobicContact CB-CG 4.36Å; L805-P839 HydrophobicContact CD2-CB 3.89Å; L805-P839 HydrophobicContact CD2-CG 3.65Å; L805-P839 HydrophobicContact CG-CB 3.97Å; L805-P839 HydrophobicContact CG-CG 3.98Å; H806-P839 WeakPolarHBondContact NE2-CD 3.41Å; V809-P839 WeakPolarHBondContact CG1-O 3.43Å; A829-P839 WeakPolarHBondContact O-CD 3.29Å; C831-P839 VanDerWaalsContact O-CD 3.31Å; C831-P839 WeakPolarHBondContact O-CD 3.39Å; P839-H841 VanDerWaalsContact C-N 3.3Å; P839-H841 PolarHBondContact O-N 3.15Å; P839-A842 WeakPolarHBondContact O-CB 3.38Å; P839-A842 PolarHBondContact O-N 3.26Å; P839-A842 VanDerWaalsContact O-N 3.11Å; P839-A843 PolarHBondContact O-N 3.11Å; P839-L855 HydrophobicContact CB-CD1 4.1Å; P839-L855 HydrophobicContact CB-CD2 4.14Å |
| 840 | L | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -34.8 | 175.2 | -168.4 | 67 | 0 | 0 | 0 | 112.4 | T838 A843 A844 I852 L855 P861 V862 A872 L888 | T838-L840 PolarHBondContact O-N 3.01Å; T838-L840 VanDerWaalsContact O-N 3.17Å; L840-A843 PolarHBondContact O-N 3.36Å; L840-A844 WeakPolarHBondContact O-CB 3.4Å; L840-A844 PolarHBondContact O-N 3.12Å; L840-I852 HydrophobicContact CD1-CB 4.5Å; L840-I852 HydrophobicContact CD1-CG1 4.39Å; L840-I852 HydrophobicContact CD1-CG2 4.05Å; L840-L855 HydrophobicContact CB-CD1 4.33Å; L840-L855 HydrophobicContact CD1-CB 4.25Å; L840-L855 HydrophobicContact CD1-CD1 4.15Å; L840-P861 WeakPolarHBondContact CD2-O 3.47Å; L840-V862 HydrophobicContact CD2-CB 4.48Å; L840-A872 HydrophobicContact CD2-CB 4.1Å; L840-A872 HydrophobicContact CG-CB 3.9Å; L840-L888 HydrophobicContact CD1-CD2 4.37Å; L840-L888 HydrophobicContact CD2-CD2 4.38Å |
| 841 | H | 92.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 171.9 | -69.7 | 84.3 | 0 | 0 | 0 | 111.7 | R837 T838 P839 F845 P864 R870 A872 M875 | R837-H841 HydrophobicContact CB-CB 3.97Å; T838-H841 PolarHBondContact N-ND1 2.96Å; T838-H841 VanDerWaalsContact N-ND1 3.14Å; T838-H841 WeakPolarHBondContact O-CA 3.37Å; T838-H841 VanDerWaalsContact O-CB 3.26Å; T838-H841 WeakPolarHBondContact O-CB 3.44Å; T838-H841 PolarHBondContact O-N 3.39Å; T838-H841 PolarHBondContact OG1-ND1 3.45Å; P839-H841 VanDerWaalsContact C-N 3.3Å; P839-H841 PolarHBondContact O-N 3.15Å; H841-F845 VanDerWaalsContact O-CB 3.23Å; H841-F845 WeakPolarHBondContact O-CB 3.47Å; H841-F845 PolarHBondContact O-N 3.01Å; H841-P864 PolarHBondContact CE1-O 2.96Å; H841-P864 PolarHBondContact NE2-O 3.29Å; H841-R870 PolarHBondContact NE2-O 3.49Å; H841-A872 PolarHBondContact CD2-N 3.41Å; H841-A872 PolarHBondContact NE2-N 3.03Å; H841-M875 HydrophobicContact CB-CE 4.33Å; H841-M875 HydrophobicContact CB-SD 3.78Å |
| 842 | A | 92.1 | Very high | 90.7 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L810 T838 P839 F845 S846 | L810-A842 HydrophobicContact CD1-CB 4.23Å; T838-A842 PolarHBondContact O-N 3.16Å; P839-A842 WeakPolarHBondContact O-CB 3.38Å; P839-A842 PolarHBondContact O-N 3.26Å; P839-A842 VanDerWaalsContact O-N 3.11Å; A842-F845 PolarHBondContact O-N 3.47Å; A842-S846 PolarHBondContact O-N 3.17Å; A842-S846 VanDerWaalsContact O-N 3.09Å |
| 843 | A | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -48.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V809 P839 L840 F845 S846 G847 H848 I852 L855 | V809-A843 HydrophobicContact CG1-CB 3.21Å; P839-A843 PolarHBondContact O-N 3.11Å; L840-A843 PolarHBondContact O-N 3.36Å; A843-F845 VanDerWaalsContact C-N 3.34Å; A843-F845 PolarHBondContact O-N 3.28Å; A843-S846 PolarHBondContact O-N 3.4Å; A843-G847 WeakPolarHBondContact O-CA 3.31Å; A843-G847 PolarHBondContact O-N 3.19Å; A843-H848 PolarHBondContact O-N 3.17Å; A843-I852 HydrophobicContact CB-CD1 4.37Å; A843-I852 HydrophobicContact CB-CG1 3.49Å; A843-I852 VanDerWaalsContact CB-CG1 3.49Å; A843-L855 HydrophobicContact CB-CD1 4.13Å |
| 844 | A | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.1 | -33.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L840 A872 A876 L888 | L840-A844 WeakPolarHBondContact O-CB 3.4Å; L840-A844 PolarHBondContact O-N 3.12Å; A844-A872 HydrophobicContact CB-CB 3.94Å; A844-A872 VanDerWaalsContact CB-O 3.29Å; A844-A872 WeakPolarHBondContact CB-O 3.34Å; A844-A876 HydrophobicContact CB-CB 4.23Å; A844-L888 HydrophobicContact CB-CD1 4.2Å |
| 845 | F | 92.1 | Very high | 91.4 | Very high | 85 Ų | 85 | 31.1 Ų | 31.1 | 37% | 0.373 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.9 | -47.3 | 174.6 | 176.8 | -87.3 | 0 | 0 | 0 | 111.9 | H841 A842 A843 K879 R881 | H841-F845 VanDerWaalsContact O-CB 3.23Å; H841-F845 WeakPolarHBondContact O-CB 3.47Å; H841-F845 PolarHBondContact O-N 3.01Å; A842-F845 PolarHBondContact O-N 3.47Å; A843-F845 VanDerWaalsContact C-N 3.34Å; A843-F845 PolarHBondContact O-N 3.28Å; F845-K879 HydrophobicContact CD2-CD 4.49Å; F845-K879 HydrophobicContact CD2-CG 3.98Å; F845-K879 HydrophobicContact CE2-CD 4.2Å; F845-K879 HydrophobicContact CE2-CG 4.17Å; F845-R881 PolarHBondContact O-NE 3.37Å; F845-R881 VanDerWaalsContact O-NE 3.12Å; F845-R881 PolarHBondContact O-NH2 3.4Å |
| 846 | S | 90.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 27 Ų | 27 | 15% | 0.147 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -76.1 | -29.3 | 179.2 | -64.5 | 0 | 0 | 0 | 0 | 112.9 | L810 A842 A843 H848 R881 | L810-S846 WeakPolarHBondContact CD1-OG 3.46Å; L810-S846 PolarHBondContact O-OG 3.29Å; A842-S846 PolarHBondContact O-N 3.17Å; A842-S846 VanDerWaalsContact O-N 3.09Å; A843-S846 PolarHBondContact O-N 3.4Å; S846-H848 WeakPolarHBondContact CB-CD2 3.46Å; S846-H848 WeakPolarHBondContact CB-NE2 3.31Å; S846-R881 PolarHBondContact O-NE 3.19Å; S846-R881 PolarHBondContact O-NH2 2.9Å |
| 847 | G | 90.6 | Very high | 91.6 | Very high | 20 Ų | 20 | 30 Ų | 30 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 23.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A843 V849 | A843-G847 WeakPolarHBondContact O-CA 3.31Å; A843-G847 PolarHBondContact O-N 3.19Å; G847-V849 PolarHBondContact O-N 3.25Å |
| 848 | H | 93.7 | Very high | 91.5 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 18% | 0.176 | 16% | 0.162 | C | C | . | . | trans | -82 | 98.3 | -177.3 | -63.8 | -51.1 | 0 | 0 | 0 | 110.9 | V809 L810 D812 A843 S846 C851 I852 | V809-H848 PolarHBondContact O-CD2 3.22Å; V809-H848 VanDerWaalsContact O-CD2 3.29Å; L810-H848 PolarHBondContact O-CD2 2.9Å; L810-H848 PolarHBondContact O-NE2 3.36Å; L810-H848 VanDerWaalsContact O-NE2 3.15Å; D812-H848 HydrophobicContact CB-CB 4.42Å; D812-H848 VanDerWaalsContact CB-ND1 3.35Å; D812-H848 WeakPolarHBondContact CB-ND1 3.33Å; D812-H848 VanDerWaalsContact CG-CG 3.48Å; D812-H848 WeakPolarHBondContact OD1-CB 3.44Å; D812-H848 IonicContact OD1-CG 3.85Å; D812-H848 IonicContact OD1-ND1 3.35Å; D812-H848 IonicContact OD2-CE1 3.74Å; D812-H848 IonicContact OD2-CG 3.73Å; D812-H848 IonicContact OD2-ND1 3.54Å; D812-H848 PolarHBondContact OD2-ND1 3.33Å; A843-H848 PolarHBondContact O-N 3.17Å; S846-H848 WeakPolarHBondContact CB-CD2 3.46Å; S846-H848 WeakPolarHBondContact CB-NE2 3.31Å; H848-C851 HydrophobicContact CB-CB 4.05Å; H848-C851 PolarHBondContact O-N 3.38Å; H848-I852 VanDerWaalsContact O-CG1 3.3Å; H848-I852 WeakPolarHBondContact O-CG1 3.23Å; H848-I852 PolarHBondContact O-N 2.98Å; H848-I852 VanDerWaalsContact O-N 3.07Å | ||
| 849 | V | 91.2 | Very high | 91.2 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 21% | 0.212 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.6 | -43.7 | -171 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | G847 C851 I852 Q853 E883 L887 | G847-V849 PolarHBondContact O-N 3.25Å; V849-C851 PolarHBondContact O-N 2.74Å; V849-I852 WeakPolarHBondContact O-CB 3.38Å; V849-I852 PolarHBondContact O-N 3.37Å; V849-I852 VanDerWaalsContact O-N 3.13Å; V849-Q853 PolarHBondContact O-N 3.04Å; V849-E883 HydrophobicContact CG2-CB 3.67Å; V849-L887 HydrophobicContact CG1-CD2 3.73Å |
| 850 | D | 91.6 | Very high | 90.9 | Very high | 100 Ų | 100 | 36.1 Ų | 36.1 | 54% | 0.535 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.2 | -43.3 | -179.5 | -61.6 | -33.2 | 0 | 0 | 0 | 111 | E814 I852 Q853 L854 | E814-D850 HydrophobicContact CG-CB 4.38Å; D850-I852 VanDerWaalsContact C-N 3.35Å; D850-I852 PolarHBondContact O-N 3Å; D850-Q853 PolarHBondContact O-N 2.92Å; D850-L854 WeakPolarHBondContact O-CB 3.36Å; D850-L854 PolarHBondContact O-N 3.12Å |
| 851 | C | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -37.3 | 173.8 | -70.6 | 0 | 0 | 0 | 0 | 112.7 | V809 H848 V849 L855 | V809-C851 HydrophobicContact CB-CB 4.49Å; V809-C851 HydrophobicContact CG1-CB 3.98Å; V809-C851 HydrophobicContact CG2-CB 4.35Å; H848-C851 HydrophobicContact CB-CB 4.05Å; H848-C851 PolarHBondContact O-N 3.38Å; V849-C851 PolarHBondContact O-N 2.74Å; C851-L855 WeakPolarHBondContact O-CB 3.31Å; C851-L855 VanDerWaalsContact O-CG 3.24Å; C851-L855 WeakPolarHBondContact O-CG 3.35Å; C851-L855 PolarHBondContact O-N 2.59Å |
| 852 | I | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 174.3 | -69.3 | 165.6 | 0 | 0 | 0 | 109.9 | L840 A843 H848 V849 D850 L854 L855 L856 A884 L887 L888 | L840-I852 HydrophobicContact CD1-CB 4.5Å; L840-I852 HydrophobicContact CD1-CG1 4.39Å; L840-I852 HydrophobicContact CD1-CG2 4.05Å; A843-I852 HydrophobicContact CB-CD1 4.37Å; A843-I852 HydrophobicContact CB-CG1 3.49Å; A843-I852 VanDerWaalsContact CB-CG1 3.49Å; H848-I852 VanDerWaalsContact O-CG1 3.3Å; H848-I852 WeakPolarHBondContact O-CG1 3.23Å; H848-I852 PolarHBondContact O-N 2.98Å; H848-I852 VanDerWaalsContact O-N 3.07Å; V849-I852 WeakPolarHBondContact O-CB 3.38Å; V849-I852 PolarHBondContact O-N 3.37Å; V849-I852 VanDerWaalsContact O-N 3.13Å; D850-I852 VanDerWaalsContact C-N 3.35Å; D850-I852 PolarHBondContact O-N 3Å; I852-L854 PolarHBondContact O-N 2.89Å; I852-L855 PolarHBondContact O-N 2.9Å; I852-L856 HydrophobicContact CG2-CD1 3.8Å; I852-L856 HydrophobicContact CG2-CG 4.33Å; I852-L856 WeakPolarHBondContact O-CB 3.27Å; I852-L856 WeakPolarHBondContact O-CG 3.44Å; I852-L856 PolarHBondContact O-N 3.23Å; I852-A884 HydrophobicContact CD1-CB 3.42Å; I852-A884 VanDerWaalsContact CD1-CB 3.42Å; I852-L887 HydrophobicContact CB-CD2 3.94Å; I852-L887 HydrophobicContact CG2-CD2 3.57Å; I852-L887 HydrophobicContact CG2-CG 4.3Å; I852-L888 HydrophobicContact CG2-CD2 3.98Å; I852-L888 HydrophobicContact CG2-CG 4.31Å |
| 853 | Q | 91.8 | Very high | 90.3 | Very high | 113 Ų | 113 | 42.5 Ų | 42.5 | 53% | 0.528 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.1 | -43.5 | 179.4 | -175.3 | 172.2 | -15.4 | 0 | 0 | 111.8 | V849 D850 L856 S857 L887 | V849-Q853 PolarHBondContact O-N 3.04Å; D850-Q853 PolarHBondContact O-N 2.92Å; Q853-L856 PolarHBondContact O-N 3.07Å; Q853-S857 PolarHBondContact O-N 2.91Å; Q853-S857 PolarHBondContact O-OG 3.44Å; Q853-L887 HydrophobicContact CB-CD2 4.05Å |
| 854 | L | 91.4 | Very high | 90.1 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -50.6 | 175.6 | -178.9 | 68.3 | 0 | 0 | 0 | 111 | E814 A817 L821 D850 I852 L856 S857 H858 | E814-L854 HydrophobicContact CG-CD2 4.05Å; A817-L854 HydrophobicContact CB-CD2 3.84Å; L821-L854 HydrophobicContact CD1-CD2 4.1Å; L821-L854 HydrophobicContact CD1-CG 3.98Å; D850-L854 WeakPolarHBondContact O-CB 3.36Å; D850-L854 PolarHBondContact O-N 3.12Å; I852-L854 PolarHBondContact O-N 2.89Å; L854-L856 VanDerWaalsContact C-N 3.32Å; L854-L856 PolarHBondContact O-N 3.1Å; L854-S857 PolarHBondContact O-N 3.24Å; L854-S857 VanDerWaalsContact O-N 3.15Å; L854-S857 PolarHBondContact O-OG 3.42Å; L854-H858 PolarHBondContact O-CD2 3.27Å; L854-H858 PolarHBondContact O-N 3.46Å |
| 855 | L | 91.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.2 | -43.3 | 177.7 | -73.5 | 172.1 | 0 | 0 | 0 | 112.2 | L805 V809 L821 A829 P839 L840 A843 C851 I852 S857 H858 A860 | L805-L855 HydrophobicContact CD2-CD2 3.86Å; L805-L855 HydrophobicContact CG-CD2 4.44Å; V809-L855 HydrophobicContact CG1-CD1 4Å; V809-L855 HydrophobicContact CG2-CD1 4.16Å; V809-L855 HydrophobicContact CG2-CG 4.47Å; L821-L855 HydrophobicContact CD1-CD2 4.32Å; A829-L855 HydrophobicContact CB-CD2 4.24Å; P839-L855 HydrophobicContact CB-CD1 4.1Å; P839-L855 HydrophobicContact CB-CD2 4.14Å; L840-L855 HydrophobicContact CB-CD1 4.33Å; L840-L855 HydrophobicContact CD1-CB 4.25Å; L840-L855 HydrophobicContact CD1-CD1 4.15Å; A843-L855 HydrophobicContact CB-CD1 4.13Å; C851-L855 WeakPolarHBondContact O-CB 3.31Å; C851-L855 VanDerWaalsContact O-CG 3.24Å; C851-L855 WeakPolarHBondContact O-CG 3.35Å; C851-L855 PolarHBondContact O-N 2.59Å; I852-L855 PolarHBondContact O-N 2.9Å; L855-S857 PolarHBondContact O-N 3.23Å; L855-H858 CarbonylContact O-C 3.49Å; L855-H858 PolarHBondContact O-N 3.39Å; L855-H858 VanDerWaalsContact O-N 3.15Å; L855-A860 HydrophobicContact CB-CB 3.83Å; L855-A860 WeakPolarHBondContact O-CB 3.4Å; L855-A860 PolarHBondContact O-N 3.44Å; L855-A860 VanDerWaalsContact O-N 3.08Å |
| 856 | L | 89.1 | Confident | 89.9 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 177.6 | -69 | 171.6 | 0 | 0 | 0 | 112.6 | I852 Q853 L854 H858 D859 V862 A892 | I852-L856 HydrophobicContact CG2-CD1 3.8Å; I852-L856 HydrophobicContact CG2-CG 4.33Å; I852-L856 WeakPolarHBondContact O-CB 3.27Å; I852-L856 WeakPolarHBondContact O-CG 3.44Å; I852-L856 PolarHBondContact O-N 3.23Å; Q853-L856 PolarHBondContact O-N 3.07Å; L854-L856 VanDerWaalsContact C-N 3.32Å; L854-L856 PolarHBondContact O-N 3.1Å; L856-H858 PolarHBondContact O-N 2.68Å; L856-D859 PolarHBondContact O-N 3.12Å; L856-V862 HydrophobicContact CD2-CG2 3.61Å; L856-A892 HydrophobicContact CD1-CB 3.8Å; L856-A892 HydrophobicContact CD2-CB 3.63Å; L856-A892 HydrophobicContact CG-CB 4.38Å |
| 857 | S | 89 | Confident | 89.9 | Confident | 81 Ų | 81 | 48.1 Ų | 48.1 | 57% | 0.566 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.5 | -17.9 | 174.9 | 65.8 | 0 | 0 | 0 | 0 | 114 | Q853 L854 L855 | Q853-S857 PolarHBondContact O-N 2.91Å; Q853-S857 PolarHBondContact O-OG 3.44Å; L854-S857 PolarHBondContact O-N 3.24Å; L854-S857 VanDerWaalsContact O-N 3.15Å; L854-S857 PolarHBondContact O-OG 3.42Å; L855-S857 PolarHBondContact O-N 3.23Å |
| 858 | H | 87.9 | Confident | 89.7 | Confident | 56 Ų | 56 | 49 Ų | 49 | 26% | 0.259 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 29.2 | 176.9 | -77.1 | -89.7 | 0 | 0 | 0 | 112.9 | L821 S826 L854 L855 L856 A860 | L821-H858 HydrophobicContact CD1-CB 4.29Å; L821-H858 HydrophobicContact CD2-CB 4.17Å; S826-H858 VanDerWaalsContact CB-O 3.25Å; S826-H858 WeakPolarHBondContact CB-O 3.49Å; L854-H858 PolarHBondContact O-CD2 3.27Å; L854-H858 PolarHBondContact O-N 3.46Å; L855-H858 CarbonylContact O-C 3.49Å; L855-H858 PolarHBondContact O-N 3.39Å; L855-H858 VanDerWaalsContact O-N 3.15Å; L856-H858 PolarHBondContact O-N 2.68Å; H858-A860 VanDerWaalsContact C-N 3.29Å; H858-A860 PolarHBondContact O-N 2.95Å |
| 859 | D | 85.8 | Confident | 89.4 | Confident | 141 Ų | 141 | 47.9 Ų | 47.9 | 75% | 0.754 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 31 | 175.5 | -63 | -44.5 | 0 | 0 | 0 | 114.6 | L856 | L856-D859 PolarHBondContact O-N 3.12Š|
| 860 | A | 87.4 | Confident | 89.4 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | trans | -60.6 | 133 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A829 L855 H858 V862 | A829-A860 HydrophobicContact CB-CB 3.93Å; L855-A860 HydrophobicContact CB-CB 3.83Å; L855-A860 WeakPolarHBondContact O-CB 3.4Å; L855-A860 PolarHBondContact O-N 3.44Å; L855-A860 VanDerWaalsContact O-N 3.08Å; H858-A860 VanDerWaalsContact C-N 3.29Å; H858-A860 PolarHBondContact O-N 2.95Å; A860-V862 PolarHBondContact O-N 2.91Å | ||
| 861 | P | 88.3 | Confident | 89.5 | Confident | 51 Ų | 51 | 44.6 Ų | 44.6 | 33% | 0.331 | 25% | 0.251 | S | S | . | . | trans | -70.4 | 126.1 | -177.8 | 30.6 | -36.2 | 0 | 0 | 0 | 110.9 | L840 P864 | L840-P861 WeakPolarHBondContact CD2-O 3.47Å; P861-P864 HydrophobicContact CB-CG 3.48Å; P861-P864 VanDerWaalsContact CB-CG 3.48Å; P861-P864 HydrophobicContact CG-CG 3.69Å; P861-P864 WeakPolarHBondContact O-CD 3.39Å | ||
| 862 | V | 86.7 | Confident | 89.5 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -83.8 | -44.4 | -169.8 | -174.9 | 0 | 0 | 0 | 0 | 113.3 | L840 L856 A860 L888 A892 A894 | L840-V862 HydrophobicContact CD2-CB 4.48Å; L856-V862 HydrophobicContact CD2-CG2 3.61Å; A860-V862 PolarHBondContact O-N 2.91Å; V862-L888 HydrophobicContact CG1-CD2 4.46Å; V862-A892 HydrophobicContact CG1-CB 3.86Å; V862-A892 HydrophobicContact CG2-CB 3.91Å; V862-A894 HydrophobicContact CG1-CB 3.69Å |
| 863 | D | 88.3 | Confident | 89.5 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -97.3 | 10.5 | -174.9 | -66.7 | -35 | 0 | 0 | 0 | 117.3 | A865 N895 L898 | D863-A865 PolarHBondContact O-N 2.9Å; D863-N895 PolarHBondContact OD1-N 3.4Å; D863-L898 HydrophobicContact CB-CD1 3.82Å |
| 864 | P | 90.1 | Very high | 89.5 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 26% | 0.26 | 23% | 0.227 | S | C | . | . | trans | -55.8 | 139 | 169.1 | -23 | 32.7 | 0 | 0 | 0 | 111.1 | T838 H841 P861 | T838-P864 HydrophobicContact CG2-CB 4.24Å; T838-P864 HydrophobicContact CG2-CG 4.35Å; H841-P864 PolarHBondContact CE1-O 2.96Å; H841-P864 PolarHBondContact NE2-O 3.29Å; P861-P864 HydrophobicContact CB-CG 3.48Å; P861-P864 VanDerWaalsContact CB-CG 3.48Å; P861-P864 HydrophobicContact CG-CG 3.69Å; P861-P864 WeakPolarHBondContact O-CD 3.39Å | ||
| 865 | A | 88.9 | Confident | 89.5 | Confident | 57 Ų | 57 | 38.8 Ų | 38.8 | 47% | 0.471 | 22% | 0.224 | S | C | . | . | trans | -99 | 134.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110 | D863 R870 | D863-A865 PolarHBondContact O-N 2.9Å; A865-R870 WeakPolarHBondContact CA-O 3.48Å | ||
| 866 | D | 90.9 | Very high | 89.6 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | trans | -67.2 | 179.6 | 170.4 | 80.3 | -4 | 0 | 0 | 0 | 111.5 | R837 S868 G869 R870 M875 | R837-D866 HydrophobicContact CG-CB 3.78Å; D866-S868 PolarHBondContact O-N 3.47Å; D866-S868 VanDerWaalsContact OD1-CA 3.25Å; D866-S868 WeakPolarHBondContact OD1-CA 3.29Å; D866-S868 WeakPolarHBondContact OD1-CB 3.33Å; D866-S868 PolarHBondContact OD1-N 2.91Å; D866-S868 PolarHBondContact OD1-OG 2.94Å; D866-S868 PolarHBondContact OD2-OG 2.96Å; D866-G869 PolarHBondContact O-N 3.06Å; D866-G869 PolarHBondContact OD1-N 2.9Å; D866-G869 VanDerWaalsContact OD1-N 3.15Å; D866-R870 PolarHBondContact N-O 2.91Å; D866-R870 PolarHBondContact OD1-N 3.47Å; D866-R870 IonicContact OD2-CZ 3.59Å; D866-R870 IonicContact OD2-NE 3.48Å; D866-R870 IonicContact OD2-NH2 2.76Å; D866-R870 PolarHBondContact OD2-NH2 3.09Å; D866-M875 HydrophobicContact CB-CE 4.32Å; D866-M875 WeakPolarHBondContact OD2-CE 3.46Å | ||
| 867 | Q | 89.7 | Confident | 89.7 | Confident | 117 Ų | 117 | 37.1 Ų | 37.1 | 55% | 0.547 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.1 | 177.5 | -77 | 172.1 | 16.9 | 0 | 0 | 114.2 | A834 K835 K901 | A834-Q867 PolarHBondContact O-NE2 3.11Å; K835-Q867 VanDerWaalsContact O-CB 3.3Å; K835-Q867 WeakPolarHBondContact O-CB 3.28Å; K835-Q867 VanDerWaalsContact O-CG 3.26Å; K835-Q867 WeakPolarHBondContact O-CG 3.46Å; K835-Q867 PolarHBondContact O-N 2.84Å; Q867-K901 WeakPolarHBondContact O-CE 3.36Å; Q867-K901 PolarHBondContact O-NZ 3.49Å |
| 868 | S | 87.7 | Confident | 89.9 | Confident | 39 Ų | 39 | 34.7 Ų | 34.7 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 2.4 | 173.4 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | D866 R870 K901 | D866-S868 PolarHBondContact O-N 3.47Å; D866-S868 VanDerWaalsContact OD1-CA 3.25Å; D866-S868 WeakPolarHBondContact OD1-CA 3.29Å; D866-S868 WeakPolarHBondContact OD1-CB 3.33Å; D866-S868 PolarHBondContact OD1-N 2.91Å; D866-S868 PolarHBondContact OD1-OG 2.94Å; D866-S868 PolarHBondContact OD2-OG 2.96Å; S868-R870 VanDerWaalsContact C-N 3.29Å; S868-R870 PolarHBondContact OG-NE 3.13Å; S868-R870 PolarHBondContact OG-NH2 2.94Å; S868-K901 WeakPolarHBondContact O-CB 3.46Å; S868-K901 WeakPolarHBondContact O-CG 3.25Å; S868-K901 PolarHBondContact O-N 3.49Å |
| 869 | G | 87.3 | Confident | 90 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 82.1 | 5.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D866 D900 | D866-G869 PolarHBondContact O-N 3.06Å; D866-G869 PolarHBondContact OD1-N 2.9Å; D866-G869 VanDerWaalsContact OD1-N 3.15Å; G869-D900 WeakPolarHBondContact O-CA 3.34Å |
| 870 | R | 90.5 | Very high | 90.2 | Very high | 63 Ų | 63 | 30.2 Ų | 30.2 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | trans | -87.2 | 133.1 | -175.4 | -68.2 | -178 | -62.1 | 178.1 | -1.3 | 111 | H841 A865 D866 S868 M874 M875 E878 D900 | H841-R870 PolarHBondContact NE2-O 3.49Å; A865-R870 WeakPolarHBondContact CA-O 3.48Å; D866-R870 PolarHBondContact N-O 2.91Å; D866-R870 PolarHBondContact OD1-N 3.47Å; D866-R870 IonicContact OD2-CZ 3.59Å; D866-R870 IonicContact OD2-NE 3.48Å; D866-R870 IonicContact OD2-NH2 2.76Å; D866-R870 PolarHBondContact OD2-NH2 3.09Å; S868-R870 VanDerWaalsContact C-N 3.29Å; S868-R870 PolarHBondContact OG-NE 3.13Å; S868-R870 PolarHBondContact OG-NH2 2.94Å; R870-M874 HydrophobicContact CB-CB 4.24Å; R870-M874 HydrophobicContact CB-SD 4.3Å; R870-M874 HydrophobicContact CG-SD 4.39Å; R870-M875 HydrophobicContact CB-CE 4.4Å; R870-E878 IonicContact CZ-OE2 3.73Å; R870-E878 IonicContact NH1-OE1 3.53Å; R870-E878 IonicContact NH1-OE2 2.68Å; R870-E878 PolarHBondContact NH1-OE2 3.42Å; R870-D900 HydrophobicContact CG-CB 3.94Å | ||
| 871 | T | 93.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | trans | -88.1 | 168.6 | 170.8 | 65.4 | 0 | 0 | 0 | 0 | 111.6 | L873 M874 M875 L898 | T871-L873 PolarHBondContact O-N 3.08Å; T871-M874 WeakPolarHBondContact O-CB 3.32Å; T871-M874 PolarHBondContact O-N 3.32Å; T871-M874 VanDerWaalsContact O-N 3.08Å; T871-M874 PolarHBondContact OG1-N 2.88Å; T871-M875 PolarHBondContact O-N 3.11Å; T871-L898 HydrophobicContact CG2-CB 4.33Å; T871-L898 HydrophobicContact CG2-CD1 3.72Å | ||
| 872 | A | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.3 | -39 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L840 H841 A844 M874 M875 A876 L888 | L840-A872 HydrophobicContact CD2-CB 4.1Å; L840-A872 HydrophobicContact CG-CB 3.9Å; H841-A872 PolarHBondContact CD2-N 3.41Å; H841-A872 PolarHBondContact NE2-N 3.03Å; A844-A872 HydrophobicContact CB-CB 3.94Å; A844-A872 VanDerWaalsContact CB-O 3.29Å; A844-A872 WeakPolarHBondContact CB-O 3.34Å; A872-M874 PolarHBondContact O-N 3.2Å; A872-M875 PolarHBondContact O-N 3.35Å; A872-A876 PolarHBondContact O-N 3.1Å; A872-L888 HydrophobicContact CB-CD1 4.41Å |
| 873 | L | 92.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 175 | -172.9 | 74.3 | 0 | 0 | 0 | 112.1 | T871 M875 A876 A877 L885 L888 L889 A894 L896 A906 | T871-L873 PolarHBondContact O-N 3.08Å; L873-M875 VanDerWaalsContact C-N 3.35Å; L873-A876 PolarHBondContact O-N 3.19Å; L873-A877 WeakPolarHBondContact O-CB 3.46Å; L873-A877 PolarHBondContact O-N 3.45Å; L873-L885 HydrophobicContact CD1-CD1 3.49Å; L873-L885 VanDerWaalsContact CD1-CD1 3.49Å; L873-L885 HydrophobicContact CG-CD1 4.16Å; L873-L888 HydrophobicContact CD1-CB 3.91Å; L873-L889 HydrophobicContact CD1-CD2 3.69Å; L873-L889 HydrophobicContact CD1-CG 3.8Å; L873-L889 HydrophobicContact CD2-CD2 4Å; L873-L889 HydrophobicContact CG-CD2 4.5Å; L873-A894 HydrophobicContact CB-CB 4.25Å; L873-A894 HydrophobicContact CD1-CB 4.11Å; L873-A894 HydrophobicContact CD2-CB 4.04Å; L873-A894 HydrophobicContact CG-CB 4.38Å; L873-L896 HydrophobicContact CD2-CD2 3.75Å; L873-L896 HydrophobicContact CD2-CG 4.12Å; L873-A906 HydrophobicContact CD2-CB 4.21Å; L873-A906 HydrophobicContact CG-CB 4.24Å |
| 874 | M | 92.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 177.2 | -71.1 | 175.5 | -173.9 | 0 | 0 | 112.3 | R870 T871 A872 A877 E878 L898 D900 A906 L909 | R870-M874 HydrophobicContact CB-CB 4.24Å; R870-M874 HydrophobicContact CB-SD 4.3Å; R870-M874 HydrophobicContact CG-SD 4.39Å; T871-M874 WeakPolarHBondContact O-CB 3.32Å; T871-M874 PolarHBondContact O-N 3.32Å; T871-M874 VanDerWaalsContact O-N 3.08Å; T871-M874 PolarHBondContact OG1-N 2.88Å; A872-M874 PolarHBondContact O-N 3.2Å; M874-A877 PolarHBondContact O-N 2.95Å; M874-E878 VanDerWaalsContact O-CB 3.28Å; M874-E878 WeakPolarHBondContact O-CB 3.18Å; M874-E878 PolarHBondContact O-N 3.23Å; M874-L898 HydrophobicContact CE-CB 3.97Å; M874-L898 WeakPolarHBondContact CE-O 3.45Å; M874-D900 HydrophobicContact SD-CB 4.25Å; M874-A906 HydrophobicContact CG-CB 4.17Å; M874-L909 HydrophobicContact CB-CD1 3.68Å; M874-L909 HydrophobicContact CG-CD1 3.99Å; M874-L909 HydrophobicContact SD-CD1 4.35Å |
| 875 | M | 91.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.5 | -42.4 | 176 | -68.1 | -163.8 | 178.5 | 0 | 0 | 112.2 | R837 H841 D866 R870 T871 A872 L873 E878 K879 | R837-M875 HydrophobicContact CG-CE 4.03Å; H841-M875 HydrophobicContact CB-CE 4.33Å; H841-M875 HydrophobicContact CB-SD 3.78Å; D866-M875 HydrophobicContact CB-CE 4.32Å; D866-M875 WeakPolarHBondContact OD2-CE 3.46Å; R870-M875 HydrophobicContact CB-CE 4.4Å; T871-M875 PolarHBondContact O-N 3.11Å; A872-M875 PolarHBondContact O-N 3.35Å; L873-M875 VanDerWaalsContact C-N 3.35Å; M875-E878 PolarHBondContact O-N 2.99Å; M875-K879 PolarHBondContact O-N 3.03Å |
| 876 | A | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A844 A872 L873 K879 G880 R881 L885 L888 | A844-A876 HydrophobicContact CB-CB 4.23Å; A872-A876 PolarHBondContact O-N 3.1Å; L873-A876 PolarHBondContact O-N 3.19Å; A876-K879 PolarHBondContact O-N 3.33Å; A876-G880 PolarHBondContact O-N 2.88Å; A876-R881 HydrophobicContact CB-CB 4.38Å; A876-R881 PolarHBondContact O-N 3.4Å; A876-L885 HydrophobicContact CB-CB 4.42Å; A876-L885 HydrophobicContact CB-CD1 4.32Å; A876-L888 HydrophobicContact CB-CD1 4.38Å |
| 877 | A | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L873 M874 G880 L885 A906 A910 I922 | L873-A877 WeakPolarHBondContact O-CB 3.46Å; L873-A877 PolarHBondContact O-N 3.45Å; M874-A877 PolarHBondContact O-N 2.95Å; A877-G880 PolarHBondContact O-N 3Å; A877-L885 HydrophobicContact CB-CD1 4.17Å; A877-A906 HydrophobicContact CB-CB 4.01Å; A877-A906 WeakPolarHBondContact CB-O 3.48Å; A877-A910 HydrophobicContact CB-CB 4.27Å; A877-I922 HydrophobicContact CB-CD1 3.97Å |
| 878 | E | 91.9 | Very high | 90.6 | Very high | 30 Ų | 30 | 30.3 Ų | 30.3 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 175.9 | -179.6 | -168.5 | 145.6 | 0 | 0 | 111.6 | R870 M874 M875 L909 N913 | R870-E878 IonicContact CZ-OE2 3.73Å; R870-E878 IonicContact NH1-OE1 3.53Å; R870-E878 IonicContact NH1-OE2 2.68Å; R870-E878 PolarHBondContact NH1-OE2 3.42Å; M874-E878 VanDerWaalsContact O-CB 3.28Å; M874-E878 WeakPolarHBondContact O-CB 3.18Å; M874-E878 PolarHBondContact O-N 3.23Å; M875-E878 PolarHBondContact O-N 2.99Å; E878-L909 HydrophobicContact CB-CB 4.48Å; E878-N913 WeakPolarHBondContact CG-ND2 3.48Å |
| 879 | K | 91.7 | Very high | 90.6 | Very high | 74 Ų | 74 | 29.3 Ų | 29.3 | 32% | 0.322 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -82.7 | -13.7 | -178.4 | -62.5 | -46.8 | -177.1 | -149.5 | 0 | 114.1 | F845 M875 A876 R881 | F845-K879 HydrophobicContact CD2-CD 4.49Å; F845-K879 HydrophobicContact CD2-CG 3.98Å; F845-K879 HydrophobicContact CE2-CD 4.2Å; F845-K879 HydrophobicContact CE2-CG 4.17Å; M875-K879 PolarHBondContact O-N 3.03Å; A876-K879 PolarHBondContact O-N 3.33Å; K879-R881 HydrophobicContact CB-CG 4.11Å |
| 880 | G | 89.8 | Confident | 90.5 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 29% | 0.289 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 34.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A876 A877 A882 S918 | A876-G880 PolarHBondContact O-N 2.88Å; A877-G880 PolarHBondContact O-N 3Å; G880-A882 PolarHBondContact O-N 3.5Å; G880-S918 WeakPolarHBondContact CA-OG 3.18Å |
| 881 | R | 92.9 | Very high | 90 | Very high | 101 Ų | 101 | 33.2 Ų | 33.2 | 38% | 0.381 | 18% | 0.181 | S | C | . | . | trans | -86 | 81.7 | -179.4 | -52.8 | -54.5 | -172.5 | 174.5 | 5.5 | 109.9 | F845 S846 A876 K879 E883 A884 L885 | F845-R881 PolarHBondContact O-NE 3.37Å; F845-R881 VanDerWaalsContact O-NE 3.12Å; F845-R881 PolarHBondContact O-NH2 3.4Å; S846-R881 PolarHBondContact O-NE 3.19Å; S846-R881 PolarHBondContact O-NH2 2.9Å; A876-R881 HydrophobicContact CB-CB 4.38Å; A876-R881 PolarHBondContact O-N 3.4Å; K879-R881 HydrophobicContact CB-CG 4.11Å; R881-E883 PolarHBondContact O-N 3.22Å; R881-A884 HydrophobicContact CB-CB 3.86Å; R881-A884 PolarHBondContact O-N 3.1Å; R881-L885 WeakPolarHBondContact O-CB 3.35Å; R881-L885 PolarHBondContact O-N 3.05Å | ||
| 882 | A | 88.5 | Confident | 89.3 | Confident | 38 Ų | 38 | 34.2 Ų | 34.2 | 31% | 0.314 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.3 | -44.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | G880 L885 D886 L921 | G880-A882 PolarHBondContact O-N 3.5Å; A882-L885 WeakPolarHBondContact O-CB 3.33Å; A882-L885 PolarHBondContact O-N 2.7Å; A882-D886 PolarHBondContact O-N 3.18Å; A882-L921 HydrophobicContact CB-CD2 4.46Å; A882-L921 WeakPolarHBondContact O-CD2 3.35Å |
| 883 | E | 88.9 | Confident | 88.8 | Confident | 148 Ų | 148 | 41 Ų | 41 | 69% | 0.692 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -70.1 | -42.3 | -178.9 | -63 | 178.8 | 179.4 | 0 | 0 | 112.4 | V849 R881 L885 D886 L887 | V849-E883 HydrophobicContact CG2-CB 3.67Å; R881-E883 PolarHBondContact O-N 3.22Å; E883-L885 VanDerWaalsContact C-N 3.25Å; E883-L885 PolarHBondContact O-N 3.23Å; E883-D886 PolarHBondContact O-N 2.91Å; E883-L887 WeakPolarHBondContact O-CB 3.35Å; E883-L887 PolarHBondContact O-N 3.41Å |
| 884 | A | 90.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -38 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I852 R881 L888 | I852-A884 HydrophobicContact CD1-CB 3.42Å; I852-A884 VanDerWaalsContact CD1-CB 3.42Å; R881-A884 HydrophobicContact CB-CB 3.86Å; R881-A884 PolarHBondContact O-N 3.1Å; A884-L888 WeakPolarHBondContact O-CB 3.11Å; A884-L888 VanDerWaalsContact O-CG 3.29Å; A884-L888 WeakPolarHBondContact O-CG 3.38Å; A884-L888 PolarHBondContact O-N 2.69Å |
| 885 | L | 89.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.3 | -43 | 177.2 | -172.5 | 65.1 | 0 | 0 | 0 | 111.6 | L873 A876 A877 R881 A882 E883 L887 L888 L889 L921 I922 | L873-L885 HydrophobicContact CD1-CD1 3.49Å; L873-L885 VanDerWaalsContact CD1-CD1 3.49Å; L873-L885 HydrophobicContact CG-CD1 4.16Å; A876-L885 HydrophobicContact CB-CB 4.42Å; A876-L885 HydrophobicContact CB-CD1 4.32Å; A877-L885 HydrophobicContact CB-CD1 4.17Å; R881-L885 WeakPolarHBondContact O-CB 3.35Å; R881-L885 PolarHBondContact O-N 3.05Å; A882-L885 WeakPolarHBondContact O-CB 3.33Å; A882-L885 PolarHBondContact O-N 2.7Å; E883-L885 VanDerWaalsContact C-N 3.25Å; E883-L885 PolarHBondContact O-N 3.23Å; L885-L887 VanDerWaalsContact C-N 3.34Å; L885-L888 PolarHBondContact O-N 3Å; L885-L889 HydrophobicContact CD1-CD1 4.38Å; L885-L889 HydrophobicContact CG-CD1 4.17Å; L885-L889 WeakPolarHBondContact O-CB 2.89Å; L885-L889 WeakPolarHBondContact O-CG 3.19Å; L885-L889 PolarHBondContact O-N 3.3Å; L885-L921 HydrophobicContact CB-CD2 4.16Å; L885-L921 HydrophobicContact CD2-CD2 4.22Å; L885-L921 HydrophobicContact CG-CD2 4.24Å; L885-I922 HydrophobicContact CD1-CD1 4.27Å; L885-I922 HydrophobicContact CD1-CG1 4.17Å; L885-I922 HydrophobicContact CD2-CD1 3.87Å; L885-I922 HydrophobicContact CD2-CG1 3.73Å; L885-I922 HydrophobicContact CG-CG1 4.13Å |
| 886 | D | 90.1 | Very high | 87.8 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 32% | 0.316 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.6 | -169.6 | 47.5 | 0 | 0 | 0 | 111.3 | A882 E883 L889 T890 L921 K925 | A882-D886 PolarHBondContact O-N 3.18Å; E883-D886 PolarHBondContact O-N 2.91Å; D886-L889 PolarHBondContact O-N 2.94Å; D886-T890 WeakPolarHBondContact O-CB 3.41Å; D886-T890 PolarHBondContact O-N 3.47Å; D886-T890 PolarHBondContact O-OG1 3.13Å; D886-T890 PolarHBondContact OD1-OG1 3.37Å; D886-L921 HydrophobicContact CB-CD1 4.33Å; D886-L921 HydrophobicContact CB-CD2 3.85Å; D886-K925 WeakPolarHBondContact OD1-CE 3.28Å; D886-K925 IonicContact OD1-NZ 2.81Å |
| 887 | L | 89.8 | Confident | 87.4 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.7 | -51.8 | 178 | -173.3 | 67 | 0 | 0 | 0 | 110.9 | V849 I852 Q853 E883 L885 L889 T890 S891 | V849-L887 HydrophobicContact CG1-CD2 3.73Å; I852-L887 HydrophobicContact CB-CD2 3.94Å; I852-L887 HydrophobicContact CG2-CD2 3.57Å; I852-L887 HydrophobicContact CG2-CG 4.3Å; Q853-L887 HydrophobicContact CB-CD2 4.05Å; E883-L887 WeakPolarHBondContact O-CB 3.35Å; E883-L887 PolarHBondContact O-N 3.41Å; L885-L887 VanDerWaalsContact C-N 3.34Å; L887-L889 PolarHBondContact O-N 2.93Å; L887-T890 PolarHBondContact O-N 3.21Å; L887-S891 VanDerWaalsContact CD1-OG 3.28Å; L887-S891 WeakPolarHBondContact CD1-OG 3.49Å; L887-S891 PolarHBondContact O-N 3.4Å; L887-S891 PolarHBondContact O-OG 3.11Å |
| 888 | L | 88.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60 | -33.7 | 179.1 | -72 | 170.8 | 0 | 0 | 0 | 112.9 | L840 A844 I852 V862 A872 L873 A876 A884 L885 A892 N893 A894 | L840-L888 HydrophobicContact CD1-CD2 4.37Å; L840-L888 HydrophobicContact CD2-CD2 4.38Å; A844-L888 HydrophobicContact CB-CD1 4.2Å; I852-L888 HydrophobicContact CG2-CD2 3.98Å; I852-L888 HydrophobicContact CG2-CG 4.31Å; V862-L888 HydrophobicContact CG1-CD2 4.46Å; A872-L888 HydrophobicContact CB-CD1 4.41Å; L873-L888 HydrophobicContact CD1-CB 3.91Å; A876-L888 HydrophobicContact CB-CD1 4.38Å; A884-L888 WeakPolarHBondContact O-CB 3.11Å; A884-L888 VanDerWaalsContact O-CG 3.29Å; A884-L888 WeakPolarHBondContact O-CG 3.38Å; A884-L888 PolarHBondContact O-N 2.69Å; L885-L888 PolarHBondContact O-N 3Å; L888-A892 HydrophobicContact CD2-CB 4.38Å; L888-A892 WeakPolarHBondContact O-CB 3.27Å; L888-N893 PolarHBondContact O-N 3.41Å; L888-A894 HydrophobicContact CB-CB 4.39Å; L888-A894 WeakPolarHBondContact O-CB 3.43Å; L888-A894 PolarHBondContact O-N 3.34Å; L888-A894 VanDerWaalsContact O-N 3.12Å |
| 889 | L | 87.5 | Confident | 87.2 | Confident | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -77.9 | -39.3 | 177.7 | -69.8 | 172.9 | 0 | 0 | 0 | 112.9 | L873 L885 D886 L887 L896 I922 K925 | L873-L889 HydrophobicContact CD1-CD2 3.69Å; L873-L889 HydrophobicContact CD1-CG 3.8Å; L873-L889 HydrophobicContact CD2-CD2 4Å; L873-L889 HydrophobicContact CG-CD2 4.5Å; L885-L889 HydrophobicContact CD1-CD1 4.38Å; L885-L889 HydrophobicContact CG-CD1 4.17Å; L885-L889 WeakPolarHBondContact O-CB 2.89Å; L885-L889 WeakPolarHBondContact O-CG 3.19Å; L885-L889 PolarHBondContact O-N 3.3Å; D886-L889 PolarHBondContact O-N 2.94Å; L887-L889 PolarHBondContact O-N 2.93Å; L889-L896 HydrophobicContact CD2-CD1 3.77Å; L889-L896 HydrophobicContact CD2-CD2 3.82Å; L889-L896 HydrophobicContact CD2-CG 3.7Å; L889-I922 HydrophobicContact CD1-CG1 4.22Å; L889-K925 HydrophobicContact CB-CB 4.48Å; L889-K925 HydrophobicContact CD1-CB 4.26Å; L889-K925 HydrophobicContact CD1-CG 4.5Å |
| 890 | T | 84.9 | Confident | 87.1 | Confident | 87 Ų | 87 | 50.1 Ų | 50.1 | 53% | 0.534 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -89.5 | -43.1 | -172 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | D886 L887 | D886-T890 WeakPolarHBondContact O-CB 3.41Å; D886-T890 PolarHBondContact O-N 3.47Å; D886-T890 PolarHBondContact O-OG1 3.13Å; D886-T890 PolarHBondContact OD1-OG1 3.37Å; L887-T890 PolarHBondContact O-N 3.21Å |
| 891 | S | 81.2 | Confident | 87.1 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -35.8 | -175.2 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | L887 | L887-S891 VanDerWaalsContact CD1-OG 3.28Å; L887-S891 WeakPolarHBondContact CD1-OG 3.49Å; L887-S891 PolarHBondContact O-N 3.4Å; L887-S891 PolarHBondContact O-OG 3.11Å |
| 892 | A | 77.2 | Confident | 86.8 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -97.5 | -8.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L856 V862 L888 A894 | L856-A892 HydrophobicContact CD1-CB 3.8Å; L856-A892 HydrophobicContact CD2-CB 3.63Å; L856-A892 HydrophobicContact CG-CB 4.38Å; V862-A892 HydrophobicContact CG1-CB 3.86Å; V862-A892 HydrophobicContact CG2-CB 3.91Å; L888-A892 HydrophobicContact CD2-CB 4.38Å; L888-A892 WeakPolarHBondContact O-CB 3.27Å; A892-A894 PolarHBondContact O-N 3.45Å |
| 893 | N | 81.3 | Confident | 86.7 | Confident | 142 Ų | 142 | 55.7 Ų | 55.7 | 76% | 0.759 | 31% | 0.31 | S | S | * | . | trans | 48.7 | 43 | -175.9 | -165.6 | 47.8 | 0 | 0 | 0 | 112.9 | L888 | L888-N893 PolarHBondContact O-N 3.41Š| ||
| 894 | A | 85.8 | Confident | 86.7 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | trans | -58.3 | 140.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V862 L873 L888 A892 L896 | V862-A894 HydrophobicContact CG1-CB 3.69Å; L873-A894 HydrophobicContact CB-CB 4.25Å; L873-A894 HydrophobicContact CD1-CB 4.11Å; L873-A894 HydrophobicContact CD2-CB 4.04Å; L873-A894 HydrophobicContact CG-CB 4.38Å; L888-A894 HydrophobicContact CB-CB 4.39Å; L888-A894 WeakPolarHBondContact O-CB 3.43Å; L888-A894 PolarHBondContact O-N 3.34Å; L888-A894 VanDerWaalsContact O-N 3.12Å; A892-A894 PolarHBondContact O-N 3.45Å; A894-L896 PolarHBondContact O-N 3.1Å | ||
| 895 | N | 85.6 | Confident | 86.7 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | trans | -79.4 | 107.8 | -171.9 | -173.8 | -3 | 0 | 0 | 0 | 112.6 | D863 S897 L898 | D863-N895 PolarHBondContact OD1-N 3.4Å; N895-S897 VanDerWaalsContact C-N 3.28Å; N895-S897 PolarHBondContact ND2-OG 3.27Å; N895-S897 PolarHBondContact O-N 3.35Å; N895-S897 WeakPolarHBondContact OD1-CB 3.08Å; N895-S897 PolarHBondContact OD1-N 3.46Å; N895-S897 PolarHBondContact OD1-OG 3.44Å; N895-L898 HydrophobicContact CB-CD1 3.89Å; N895-L898 HydrophobicContact CB-CG 3.96Å | ||
| 896 | L | 83.9 | Confident | 86.7 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.4 | 178.3 | -79.4 | 163.8 | 0 | 0 | 0 | 115.1 | L873 L889 A894 I922 M926 L931 | L873-L896 HydrophobicContact CD2-CD2 3.75Å; L873-L896 HydrophobicContact CD2-CG 4.12Å; L889-L896 HydrophobicContact CD2-CD1 3.77Å; L889-L896 HydrophobicContact CD2-CD2 3.82Å; L889-L896 HydrophobicContact CD2-CG 3.7Å; A894-L896 PolarHBondContact O-N 3.1Å; L896-I922 HydrophobicContact CD2-CG2 3.84Å; L896-M926 HydrophobicContact CD1-CG 3.76Å; L896-L931 HydrophobicContact CB-CD1 3.96Å |
| 897 | S | 84.9 | Confident | 86.6 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -11.4 | -178.5 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | N895 | N895-S897 VanDerWaalsContact C-N 3.28Å; N895-S897 PolarHBondContact ND2-OG 3.27Å; N895-S897 PolarHBondContact O-N 3.35Å; N895-S897 WeakPolarHBondContact OD1-CB 3.08Å; N895-S897 PolarHBondContact OD1-N 3.46Å; N895-S897 PolarHBondContact OD1-OG 3.44Å |
| 898 | L | 88.9 | Confident | 86.7 | Confident | 55 Ų | 55 | 45.8 Ų | 45.8 | 29% | 0.288 | 26% | 0.262 | S | S | . | . | trans | -65.9 | 148.8 | 177.6 | -62.6 | 176.1 | 0 | 0 | 0 | 110.2 | D863 T871 M874 N895 | D863-L898 HydrophobicContact CB-CD1 3.82Å; T871-L898 HydrophobicContact CG2-CB 4.33Å; T871-L898 HydrophobicContact CG2-CD1 3.72Å; M874-L898 HydrophobicContact CE-CB 3.97Å; M874-L898 WeakPolarHBondContact CE-O 3.45Å; N895-L898 HydrophobicContact CB-CD1 3.89Å; N895-L898 HydrophobicContact CB-CG 3.96Å | ||
| 899 | T | 89.8 | Confident | 86.7 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 45% | 0.454 | 27% | 0.266 | S | S | . | . | trans | -126.6 | 145.4 | 179.6 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | N904 T905 | T899-N904 VanDerWaalsContact CA-O 3.32Å; T899-N904 WeakPolarHBondContact CA-O 2.98Å; T899-T905 HydrophobicContact CG2-CG2 3.9Å | ||
| 900 | D | 90.4 | Very high | 86.9 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 8% | 0.08 | 26% | 0.261 | C | S | . | . | trans | -68.5 | -179.3 | 167.4 | 72.5 | 8.4 | 0 | 0 | 0 | 111.8 | G869 R870 M874 D902 G903 N904 | G869-D900 WeakPolarHBondContact O-CA 3.34Å; R870-D900 HydrophobicContact CG-CB 3.94Å; M874-D900 HydrophobicContact SD-CB 4.25Å; D900-D902 PolarHBondContact O-N 3.47Å; D900-D902 WeakPolarHBondContact OD1-CA 3.32Å; D900-D902 WeakPolarHBondContact OD1-CB 3.49Å; D900-D902 PolarHBondContact OD1-N 2.9Å; D900-G903 PolarHBondContact O-N 3.11Å; D900-G903 PolarHBondContact OD1-N 3.3Å; D900-N904 PolarHBondContact N-O 3.48Å; D900-N904 WeakPolarHBondContact OD1-CB 3.47Å; D900-N904 PolarHBondContact OD1-N 2.94Å; D900-N904 PolarHBondContact OD1-ND2 3.25Å; D900-N904 WeakPolarHBondContact OD2-CB 3.37Å; D900-N904 PolarHBondContact OD2-ND2 2.93Å; D900-N904 VanDerWaalsContact OD2-ND2 3.16Å | ||
| 901 | K | 89.6 | Confident | 87.1 | Confident | 158 Ų | 158 | 41.5 Ų | 41.5 | 69% | 0.687 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.6 | 177.8 | -80.3 | -178.7 | 172.3 | 176.8 | 0 | 114.4 | Q867 S868 G903 | Q867-K901 WeakPolarHBondContact O-CE 3.36Å; Q867-K901 PolarHBondContact O-NZ 3.49Å; S868-K901 WeakPolarHBondContact O-CB 3.46Å; S868-K901 WeakPolarHBondContact O-CG 3.25Å; S868-K901 PolarHBondContact O-N 3.49Å; K901-G903 VanDerWaalsContact C-N 3.31Å |
| 902 | D | 86.2 | Confident | 87.5 | Confident | 107 Ų | 107 | 40.3 Ų | 40.3 | 57% | 0.572 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 6.6 | 178.8 | -61.4 | -35.7 | 0 | 0 | 0 | 111.6 | D900 N904 A937 | D900-D902 PolarHBondContact O-N 3.47Å; D900-D902 WeakPolarHBondContact OD1-CA 3.32Å; D900-D902 WeakPolarHBondContact OD1-CB 3.49Å; D900-D902 PolarHBondContact OD1-N 2.9Å; D902-N904 VanDerWaalsContact C-N 3.3Å; D902-N904 WeakPolarHBondContact CB-ND2 3.38Å; D902-N904 PolarHBondContact O-N 2.94Å; D902-A937 WeakPolarHBondContact O-CB 3.5Å; D902-A937 PolarHBondContact O-N 2.95Å |
| 903 | G | 85.7 | Confident | 88 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 19% | 0.186 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 77.1 | 11.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | D900 K901 N936 | D900-G903 PolarHBondContact O-N 3.11Å; D900-G903 PolarHBondContact OD1-N 3.3Å; K901-G903 VanDerWaalsContact C-N 3.31Å; G903-N936 WeakPolarHBondContact O-CA 3.47Å |
| 904 | N | 89.4 | Confident | 88.4 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | trans | -81.2 | 128.9 | -179.9 | -57.5 | -58.2 | 0 | 0 | 0 | 110.9 | T899 D900 D902 H908 L909 N936 | T899-N904 VanDerWaalsContact CA-O 3.32Å; T899-N904 WeakPolarHBondContact CA-O 2.98Å; D900-N904 PolarHBondContact N-O 3.48Å; D900-N904 WeakPolarHBondContact OD1-CB 3.47Å; D900-N904 PolarHBondContact OD1-N 2.94Å; D900-N904 PolarHBondContact OD1-ND2 3.25Å; D900-N904 WeakPolarHBondContact OD2-CB 3.37Å; D900-N904 PolarHBondContact OD2-ND2 2.93Å; D900-N904 VanDerWaalsContact OD2-ND2 3.16Å; D902-N904 VanDerWaalsContact C-N 3.3Å; D902-N904 WeakPolarHBondContact CB-ND2 3.38Å; D902-N904 PolarHBondContact O-N 2.94Å; N904-H908 HydrophobicContact CB-CB 3.77Å; N904-L909 HydrophobicContact CB-CD2 3.99Å; N904-L909 HydrophobicContact CB-CG 4Å; N904-N936 VanDerWaalsContact OD1-CB 3.3Å; N904-N936 WeakPolarHBondContact OD1-CB 3.3Å; N904-N936 PolarHBondContact OD1-ND2 3.27Å | ||
| 905 | T | 90.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | trans | -79.1 | 169.5 | 165.1 | 69 | 0 | 0 | 0 | 0 | 110.9 | T899 L907 H908 L909 | T899-T905 HydrophobicContact CG2-CG2 3.9Å; T905-L907 PolarHBondContact O-N 3.49Å; T905-L907 VanDerWaalsContact O-N 3.14Å; T905-L907 PolarHBondContact OG1-N 3.26Å; T905-H908 PolarHBondContact N-ND1 2.97Å; T905-H908 WeakPolarHBondContact O-CB 3.3Å; T905-H908 PolarHBondContact O-N 3.03Å; T905-H908 PolarHBondContact OG1-ND1 3.49Å; T905-L909 PolarHBondContact O-N 3.32Å; T905-L909 VanDerWaalsContact O-N 3.11Å | ||
| 906 | A | 88.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.4 | -35.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L873 M874 A877 L909 A910 I922 | L873-A906 HydrophobicContact CD2-CB 4.21Å; L873-A906 HydrophobicContact CG-CB 4.24Å; M874-A906 HydrophobicContact CG-CB 4.17Å; A877-A906 HydrophobicContact CB-CB 4.01Å; A877-A906 WeakPolarHBondContact CB-O 3.48Å; A906-L909 PolarHBondContact O-N 3.46Å; A906-A910 PolarHBondContact O-N 3.49Å; A906-I922 HydrophobicContact CB-CD1 4.35Å |
| 907 | L | 89.4 | Confident | 88.9 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 176.3 | -174.3 | 63.1 | 0 | 0 | 0 | 112.2 | T905 C911 V919 I922 M923 M926 P942 L958 | T905-L907 PolarHBondContact O-N 3.49Å; T905-L907 VanDerWaalsContact O-N 3.14Å; T905-L907 PolarHBondContact OG1-N 3.26Å; L907-C911 WeakPolarHBondContact O-CB 3.31Å; L907-C911 PolarHBondContact O-N 2.88Å; L907-C911 PolarHBondContact O-SG 3.46Å; L907-V919 HydrophobicContact CD1-CG1 3.93Å; L907-I922 HydrophobicContact CB-CG2 4.29Å; L907-I922 HydrophobicContact CD1-CB 4.39Å; L907-I922 HydrophobicContact CD1-CG2 4.03Å; L907-M923 HydrophobicContact CD1-CG 4.04Å; L907-M926 HydrophobicContact CD2-CE 4.1Å; L907-M926 HydrophobicContact CD2-SD 3.96Å; L907-P942 HydrophobicContact CD2-CB 3.92Å; L907-P942 HydrophobicContact CD2-CG 3.75Å; L907-P942 HydrophobicContact CG-CB 3.91Å; L907-P942 HydrophobicContact CG-CG 4.01Å; L907-L958 HydrophobicContact CD2-CD2 4.47Å |
| 908 | H | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 175.1 | -70.5 | 87.1 | 0 | 0 | 0 | 111.3 | N904 T905 C911 S912 A934 Q940 P942 L945 | N904-H908 HydrophobicContact CB-CB 3.77Å; T905-H908 PolarHBondContact N-ND1 2.97Å; T905-H908 WeakPolarHBondContact O-CB 3.3Å; T905-H908 PolarHBondContact O-N 3.03Å; T905-H908 PolarHBondContact OG1-ND1 3.49Å; H908-C911 PolarHBondContact O-N 2.91Å; H908-S912 WeakPolarHBondContact O-CB 3.43Å; H908-S912 PolarHBondContact O-N 2.88Å; H908-A934 PolarHBondContact CE1-O 3.47Å; H908-A934 VanDerWaalsContact CE1-O 3.32Å; H908-A934 PolarHBondContact NE2-O 3.06Å; H908-A934 VanDerWaalsContact NE2-O 3.11Å; H908-Q940 PolarHBondContact NE2-O 2.81Å; H908-Q940 VanDerWaalsContact NE2-O 3.15Å; H908-P942 WeakPolarHBondContact NE2-CD 3.35Å; H908-L945 HydrophobicContact CB-CD1 3.8Å; H908-L945 WeakPolarHBondContact O-CD1 3.19Å |
| 909 | L | 89.6 | Confident | 89.1 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.1 | -40.2 | -179.5 | -67 | 173.6 | 0 | 0 | 0 | 112.6 | M874 E878 N904 T905 A906 N913 | M874-L909 HydrophobicContact CB-CD1 3.68Å; M874-L909 HydrophobicContact CG-CD1 3.99Å; M874-L909 HydrophobicContact SD-CD1 4.35Å; E878-L909 HydrophobicContact CB-CB 4.48Å; N904-L909 HydrophobicContact CB-CD2 3.99Å; N904-L909 HydrophobicContact CB-CG 4Å; T905-L909 PolarHBondContact O-N 3.32Å; T905-L909 VanDerWaalsContact O-N 3.11Å; A906-L909 PolarHBondContact O-N 3.46Å; L909-N913 WeakPolarHBondContact O-CB 3.31Å; L909-N913 PolarHBondContact O-N 3.41Å; L909-N913 VanDerWaalsContact O-N 3.14Å; L909-N913 PolarHBondContact O-ND2 3.1Å |
| 910 | A | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A877 A906 G914 K915 V919 I922 | A877-A910 HydrophobicContact CB-CB 4.27Å; A906-A910 PolarHBondContact O-N 3.49Å; A910-G914 PolarHBondContact O-N 3.32Å; A910-K915 PolarHBondContact O-N 2.93Å; A910-V919 HydrophobicContact CB-CG2 3.6Å; A910-I922 HydrophobicContact CB-CD1 4.24Å |
| 911 | C | 89.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 176.8 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | L907 H908 N913 G914 V919 L945 A946 S949 | L907-C911 WeakPolarHBondContact O-CB 3.31Å; L907-C911 PolarHBondContact O-N 2.88Å; L907-C911 PolarHBondContact O-SG 3.46Å; H908-C911 PolarHBondContact O-N 2.91Å; C911-N913 VanDerWaalsContact C-N 3.3Å; C911-N913 PolarHBondContact O-N 3.33Å; C911-G914 PolarHBondContact O-N 3.45Å; C911-V919 HydrophobicContact CB-CG2 4.46Å; C911-V919 VanDerWaalsContact SG-CG2 3.55Å; C911-L945 HydrophobicContact CB-CB 3.75Å; C911-A946 HydrophobicContact CB-CB 4.21Å; C911-S949 VanDerWaalsContact O-CB 3.31Å; C911-S949 WeakPolarHBondContact O-CB 3.48Å; C911-S949 PolarHBondContact O-OG 2.98Å |
| 912 | S | 89.8 | Confident | 88.7 | Confident | 48 Ų | 48 | 29.8 Ų | 29.8 | 34% | 0.336 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.5 | -29.7 | -178.9 | -168.3 | 0 | 0 | 0 | 0 | 113 | H908 S949 | H908-S912 WeakPolarHBondContact O-CB 3.43Å; H908-S912 PolarHBondContact O-N 2.88Å; S912-S949 PolarHBondContact O-OG 2.96Å |
| 913 | N | 88.9 | Confident | 88.6 | Confident | 75 Ų | 75 | 24.8 Ų | 24.8 | 40% | 0.401 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 9.6 | -179.9 | -67.5 | -61.6 | 0 | 0 | 0 | 113.9 | E878 L909 C911 K915 | E878-N913 WeakPolarHBondContact CG-ND2 3.48Å; L909-N913 WeakPolarHBondContact O-CB 3.31Å; L909-N913 PolarHBondContact O-N 3.41Å; L909-N913 VanDerWaalsContact O-N 3.14Å; L909-N913 PolarHBondContact O-ND2 3.1Å; C911-N913 VanDerWaalsContact C-N 3.3Å; C911-N913 PolarHBondContact O-N 3.33Å; N913-K915 HydrophobicContact CB-CG 4.29Å; N913-K915 PolarHBondContact O-N 3.07Å |
| 914 | G | 87.9 | Confident | 88.6 | Confident | 33 Ų | 33 | 29.8 Ų | 29.8 | 34% | 0.34 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 27.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A910 C911 E916 | A910-G914 PolarHBondContact O-N 3.32Å; C911-G914 PolarHBondContact O-N 3.45Å; G914-E916 PolarHBondContact O-N 3.32Å |
| 915 | K | 91.1 | Very high | 88.2 | Confident | 78 Ų | 78 | 33 Ų | 33 | 34% | 0.339 | 18% | 0.175 | S | C | . | . | trans | -91.9 | 74.3 | -176.6 | -54.1 | -53 | -176.6 | -175.9 | 0 | 111.1 | A910 N913 D917 S918 V919 | A910-K915 PolarHBondContact O-N 2.93Å; N913-K915 HydrophobicContact CB-CG 4.29Å; N913-K915 PolarHBondContact O-N 3.07Å; K915-D917 PolarHBondContact O-N 3.47Å; K915-S918 PolarHBondContact O-N 2.8Å; K915-V919 WeakPolarHBondContact O-CG2 3.47Å; K915-V919 PolarHBondContact O-N 3.31Å | ||
| 916 | E | 88.5 | Confident | 87.7 | Confident | 48 Ų | 48 | 33.8 Ų | 33.8 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.5 | -43.2 | -171.1 | -164.7 | 165 | -135.2 | 0 | 0 | 113.6 | G914 V919 L920 L951 K952 R953 A954 | G914-E916 PolarHBondContact O-N 3.32Å; E916-V919 WeakPolarHBondContact O-CB 3.39Å; E916-V919 PolarHBondContact O-N 3.11Å; E916-L920 WeakPolarHBondContact O-CG 3.44Å; E916-L920 PolarHBondContact O-N 3.39Å; E916-L951 HydrophobicContact CB-CD2 3.89Å; E916-L951 HydrophobicContact CG-CB 4.36Å; E916-L951 HydrophobicContact CG-CD2 4.46Å; E916-K952 PolarHBondContact OE1-N 3.32Å; E916-R953 HydrophobicContact CG-CB 4.38Å; E916-R953 WeakPolarHBondContact OE1-CA 3.35Å; E916-R953 VanDerWaalsContact OE1-CB 3.29Å; E916-R953 WeakPolarHBondContact OE1-CB 3.39Å; E916-R953 PolarHBondContact OE1-N 3.31Å; E916-A954 HydrophobicContact CG-CB 4.17Å; E916-A954 PolarHBondContact OE1-N 3.26Å |
| 917 | D | 87.3 | Confident | 86.9 | Confident | 106 Ų | 106 | 39.7 Ų | 39.7 | 57% | 0.567 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -67.8 | -37.8 | 179.5 | -62.4 | -38.5 | 0 | 0 | 0 | 112.7 | K915 V919 L920 L921 | K915-D917 PolarHBondContact O-N 3.47Å; D917-V919 VanDerWaalsContact C-N 3.33Å; D917-L920 PolarHBondContact O-N 3.17Å; D917-L921 WeakPolarHBondContact O-CB 3.44Å; D917-L921 PolarHBondContact O-N 3.02Å |
| 918 | S | 89.1 | Confident | 86.2 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -35.8 | 174.5 | -60.1 | 0 | 0 | 0 | 0 | 112 | G880 K915 I922 | G880-S918 WeakPolarHBondContact CA-OG 3.18Å; K915-S918 PolarHBondContact O-N 2.8Å; S918-I922 WeakPolarHBondContact O-CB 3.36Å; S918-I922 WeakPolarHBondContact O-CD1 3.33Å; S918-I922 WeakPolarHBondContact O-CG1 3.49Å; S918-I922 PolarHBondContact O-N 3.37Å |
| 919 | V | 87.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -49.8 | 173.7 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | L907 A910 C911 K915 E916 D917 L921 I922 M923 L951 A954 | L907-V919 HydrophobicContact CD1-CG1 3.93Å; A910-V919 HydrophobicContact CB-CG2 3.6Å; C911-V919 HydrophobicContact CB-CG2 4.46Å; C911-V919 VanDerWaalsContact SG-CG2 3.55Å; K915-V919 WeakPolarHBondContact O-CG2 3.47Å; K915-V919 PolarHBondContact O-N 3.31Å; E916-V919 WeakPolarHBondContact O-CB 3.39Å; E916-V919 PolarHBondContact O-N 3.11Å; D917-V919 VanDerWaalsContact C-N 3.33Å; V919-L921 VanDerWaalsContact C-N 3.33Å; V919-L921 PolarHBondContact O-N 3.03Å; V919-I922 PolarHBondContact O-N 3.49Å; V919-M923 HydrophobicContact CG1-CG 4.45Å; V919-M923 HydrophobicContact CG1-SD 3.76Å; V919-M923 WeakPolarHBondContact O-CB 3.47Å; V919-M923 WeakPolarHBondContact O-CG 3.31Å; V919-M923 PolarHBondContact O-N 3.49Å; V919-L951 HydrophobicContact CG2-CD1 4.4Å; V919-A954 HydrophobicContact CB-CB 4.23Å; V919-A954 HydrophobicContact CG1-CB 3.68Å |
| 920 | L | 88.7 | Confident | 84.8 | Confident | 37 Ų | 37 | 49.9 Ų | 49.9 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 179.3 | -67 | 174.9 | 0 | 0 | 0 | 111.9 | E916 D917 M923 E924 E957 | E916-L920 WeakPolarHBondContact O-CG 3.44Å; E916-L920 PolarHBondContact O-N 3.39Å; D917-L920 PolarHBondContact O-N 3.17Å; L920-M923 PolarHBondContact O-N 3.14Å; L920-E924 WeakPolarHBondContact O-CB 3.48Å; L920-E924 PolarHBondContact O-N 3.45Å; L920-E957 HydrophobicContact CD2-CB 3.96Å; L920-E957 HydrophobicContact CD2-CG 4.13Å |
| 921 | L | 87.5 | Confident | 84.2 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 178.6 | -177 | 70.3 | 0 | 0 | 0 | 112.4 | A882 L885 D886 D917 V919 M923 E924 K925 | A882-L921 HydrophobicContact CB-CD2 4.46Å; A882-L921 WeakPolarHBondContact O-CD2 3.35Å; L885-L921 HydrophobicContact CB-CD2 4.16Å; L885-L921 HydrophobicContact CD2-CD2 4.22Å; L885-L921 HydrophobicContact CG-CD2 4.24Å; D886-L921 HydrophobicContact CB-CD1 4.33Å; D886-L921 HydrophobicContact CB-CD2 3.85Å; D917-L921 WeakPolarHBondContact O-CB 3.44Å; D917-L921 PolarHBondContact O-N 3.02Å; V919-L921 VanDerWaalsContact C-N 3.33Å; V919-L921 PolarHBondContact O-N 3.03Å; L921-M923 VanDerWaalsContact C-N 3.27Å; L921-M923 PolarHBondContact O-N 3.4Å; L921-E924 PolarHBondContact O-N 3.34Å; L921-K925 WeakPolarHBondContact O-CG 3.36Å; L921-K925 PolarHBondContact O-N 2.78Å; L921-K925 VanDerWaalsContact O-N 3.15Å |
| 922 | I | 86.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57 | -47.4 | 174.3 | -72 | 164.6 | 0 | 0 | 0 | 109 | A877 L885 L889 L896 A906 L907 A910 S918 V919 E924 K925 M926 | A877-I922 HydrophobicContact CB-CD1 3.97Å; L885-I922 HydrophobicContact CD1-CD1 4.27Å; L885-I922 HydrophobicContact CD1-CG1 4.17Å; L885-I922 HydrophobicContact CD2-CD1 3.87Å; L885-I922 HydrophobicContact CD2-CG1 3.73Å; L885-I922 HydrophobicContact CG-CG1 4.13Å; L889-I922 HydrophobicContact CD1-CG1 4.22Å; L896-I922 HydrophobicContact CD2-CG2 3.84Å; A906-I922 HydrophobicContact CB-CD1 4.35Å; L907-I922 HydrophobicContact CB-CG2 4.29Å; L907-I922 HydrophobicContact CD1-CB 4.39Å; L907-I922 HydrophobicContact CD1-CG2 4.03Å; A910-I922 HydrophobicContact CB-CD1 4.24Å; S918-I922 WeakPolarHBondContact O-CB 3.36Å; S918-I922 WeakPolarHBondContact O-CD1 3.33Å; S918-I922 WeakPolarHBondContact O-CG1 3.49Å; S918-I922 PolarHBondContact O-N 3.37Å; V919-I922 PolarHBondContact O-N 3.49Å; I922-E924 PolarHBondContact O-N 3.06Å; I922-K925 PolarHBondContact O-N 3.09Å; I922-M926 HydrophobicContact CG2-CG 3.88Å; I922-M926 HydrophobicContact CG2-SD 3.51Å; I922-M926 VanDerWaalsContact CG2-SD 3.51Å; I922-M926 WeakPolarHBondContact O-CB 3.49Å; I922-M926 WeakPolarHBondContact O-CG 3.25Å; I922-M926 PolarHBondContact O-N 3.31Å |
| 923 | M | 84.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 179.7 | -69.8 | 176.6 | 70 | 0 | 0 | 113.4 | L907 V919 L920 L921 K925 M926 E957 L958 R961 | L907-M923 HydrophobicContact CD1-CG 4.04Å; V919-M923 HydrophobicContact CG1-CG 4.45Å; V919-M923 HydrophobicContact CG1-SD 3.76Å; V919-M923 WeakPolarHBondContact O-CB 3.47Å; V919-M923 WeakPolarHBondContact O-CG 3.31Å; V919-M923 PolarHBondContact O-N 3.49Å; L920-M923 PolarHBondContact O-N 3.14Å; L921-M923 VanDerWaalsContact C-N 3.27Å; L921-M923 PolarHBondContact O-N 3.4Å; M923-K925 VanDerWaalsContact C-N 3.33Å; M923-K925 PolarHBondContact O-N 3.04Å; M923-M926 HydrophobicContact CG-SD 4.43Å; M923-E957 HydrophobicContact CE-CB 4.1Å; M923-E957 HydrophobicContact CE-CG 3.65Å; M923-E957 HydrophobicContact SD-CG 4.36Å; M923-L958 HydrophobicContact CE-CB 4.33Å; M923-L958 HydrophobicContact CE-CD2 3.59Å; M923-L958 HydrophobicContact CE-CG 3.8Å; M923-L958 HydrophobicContact SD-CD2 3.63Å; M923-L958 HydrophobicContact SD-CG 3.76Å; M923-R961 HydrophobicContact CE-CG 4.46Å; M923-R961 PolarHBondContact O-NH1 2.96Å |
| 924 | E | 85.1 | Confident | 83.2 | Confident | 124 Ų | 124 | 49.7 Ų | 49.7 | 58% | 0.579 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 175.4 | -171.4 | -175.2 | 158.7 | 0 | 0 | 111.6 | L920 L921 I922 | L920-E924 WeakPolarHBondContact O-CB 3.48Å; L920-E924 PolarHBondContact O-N 3.45Å; L921-E924 PolarHBondContact O-N 3.34Å; I922-E924 PolarHBondContact O-N 3.06Å |
| 925 | K | 81.4 | Confident | 83 | Confident | 87 Ų | 87 | 51.4 Ų | 51.4 | 38% | 0.378 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -88.8 | -13 | -176 | -56.3 | -60.6 | -173.4 | 176.6 | 0 | 114.2 | D886 L889 L921 I922 M923 S927 | D886-K925 WeakPolarHBondContact OD1-CE 3.28Å; D886-K925 IonicContact OD1-NZ 2.81Å; L889-K925 HydrophobicContact CB-CB 4.48Å; L889-K925 HydrophobicContact CD1-CB 4.26Å; L889-K925 HydrophobicContact CD1-CG 4.5Å; L921-K925 WeakPolarHBondContact O-CG 3.36Å; L921-K925 PolarHBondContact O-N 2.78Å; L921-K925 VanDerWaalsContact O-N 3.15Å; I922-K925 PolarHBondContact O-N 3.09Å; M923-K925 VanDerWaalsContact C-N 3.33Å; M923-K925 PolarHBondContact O-N 3.04Å; K925-S927 PolarHBondContact O-N 3.15Å |
| 926 | M | 79.8 | Confident | 82.7 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | trans | -65.7 | 122.4 | 176.2 | -85.9 | 170.5 | 77.1 | 0 | 0 | 111.9 | L896 L907 I922 M923 L931 I932 | L896-M926 HydrophobicContact CD1-CG 3.76Å; L907-M926 HydrophobicContact CD2-CE 4.1Å; L907-M926 HydrophobicContact CD2-SD 3.96Å; I922-M926 HydrophobicContact CG2-CG 3.88Å; I922-M926 HydrophobicContact CG2-SD 3.51Å; I922-M926 VanDerWaalsContact CG2-SD 3.51Å; I922-M926 WeakPolarHBondContact O-CB 3.49Å; I922-M926 WeakPolarHBondContact O-CG 3.25Å; I922-M926 PolarHBondContact O-N 3.31Å; M923-M926 HydrophobicContact CG-SD 4.43Å; M926-L931 HydrophobicContact CE-CB 3.42Å; M926-L931 VanDerWaalsContact CE-CB 3.42Å; M926-L931 HydrophobicContact CE-CD1 4.2Å; M926-L931 HydrophobicContact CE-CG 4.43Å; M926-I932 HydrophobicContact CE-CG1 4.09Å | ||
| 927 | S | 71.2 | Confident | 82.6 | Confident | 126 Ų | 126 | 49.6 Ų | 49.6 | 88% | 0.881 | 30% | 0.295 | S | S | * | . | trans | -91.6 | -28.8 | 172.7 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | K925 | K925-S927 PolarHBondContact O-N 3.15Š| ||
| 928 | D | 74.4 | Confident | 82.3 | Confident | 76 Ų | 76 | 46.2 Ų | 46.2 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | trans | -93.3 | 109.7 | -178.6 | -169.2 | -2.1 | 0 | 0 | 0 | 112.4 | S930 L931 | D928-S930 PolarHBondContact O-N 3.18Å; D928-S930 WeakPolarHBondContact OD1-CB 3.44Å; D928-S930 PolarHBondContact OD1-N 3.44Å; D928-S930 PolarHBondContact OD1-OG 2.97Å; D928-S930 PolarHBondContact OD2-OG 3.29Å; D928-L931 HydrophobicContact CB-CD1 4.35Å; D928-L931 HydrophobicContact CB-CG 4.42Å | ||
| 929 | S | 73.9 | Confident | 81.9 | Confident | 88 Ų | 88 | 50 Ų | 50 | 62% | 0.615 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -65.5 | -16.9 | 175 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | L931 I932 | S929-L931 VanDerWaalsContact C-N 3.3Å; S929-L931 PolarHBondContact O-N 3.33Å; S929-I932 PolarHBondContact O-N 3.24Å |
| 930 | S | 77.1 | Confident | 81.7 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 47% | 0.469 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -67.3 | -31.8 | -178.9 | 79 | 0 | 0 | 0 | 0 | 112.5 | D928 I932 N933 A934 | D928-S930 PolarHBondContact O-N 3.18Å; D928-S930 WeakPolarHBondContact OD1-CB 3.44Å; D928-S930 PolarHBondContact OD1-N 3.44Å; D928-S930 PolarHBondContact OD1-OG 2.97Å; D928-S930 PolarHBondContact OD2-OG 3.29Å; S930-I932 VanDerWaalsContact C-N 3.26Å; S930-I932 PolarHBondContact O-N 3.45Å; S930-N933 PolarHBondContact O-N 3.47Å; S930-A934 PolarHBondContact O-N 3.08Å |
| 931 | L | 78.9 | Confident | 81.6 | Confident | 21 Ų | 21 | 49.1 Ų | 49.1 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -70.4 | -19.2 | -177.8 | -65.8 | 177.3 | 0 | 0 | 0 | 113.5 | L896 M926 D928 S929 N933 A934 | L896-L931 HydrophobicContact CB-CD1 3.96Å; M926-L931 HydrophobicContact CE-CB 3.42Å; M926-L931 VanDerWaalsContact CE-CB 3.42Å; M926-L931 HydrophobicContact CE-CD1 4.2Å; M926-L931 HydrophobicContact CE-CG 4.43Å; D928-L931 HydrophobicContact CB-CD1 4.35Å; D928-L931 HydrophobicContact CB-CG 4.42Å; S929-L931 VanDerWaalsContact C-N 3.3Å; S929-L931 PolarHBondContact O-N 3.33Å; L931-N933 PolarHBondContact O-N 3.21Å; L931-A934 PolarHBondContact O-N 3.28Å |
| 932 | I | 80.8 | Confident | 81.5 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -66 | -31.5 | 175.3 | -61.4 | 175.9 | 0 | 0 | 0 | 110.9 | M926 S929 S930 P942 L958 R961 A963 | M926-I932 HydrophobicContact CE-CG1 4.09Å; S929-I932 PolarHBondContact O-N 3.24Å; S930-I932 VanDerWaalsContact C-N 3.26Å; S930-I932 PolarHBondContact O-N 3.45Å; I932-P942 WeakPolarHBondContact O-CD 3.36Å; I932-L958 HydrophobicContact CG2-CD2 4.07Å; I932-R961 HydrophobicContact CD1-CB 3.7Å; I932-A963 HydrophobicContact CG2-CB 3.77Å |
| 933 | N | 82 | Confident | 81.5 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 32% | 0.321 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -109.3 | 10.9 | -179.9 | -70 | -55.1 | 0 | 0 | 0 | 112.7 | S930 L931 G962 A963 N964 | S930-N933 PolarHBondContact O-N 3.47Å; L931-N933 PolarHBondContact O-N 3.21Å; N933-G962 PolarHBondContact ND2-O 3.01Å; N933-G962 VanDerWaalsContact ND2-O 3.07Å; N933-A963 WeakPolarHBondContact OD1-CA 3.42Å; N933-N964 PolarHBondContact OD1-N 3.15Å |
| 934 | A | 83.5 | Confident | 81.5 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | trans | -61.8 | 141.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | H908 S930 L931 P942 | H908-A934 PolarHBondContact CE1-O 3.47Å; H908-A934 VanDerWaalsContact CE1-O 3.32Å; H908-A934 PolarHBondContact NE2-O 3.06Å; H908-A934 VanDerWaalsContact NE2-O 3.11Å; S930-A934 PolarHBondContact O-N 3.08Å; L931-A934 PolarHBondContact O-N 3.28Å; A934-P942 WeakPolarHBondContact O-CD 3.33Å | ||
| 935 | T | 84.3 | Confident | 81.6 | Confident | 69 Ų | 69 | 45.1 Ų | 45.1 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | trans | -108.7 | 136 | 177.4 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | Q940 T941 | T935-Q940 WeakPolarHBondContact CA-O 3.35Å; T935-T941 HydrophobicContact CG2-CG2 3.92Å | ||
| 936 | N | 85.5 | Confident | 81.8 | Confident | 14 Ų | 14 | 41 Ų | 41 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | trans | -73.8 | -176.3 | 168.5 | 72.3 | 6 | 0 | 0 | 0 | 111.9 | G903 N904 A938 L939 Q940 | G903-N936 WeakPolarHBondContact O-CA 3.47Å; N904-N936 VanDerWaalsContact OD1-CB 3.3Å; N904-N936 WeakPolarHBondContact OD1-CB 3.3Å; N904-N936 PolarHBondContact OD1-ND2 3.27Å; N936-A938 PolarHBondContact O-N 3.03Å; N936-A938 VanDerWaalsContact O-N 3.13Å; N936-A938 WeakPolarHBondContact OD1-CA 3.42Å; N936-A938 PolarHBondContact OD1-N 3.03Å; N936-L939 PolarHBondContact O-N 2.77Å; N936-L939 PolarHBondContact OD1-N 2.9Å; N936-Q940 PolarHBondContact N-O 2.83Å; N936-Q940 WeakPolarHBondContact OD1-CB 3.38Å; N936-Q940 PolarHBondContact OD1-N 3.44Å | ||
| 937 | A | 84.7 | Confident | 82 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 62% | 0.62 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D902 L939 | D902-A937 WeakPolarHBondContact O-CB 3.5Å; D902-A937 PolarHBondContact O-N 2.95Å; A937-L939 VanDerWaalsContact C-N 3.33Å |
| 938 | A | 81.6 | Confident | 82.7 | Confident | 34 Ų | 34 | 44.2 Ų | 44.2 | 28% | 0.281 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 16 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | N936 Q940 | N936-A938 PolarHBondContact O-N 3.03Å; N936-A938 VanDerWaalsContact O-N 3.13Å; N936-A938 WeakPolarHBondContact OD1-CA 3.42Å; N936-A938 PolarHBondContact OD1-N 3.03Å; A938-Q940 HydrophobicContact CB-CG 4.27Å; A938-Q940 PolarHBondContact O-N 2.87Å; A938-Q940 VanDerWaalsContact O-N 3.13Å |
| 939 | L | 81.3 | Confident | 83.3 | Confident | 84 Ų | 84 | 42.7 Ų | 42.7 | 44% | 0.44 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 60.7 | 16.3 | -176.2 | -57.3 | 175.8 | 0 | 0 | 0 | 114.7 | N936 A937 E970 | N936-L939 PolarHBondContact O-N 2.77Å; N936-L939 PolarHBondContact OD1-N 2.9Å; A937-L939 VanDerWaalsContact C-N 3.33Å; L939-E970 HydrophobicContact CD1-CG 4.1Å; L939-E970 HydrophobicContact CG-CG 4.4Å |
| 940 | Q | 83 | Confident | 83.9 | Confident | 18 Ų | 18 | 41 Ų | 41 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | trans | -84 | 131 | 179.9 | -63.5 | -176.2 | -39.2 | 0 | 0 | 110.3 | H908 T935 N936 A938 H944 L945 D969 | H908-Q940 PolarHBondContact NE2-O 2.81Å; H908-Q940 VanDerWaalsContact NE2-O 3.15Å; T935-Q940 WeakPolarHBondContact CA-O 3.35Å; N936-Q940 PolarHBondContact N-O 2.83Å; N936-Q940 WeakPolarHBondContact OD1-CB 3.38Å; N936-Q940 PolarHBondContact OD1-N 3.44Å; A938-Q940 HydrophobicContact CB-CG 4.27Å; A938-Q940 PolarHBondContact O-N 2.87Å; A938-Q940 VanDerWaalsContact O-N 3.13Å; Q940-H944 HydrophobicContact CB-CB 4.38Å; Q940-L945 HydrophobicContact CB-CD2 4.47Å; Q940-L945 HydrophobicContact CB-CG 4.49Å; Q940-D969 HydrophobicContact CG-CB 3.86Å; Q940-D969 PolarHBondContact NE2-OD2 3.47Å | ||
| 941 | T | 86.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -87.2 | 162.9 | 170 | 69.1 | 0 | 0 | 0 | 0 | 110.9 | T935 L943 H944 L945 T967 | T935-T941 HydrophobicContact CG2-CG2 3.92Å; T941-L943 PolarHBondContact O-N 3.2Å; T941-L943 VanDerWaalsContact O-N 3.12Å; T941-H944 PolarHBondContact N-ND1 3.37Å; T941-H944 WeakPolarHBondContact O-CB 3.1Å; T941-H944 PolarHBondContact O-N 2.8Å; T941-H944 PolarHBondContact OG1-ND1 3.34Å; T941-L945 PolarHBondContact O-N 3.14Å; T941-T967 HydrophobicContact CG2-CG2 4.48Å | ||
| 942 | P | 85.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.7 | -31.7 | 173.5 | -26.5 | 35.7 | 0 | 0 | 0 | 113.2 | L907 H908 I932 A934 L945 A946 L958 | L907-P942 HydrophobicContact CD2-CB 3.92Å; L907-P942 HydrophobicContact CD2-CG 3.75Å; L907-P942 HydrophobicContact CG-CB 3.91Å; L907-P942 HydrophobicContact CG-CG 4.01Å; H908-P942 WeakPolarHBondContact NE2-CD 3.35Å; I932-P942 WeakPolarHBondContact O-CD 3.36Å; A934-P942 WeakPolarHBondContact O-CD 3.33Å; P942-L945 PolarHBondContact O-N 3.16Å; P942-A946 VanDerWaalsContact O-CB 3.3Å; P942-A946 WeakPolarHBondContact O-CB 3.47Å; P942-A946 PolarHBondContact O-N 3.43Å; P942-L958 HydrophobicContact CB-CD1 4.49Å; P942-L958 HydrophobicContact CB-CD2 4.45Å |
| 943 | L | 85.9 | Confident | 85.1 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 175.8 | -176.5 | 65.5 | 0 | 0 | 0 | 112.4 | T941 L945 A946 A947 V955 L958 L959 A963 V965 | T941-L943 PolarHBondContact O-N 3.2Å; T941-L943 VanDerWaalsContact O-N 3.12Å; L943-L945 VanDerWaalsContact C-N 3.33Å; L943-L945 PolarHBondContact O-N 2.96Å; L943-A946 PolarHBondContact O-N 3.27Å; L943-A947 VanDerWaalsContact O-CB 3.31Å; L943-A947 WeakPolarHBondContact O-CB 3.36Å; L943-A947 PolarHBondContact O-N 3.1Å; L943-V955 HydrophobicContact CD1-CG1 4.09Å; L943-L958 HydrophobicContact CD1-CB 4.08Å; L943-L958 HydrophobicContact CD1-CD1 4.48Å; L943-L959 HydrophobicContact CD1-CD2 4.22Å; L943-L959 HydrophobicContact CD1-CG 4.19Å; L943-L959 HydrophobicContact CD2-CD2 3.91Å; L943-A963 HydrophobicContact CB-CB 4.17Å; L943-A963 HydrophobicContact CD2-CB 3.93Å; L943-A963 HydrophobicContact CG-CB 4.43Å; L943-V965 HydrophobicContact CD2-CG2 4.24Å |
| 944 | H | 85.8 | Confident | 85.3 | Confident | 51 Ų | 51 | 48.9 Ų | 48.9 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.6 | -69.9 | 93.4 | 0 | 0 | 0 | 111 | Q940 T941 R948 T967 | Q940-H944 HydrophobicContact CB-CB 4.38Å; T941-H944 PolarHBondContact N-ND1 3.37Å; T941-H944 WeakPolarHBondContact O-CB 3.1Å; T941-H944 PolarHBondContact O-N 2.8Å; T941-H944 PolarHBondContact OG1-ND1 3.34Å; H944-R948 WeakPolarHBondContact O-CB 3.46Å; H944-R948 PolarHBondContact O-N 3.36Å; H944-T967 PolarHBondContact CE1-O 3.34Å; H944-T967 PolarHBondContact CE1-OG1 2.77Å; H944-T967 PolarHBondContact NE2-O 2.89Å |
| 945 | L | 85.8 | Confident | 85.4 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.3 | -43 | -179.2 | -62 | 176 | 0 | 0 | 0 | 111.7 | H908 C911 Q940 T941 P942 L943 R948 S949 | H908-L945 HydrophobicContact CB-CD1 3.8Å; H908-L945 WeakPolarHBondContact O-CD1 3.19Å; C911-L945 HydrophobicContact CB-CB 3.75Å; Q940-L945 HydrophobicContact CB-CD2 4.47Å; Q940-L945 HydrophobicContact CB-CG 4.49Å; T941-L945 PolarHBondContact O-N 3.14Å; P942-L945 PolarHBondContact O-N 3.16Å; L943-L945 VanDerWaalsContact C-N 3.33Å; L943-L945 PolarHBondContact O-N 2.96Å; L945-R948 PolarHBondContact O-N 2.93Å; L945-S949 WeakPolarHBondContact O-CB 3.46Å; L945-S949 PolarHBondContact O-N 3.04Å; L945-S949 PolarHBondContact O-OG 2.93Å; L945-S949 VanDerWaalsContact O-OG 3.06Å |
| 946 | A | 86.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C911 P942 L943 S949 G950 L951 V955 L958 | C911-A946 HydrophobicContact CB-CB 4.21Å; P942-A946 VanDerWaalsContact O-CB 3.3Å; P942-A946 WeakPolarHBondContact O-CB 3.47Å; P942-A946 PolarHBondContact O-N 3.43Å; L943-A946 PolarHBondContact O-N 3.27Å; A946-S949 PolarHBondContact O-N 3.35Å; A946-G950 PolarHBondContact O-N 3.41Å; A946-G950 VanDerWaalsContact O-N 3.11Å; A946-L951 HydrophobicContact CB-CB 4.47Å; A946-L951 HydrophobicContact CB-CD1 4.35Å; A946-L951 PolarHBondContact O-N 3.17Å; A946-V955 HydrophobicContact CB-CG2 3.86Å; A946-L958 HydrophobicContact CB-CD1 3.84Å |
| 947 | A | 85 | Confident | 85.4 | Confident | 61 Ų | 61 | 54.5 Ų | 54.5 | 50% | 0.504 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L943 S949 G950 V955 | L943-A947 VanDerWaalsContact O-CB 3.31Å; L943-A947 WeakPolarHBondContact O-CB 3.36Å; L943-A947 PolarHBondContact O-N 3.1Å; A947-S949 VanDerWaalsContact C-N 3.32Å; A947-S949 PolarHBondContact O-N 2.81Å; A947-G950 PolarHBondContact O-N 3.14Å; A947-G950 VanDerWaalsContact O-N 3.15Å; A947-V955 HydrophobicContact CB-CG2 4.29Å |
| 948 | R | 86 | Confident | 85.4 | Confident | 155 Ų | 155 | 50.9 Ų | 50.9 | 59% | 0.585 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.2 | -38.8 | 177.1 | -172.9 | 173.5 | 69 | -174.9 | 0.5 | 112.4 | H944 L945 G950 | H944-R948 WeakPolarHBondContact O-CB 3.46Å; H944-R948 PolarHBondContact O-N 3.36Å; L945-R948 PolarHBondContact O-N 2.93Å; R948-G950 VanDerWaalsContact C-N 3.29Å; R948-G950 PolarHBondContact O-N 3.03Å |
| 949 | S | 85.6 | Confident | 85.5 | Confident | 45 Ų | 45 | 53.1 Ų | 53.1 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -4.9 | 177.9 | -59.4 | 0 | 0 | 0 | 0 | 113.8 | C911 S912 L945 A946 A947 | C911-S949 VanDerWaalsContact O-CB 3.31Å; C911-S949 WeakPolarHBondContact O-CB 3.48Å; C911-S949 PolarHBondContact O-OG 2.98Å; S912-S949 PolarHBondContact O-OG 2.96Å; L945-S949 WeakPolarHBondContact O-CB 3.46Å; L945-S949 PolarHBondContact O-N 3.04Å; L945-S949 PolarHBondContact O-OG 2.93Å; L945-S949 VanDerWaalsContact O-OG 3.06Å; A946-S949 PolarHBondContact O-N 3.35Å; A947-S949 VanDerWaalsContact C-N 3.32Å; A947-S949 PolarHBondContact O-N 2.81Å |
| 950 | G | 86.3 | Confident | 85.6 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 54% | 0.536 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 23.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | A946 A947 R948 K952 | A946-G950 PolarHBondContact O-N 3.41Å; A946-G950 VanDerWaalsContact O-N 3.11Å; A947-G950 PolarHBondContact O-N 3.14Å; A947-G950 VanDerWaalsContact O-N 3.15Å; R948-G950 VanDerWaalsContact C-N 3.29Å; R948-G950 PolarHBondContact O-N 3.03Å; G950-K952 PolarHBondContact O-N 3.21Å; G950-K952 VanDerWaalsContact O-N 3.11Å |
| 951 | L | 88.2 | Confident | 85.4 | Confident | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.068 | 29% | 0.289 | C | S | . | . | trans | -81.9 | 85.1 | -175.2 | -53.9 | 174.4 | 0 | 0 | 0 | 111.9 | E916 V919 A946 R953 A954 V955 | E916-L951 HydrophobicContact CB-CD2 3.89Å; E916-L951 HydrophobicContact CG-CB 4.36Å; E916-L951 HydrophobicContact CG-CD2 4.46Å; V919-L951 HydrophobicContact CG2-CD1 4.4Å; A946-L951 HydrophobicContact CB-CB 4.47Å; A946-L951 HydrophobicContact CB-CD1 4.35Å; A946-L951 PolarHBondContact O-N 3.17Å; L951-R953 PolarHBondContact O-N 3.48Å; L951-A954 HydrophobicContact CB-CB 3.77Å; L951-A954 HydrophobicContact CD1-CB 4.41Å; L951-A954 PolarHBondContact O-N 2.99Å; L951-V955 WeakPolarHBondContact O-CB 3.41Å; L951-V955 VanDerWaalsContact O-CG2 3.22Å; L951-V955 WeakPolarHBondContact O-CG2 3.47Å; L951-V955 PolarHBondContact O-N 3.45Å | ||
| 952 | K | 86.6 | Confident | 85.1 | Confident | 165 Ų | 165 | 59.2 Ų | 59.2 | 72% | 0.717 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | -170.3 | -66 | -179.2 | -178.2 | 177.6 | 0 | 114 | E916 G950 Q956 | E916-K952 PolarHBondContact OE1-N 3.32Å; G950-K952 PolarHBondContact O-N 3.21Å; G950-K952 VanDerWaalsContact O-N 3.11Å; K952-Q956 WeakPolarHBondContact O-CG 3.36Å; K952-Q956 PolarHBondContact O-N 3.07Å; K952-Q956 VanDerWaalsContact O-N 3.16Å |
| 953 | R | 87.9 | Confident | 84.8 | Confident | 144 Ų | 144 | 59.7 Ų | 59.7 | 54% | 0.543 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -74.3 | -41.3 | -178.5 | -60.4 | 173.4 | 63.9 | -158.8 | -1.9 | 110.5 | E916 L951 V955 Q956 E957 | E916-R953 HydrophobicContact CG-CB 4.38Å; E916-R953 WeakPolarHBondContact OE1-CA 3.35Å; E916-R953 VanDerWaalsContact OE1-CB 3.29Å; E916-R953 WeakPolarHBondContact OE1-CB 3.39Å; E916-R953 PolarHBondContact OE1-N 3.31Å; L951-R953 PolarHBondContact O-N 3.48Å; R953-V955 PolarHBondContact O-N 2.97Å; R953-Q956 PolarHBondContact O-N 2.82Å; R953-E957 WeakPolarHBondContact O-CB 3.3Å; R953-E957 PolarHBondContact O-N 3.47Å |
| 954 | A | 85.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E916 V919 L951 E957 L958 | E916-A954 HydrophobicContact CG-CB 4.17Å; E916-A954 PolarHBondContact OE1-N 3.26Å; V919-A954 HydrophobicContact CB-CB 4.23Å; V919-A954 HydrophobicContact CG1-CB 3.68Å; L951-A954 HydrophobicContact CB-CB 3.77Å; L951-A954 HydrophobicContact CD1-CB 4.41Å; L951-A954 PolarHBondContact O-N 2.99Å; A954-E957 PolarHBondContact O-N 3.35Å; A954-L958 WeakPolarHBondContact O-CB 3.27Å; A954-L958 VanDerWaalsContact O-CG 3.25Å; A954-L958 WeakPolarHBondContact O-CG 3.35Å; A954-L958 PolarHBondContact O-N 3.42Å |
| 955 | V | 85.3 | Confident | 83.7 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.4 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | L943 A946 A947 L951 R953 E957 L958 L959 | L943-V955 HydrophobicContact CD1-CG1 4.09Å; A946-V955 HydrophobicContact CB-CG2 3.86Å; A947-V955 HydrophobicContact CB-CG2 4.29Å; L951-V955 WeakPolarHBondContact O-CB 3.41Å; L951-V955 VanDerWaalsContact O-CG2 3.22Å; L951-V955 WeakPolarHBondContact O-CG2 3.47Å; L951-V955 PolarHBondContact O-N 3.45Å; R953-V955 PolarHBondContact O-N 2.97Å; V955-E957 VanDerWaalsContact C-N 3.34Å; V955-E957 PolarHBondContact O-N 3.02Å; V955-L958 PolarHBondContact O-N 3.46Å; V955-L959 HydrophobicContact CG1-CD1 3.99Å; V955-L959 WeakPolarHBondContact O-CB 3.26Å; V955-L959 VanDerWaalsContact O-CG 3.23Å; V955-L959 WeakPolarHBondContact O-CG 3.47Å; V955-L959 PolarHBondContact O-N 3.22Å |
| 956 | Q | 85.4 | Confident | 82.8 | Confident | 136 Ų | 136 | 72.4 Ų | 72.4 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 176.6 | -75.2 | 174 | -8.1 | 0 | 0 | 112.1 | K952 R953 L959 S960 | K952-Q956 WeakPolarHBondContact O-CG 3.36Å; K952-Q956 PolarHBondContact O-N 3.07Å; K952-Q956 VanDerWaalsContact O-N 3.16Å; R953-Q956 PolarHBondContact O-N 2.82Å; Q956-L959 PolarHBondContact O-N 2.95Å; Q956-S960 WeakPolarHBondContact O-CB 3.23Å; Q956-S960 PolarHBondContact O-N 3.19Å |
| 957 | E | 84.8 | Confident | 81.7 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.6 | -34.8 | -179.9 | -170.9 | 59.8 | -164.8 | 0 | 0 | 112.4 | L920 M923 R953 A954 V955 L959 S960 R961 | L920-E957 HydrophobicContact CD2-CB 3.96Å; L920-E957 HydrophobicContact CD2-CG 4.13Å; M923-E957 HydrophobicContact CE-CB 4.1Å; M923-E957 HydrophobicContact CE-CG 3.65Å; M923-E957 HydrophobicContact SD-CG 4.36Å; R953-E957 WeakPolarHBondContact O-CB 3.3Å; R953-E957 PolarHBondContact O-N 3.47Å; A954-E957 PolarHBondContact O-N 3.35Å; V955-E957 VanDerWaalsContact C-N 3.34Å; V955-E957 PolarHBondContact O-N 3.02Å; E957-L959 VanDerWaalsContact C-N 3.33Å; E957-L959 PolarHBondContact O-N 2.89Å; E957-S960 WeakPolarHBondContact CA-OG 3.26Å; E957-S960 PolarHBondContact O-N 3.37Å; E957-S960 PolarHBondContact O-OG 3.29Å; E957-S960 PolarHBondContact OE2-OG 3.03Å; E957-S960 VanDerWaalsContact OE2-OG 3.09Å; E957-R961 WeakPolarHBondContact O-CG 3.34Å; E957-R961 PolarHBondContact O-N 2.96Å; E957-R961 VanDerWaalsContact O-N 3.09Å; E957-R961 IonicContact OE1-CZ 3.96Å; E957-R961 IonicContact OE1-NE 3.7Å; E957-R961 PolarHBondContact OE1-NE 3.02Å; E957-R961 IonicContact OE1-NH2 3.02Å; E957-R961 PolarHBondContact OE1-NH2 3.04Å |
| 958 | L | 84.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 174.2 | -77.2 | 166 | 0 | 0 | 0 | 110.5 | L907 M923 I932 P942 L943 A946 A954 V955 R961 G962 A963 | L907-L958 HydrophobicContact CD2-CD2 4.47Å; M923-L958 HydrophobicContact CE-CB 4.33Å; M923-L958 HydrophobicContact CE-CD2 3.59Å; M923-L958 HydrophobicContact CE-CG 3.8Å; M923-L958 HydrophobicContact SD-CD2 3.63Å; M923-L958 HydrophobicContact SD-CG 3.76Å; I932-L958 HydrophobicContact CG2-CD2 4.07Å; P942-L958 HydrophobicContact CB-CD1 4.49Å; P942-L958 HydrophobicContact CB-CD2 4.45Å; L943-L958 HydrophobicContact CD1-CB 4.08Å; L943-L958 HydrophobicContact CD1-CD1 4.48Å; A946-L958 HydrophobicContact CB-CD1 3.84Å; A954-L958 WeakPolarHBondContact O-CB 3.27Å; A954-L958 VanDerWaalsContact O-CG 3.25Å; A954-L958 WeakPolarHBondContact O-CG 3.35Å; A954-L958 PolarHBondContact O-N 3.42Å; V955-L958 PolarHBondContact O-N 3.46Å; L958-R961 PolarHBondContact O-N 3.37Å; L958-G962 PolarHBondContact O-N 3.39Å; L958-A963 HydrophobicContact CB-CB 4.08Å; L958-A963 WeakPolarHBondContact O-CB 3.16Å; L958-A963 PolarHBondContact O-N 3.11Å |
| 959 | L | 83.5 | Confident | 79.5 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 42% | 0.419 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 174.6 | -68.8 | 171.9 | 0 | 0 | 0 | 112.1 | L943 V955 Q956 E957 R961 G962 V965 | L943-L959 HydrophobicContact CD1-CD2 4.22Å; L943-L959 HydrophobicContact CD1-CG 4.19Å; L943-L959 HydrophobicContact CD2-CD2 3.91Å; V955-L959 HydrophobicContact CG1-CD1 3.99Å; V955-L959 WeakPolarHBondContact O-CB 3.26Å; V955-L959 VanDerWaalsContact O-CG 3.23Å; V955-L959 WeakPolarHBondContact O-CG 3.47Å; V955-L959 PolarHBondContact O-N 3.22Å; Q956-L959 PolarHBondContact O-N 2.95Å; E957-L959 VanDerWaalsContact C-N 3.33Å; E957-L959 PolarHBondContact O-N 2.89Å; L959-R961 PolarHBondContact O-N 3.25Å; L959-G962 PolarHBondContact O-N 3.13Å; L959-V965 HydrophobicContact CD2-CG2 3.42Å; L959-V965 VanDerWaalsContact CD2-CG2 3.42Å |
| 960 | S | 83.6 | Confident | 78.1 | Confident | 79 Ų | 79 | 73.4 Ų | 73.4 | 55% | 0.552 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.6 | -31.1 | 178.8 | 78.6 | 0 | 0 | 0 | 0 | 112.2 | Q956 E957 | Q956-S960 WeakPolarHBondContact O-CB 3.23Å; Q956-S960 PolarHBondContact O-N 3.19Å; E957-S960 WeakPolarHBondContact CA-OG 3.26Å; E957-S960 PolarHBondContact O-N 3.37Å; E957-S960 PolarHBondContact O-OG 3.29Å; E957-S960 PolarHBondContact OE2-OG 3.03Å; E957-S960 VanDerWaalsContact OE2-OG 3.09Å |
| 961 | R | 79.9 | Confident | 76.7 | Confident | 104 Ų | 104 | 76.6 Ų | 76.6 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 10.6 | 179 | -63.2 | -168 | 178.8 | -144.4 | 3.8 | 115.1 | M923 I932 E957 L958 L959 | M923-R961 HydrophobicContact CE-CG 4.46Å; M923-R961 PolarHBondContact O-NH1 2.96Å; I932-R961 HydrophobicContact CD1-CB 3.7Å; E957-R961 WeakPolarHBondContact O-CG 3.34Å; E957-R961 PolarHBondContact O-N 2.96Å; E957-R961 VanDerWaalsContact O-N 3.09Å; E957-R961 IonicContact OE1-CZ 3.96Å; E957-R961 IonicContact OE1-NE 3.7Å; E957-R961 PolarHBondContact OE1-NE 3.02Å; E957-R961 IonicContact OE1-NH2 3.02Å; E957-R961 PolarHBondContact OE1-NH2 3.04Å; L958-R961 PolarHBondContact O-N 3.37Å; L959-R961 PolarHBondContact O-N 3.25Å |
| 962 | G | 78.8 | Confident | 74.7 | Confident | 47 Ų | 47 | 80 Ų | 80 | 49% | 0.485 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 27.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N933 L958 L959 N964 | N933-G962 PolarHBondContact ND2-O 3.01Å; N933-G962 VanDerWaalsContact ND2-O 3.07Å; L958-G962 PolarHBondContact O-N 3.39Å; L959-G962 PolarHBondContact O-N 3.13Å; G962-N964 PolarHBondContact O-N 2.88Å |
| 963 | A | 79.9 | Confident | 72.6 | Confident | 10 Ų | 10 | 80 Ų | 80 | 8% | 0.083 | 44% | 0.438 | C | S | . | . | trans | -62.6 | 130.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I932 N933 L943 L958 | I932-A963 HydrophobicContact CG2-CB 3.77Å; N933-A963 WeakPolarHBondContact OD1-CA 3.42Å; L943-A963 HydrophobicContact CB-CB 4.17Å; L943-A963 HydrophobicContact CD2-CB 3.93Å; L943-A963 HydrophobicContact CG-CB 4.43Å; L958-A963 HydrophobicContact CB-CB 4.08Å; L958-A963 WeakPolarHBondContact O-CB 3.16Å; L958-A963 PolarHBondContact O-N 3.11Å | ||
| 964 | N | 78.4 | Confident | 70.2 | Confident | 73 Ų | 73 | 82.3 Ų | 82.3 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | trans | -78.4 | 123.9 | -179.1 | -170.6 | 1.2 | 0 | 0 | 0 | 110.6 | N933 G962 Q966 T967 | N933-N964 PolarHBondContact OD1-N 3.15Å; G962-N964 PolarHBondContact O-N 2.88Å; N964-Q966 VanDerWaalsContact C-N 3.34Å; N964-Q966 PolarHBondContact OD1-N 3.47Å; N964-T967 HydrophobicContact CB-CG2 4.07Å; N964-T967 PolarHBondContact O-OG1 3.31Å | ||
| 965 | V | 70.9 | Confident | 67.9 | Low | 86 Ų | 86 | 89.3 Ų | 89.3 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -13.3 | 178.9 | -169.3 | 0 | 0 | 0 | 0 | 112 | L943 L959 L975 | L943-V965 HydrophobicContact CD2-CG2 4.24Å; L959-V965 HydrophobicContact CD2-CG2 3.42Å; L959-V965 VanDerWaalsContact CD2-CG2 3.42Å; V965-L975 HydrophobicContact CG1-CD1 4.25Å |
| 966 | Q | 66.5 | Low | 65.5 | Low | 176 Ų | 176 | 93.3 Ų | 93.3 | 82% | 0.822 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 1.7 | -176.1 | -61.3 | -170.5 | -10.3 | 0 | 0 | 114 | N964 A968 | N964-Q966 VanDerWaalsContact C-N 3.34Å; N964-Q966 PolarHBondContact OD1-N 3.47Å; Q966-A968 PolarHBondContact O-N 3.26Å |
| 967 | T | 63.7 | Low | 63.3 | Low | 39 Ų | 39 | 92.7 Ų | 92.7 | 24% | 0.239 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 123.1 | 173.5 | 42.4 | 0 | 0 | 0 | 0 | 108.7 | T941 H944 N964 | T941-T967 HydrophobicContact CG2-CG2 4.48Å; H944-T967 PolarHBondContact CE1-O 3.34Å; H944-T967 PolarHBondContact CE1-OG1 2.77Å; H944-T967 PolarHBondContact NE2-O 2.89Å; N964-T967 HydrophobicContact CB-CG2 4.07Å; N964-T967 PolarHBondContact O-OG1 3.31Å |
| 968 | A | 60.4 | Low | 61.1 | Low | 78 Ų | 78 | 99 Ų | 99 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 130 | 177 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q966 | Q966-A968 PolarHBondContact O-N 3.26Š|
| 969 | D | 62.5 | Low | 58.3 | Low | 30 Ų | 30 | 103.8 Ų | 103.8 | 16% | 0.16 | 60% | 0.595 | C | S | . | * | P | Polyproline II helix | trans | -79 | 167.2 | 164.2 | 92.5 | -14.7 | 0 | 0 | 0 | 110.8 | Q940 N971 A972 | Q940-D969 HydrophobicContact CG-CB 3.86Å; Q940-D969 PolarHBondContact NE2-OD2 3.47Å; D969-N971 PolarHBondContact O-N 2.84Å; D969-N971 VanDerWaalsContact O-N 3.08Å; D969-N971 WeakPolarHBondContact OD1-CA 3.32Å; D969-N971 PolarHBondContact OD1-N 2.86Å; D969-N971 VanDerWaalsContact OD1-O 3.13Å; D969-A972 PolarHBondContact OD1-N 3.06Å |
| 970 | E | 56 | Low | 56.3 | Low | 136 Ų | 136 | 105.9 Ų | 105.9 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -15.2 | 178.3 | -76 | -170.1 | 142.9 | 0 | 0 | 113.9 | L939 | L939-E970 HydrophobicContact CD1-CG 4.1Å; L939-E970 HydrophobicContact CG-CG 4.4Å |
| 971 | N | 57.8 | Low | 53.9 | Low | 118 Ų | 118 | 112 Ų | 112 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 56.2 | -179.2 | -62.7 | -50.7 | 0 | 0 | 0 | 111.1 | D969 L973 | D969-N971 PolarHBondContact O-N 2.84Å; D969-N971 VanDerWaalsContact O-N 3.08Å; D969-N971 WeakPolarHBondContact OD1-CA 3.32Å; D969-N971 PolarHBondContact OD1-N 2.86Å; D969-N971 VanDerWaalsContact OD1-O 3.13Å; N971-L973 PolarHBondContact O-N 3.02Å |
| 972 | A | 46.2 | Very low | 52.7 | Low | 84 Ų | 84 | 112.5 Ų | 112.5 | 69% | 0.694 | 67% | 0.667 | S | S | * | * | trans | -36.8 | 108.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D969 | D969-A972 PolarHBondContact OD1-N 3.06Š| ||
| 973 | L | 42.7 | Very low | 51.3 | Low | 166 Ų | 166 | 115.9 Ų | 115.9 | 87% | 0.869 | 68% | 0.677 | S | S | * | * | trans | -131.8 | 108.7 | 162.7 | -88.7 | 163.4 | 0 | 0 | 0 | 109.1 | N971 L975 | N971-L973 PolarHBondContact O-N 3.02Å; L973-L975 PolarHBondContact O-N 2.81Å | ||
| 974 | E | 37 | Very low | 49.7 | Very low | 193 Ų | 193 | 121.8 Ų | 121.8 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 124.1 | 175.2 | -63.2 | 175.9 | 153.3 | 0 | 0 | 111.4 | ||
| 975 | L | 37.9 | Very low | 48 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 121.5 | 161.1 | -78.1 | 162.3 | 0 | 0 | 0 | 108.2 | V965 L973 | V965-L975 HydrophobicContact CG1-CD1 4.25Å; L973-L975 PolarHBondContact O-N 2.81Å |
| 976 | P | 34.1 | Very low | 46.6 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 147.5 | -176 | 29.2 | -32.4 | 0 | 0 | 0 | 111.5 | ||
| 977 | P | 39.5 | Very low | 45.2 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 133.4 | -177.2 | 32.3 | -31.4 | 0 | 0 | 0 | 111.8 | ||
| 978 | Q | 38.8 | Very low | 43.9 | Very low | 196 Ų | 196 | 129.9 Ų | 129.9 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | 50.7 | 124.2 | 159 | -62.5 | -171 | -7.4 | 0 | 0 | 120.3 | ||||
| 979 | A | 25.7 | Very low | 42.6 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -152.1 | 147.6 | 135.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 980 | P | 41.4 | Very low | 41 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 81% | 0.805 | 83% | 0.833 | S | S | * | * | trans | -110.5 | 146.5 | -163.1 | 37.9 | -26.1 | 0 | 0 | 0 | 115.6 | ||||
| 981 | C | 34.6 | Very low | 39.6 | Very low | 209 Ų | 209 | 143.1 Ų | 143.1 | 100% | 1.412 | 85% | 0.851 | S | S | * | * | trans | 148.1 | 0 | 149.1 | -78.6 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 981 of 981 residues in 636 ms
(Link to these results)