| 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 | 33.5 | Very low | 44.8 | Very low | 255 Ų | 255 | 111 Ų | 111 | 100% | 1.256 | 64% | 0.642 | S | S | * | * | 0 | 72 | 0 | -77.8 | 174.7 | 156 | 0 | 0 | 110.8 | |||||
| 2 | A | 36.9 | Very low | 45.3 | Very low | 95 Ų | 95 | 110.8 Ų | 110.8 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | trans | -140.3 | 23 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | K | 39.5 | Very low | 45.8 | Very low | 201 Ų | 201 | 116 Ų | 116 | 87% | 0.874 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -96.7 | -4.9 | 179 | -77.3 | -169.9 | 174.8 | -176.6 | 0 | 115 | ||
| 4 | G | 39.1 | Very low | 46.2 | Very low | 63 Ų | 63 | 115.6 Ų | 115.6 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -85.1 | -28 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 5 | G | 45 | Very low | 46.5 | Very low | 50 Ų | 50 | 110.8 Ų | 110.8 | 52% | 0.515 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.8 | -36.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E9 | G5-E9 WeakPolarHBondContact O-CB 3.38Å; G5-E9 PolarHBondContact O-N 2.74Å |
| 6 | N | 51.1 | Low | 47 | Very low | 113 Ų | 113 | 108.6 Ų | 108.6 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.6 | -36.7 | -170.2 | -148.4 | 14.4 | 0 | 0 | 0 | 112.6 | L10 | N6-L10 WeakPolarHBondContact O-CB 3.29Å; N6-L10 VanDerWaalsContact O-CD1 3.29Å; N6-L10 WeakPolarHBondContact O-CD1 3.44Å; N6-L10 VanDerWaalsContact O-CG 3.24Å; N6-L10 WeakPolarHBondContact O-CG 3.44Å; N6-L10 PolarHBondContact O-N 3.41Å |
| 7 | A | 50.6 | Low | 47.7 | Very low | 59 Ų | 59 | 106.3 Ų | 106.3 | 49% | 0.488 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.5 | -43.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L10 D11 | A7-L10 PolarHBondContact O-N 3.48Å; A7-D11 WeakPolarHBondContact O-CB 3.32Å; A7-D11 PolarHBondContact O-N 2.9Å |
| 8 | H | 47.5 | Very low | 48.8 | Very low | 125 Ų | 125 | 100.6 Ų | 100.6 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.5 | -37.8 | 180 | -165.5 | -10.7 | 0 | 0 | 0 | 111.9 | D11 L12 | H8-D11 PolarHBondContact O-N 3.14Å; H8-L12 WeakPolarHBondContact O-CB 3.05Å; H8-L12 WeakPolarHBondContact O-CG 3.44Å; H8-L12 PolarHBondContact O-N 3.24Å |
| 9 | E | 46.7 | Very low | 50.3 | Low | 104 Ų | 104 | 99.2 Ų | 99.2 | 49% | 0.486 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.8 | -37.2 | 176 | -163.7 | 173.4 | 162.7 | 0 | 0 | 111.9 | G5 L12 R13 | G5-E9 WeakPolarHBondContact O-CB 3.38Å; G5-E9 PolarHBondContact O-N 2.74Å; E9-L12 PolarHBondContact O-N 2.7Å; E9-R13 WeakPolarHBondContact O-CB 3.33Å; E9-R13 WeakPolarHBondContact O-CG 3.4Å; E9-R13 PolarHBondContact O-N 2.98Å; E9-R13 IonicContact OE1-NE 3.79Å; E9-R13 IonicContact OE1-NH2 3.48Å; E9-R13 PolarHBondContact OE1-NH2 3.48Å |
| 10 | L | 49.7 | Very low | 51.5 | Low | 75 Ų | 75 | 100.7 Ų | 100.7 | 39% | 0.393 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.4 | -43.9 | 169.4 | -83.8 | 159.2 | 0 | 0 | 0 | 111.4 | N6 A7 R13 R14 | N6-L10 WeakPolarHBondContact O-CB 3.29Å; N6-L10 VanDerWaalsContact O-CD1 3.29Å; N6-L10 WeakPolarHBondContact O-CD1 3.44Å; N6-L10 VanDerWaalsContact O-CG 3.24Å; N6-L10 WeakPolarHBondContact O-CG 3.44Å; N6-L10 PolarHBondContact O-N 3.41Å; A7-L10 PolarHBondContact O-N 3.48Å; L10-R13 PolarHBondContact O-N 3.29Å; L10-R14 WeakPolarHBondContact O-CB 3.23Å; L10-R14 WeakPolarHBondContact O-CD 3.16Å; L10-R14 WeakPolarHBondContact O-CG 3.24Å; L10-R14 PolarHBondContact O-N 2.79Å |
| 11 | D | 53.3 | Low | 52.7 | Low | 81 Ų | 81 | 98.2 Ų | 98.2 | 43% | 0.433 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.9 | -34.4 | 177.7 | -81.9 | -9.6 | 0 | 0 | 0 | 113 | A7 H8 S15 | A7-D11 WeakPolarHBondContact O-CB 3.32Å; A7-D11 PolarHBondContact O-N 2.9Å; H8-D11 PolarHBondContact O-N 3.14Å; D11-S15 VanDerWaalsContact O-CB 3.24Å; D11-S15 WeakPolarHBondContact O-CB 3.19Å; D11-S15 PolarHBondContact O-N 3.07Å; D11-S15 PolarHBondContact O-OG 3.41Å |
| 12 | L | 51.2 | Low | 55 | Low | 108 Ų | 108 | 88 Ų | 88 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.2 | -45.5 | 173.3 | -79 | 165.3 | 0 | 0 | 0 | 111.3 | H8 E9 S15 A16 | H8-L12 WeakPolarHBondContact O-CB 3.05Å; H8-L12 WeakPolarHBondContact O-CG 3.44Å; H8-L12 PolarHBondContact O-N 3.24Å; E9-L12 PolarHBondContact O-N 2.7Å; L12-S15 PolarHBondContact O-N 3.41Å; L12-A16 PolarHBondContact O-N 3.22Å |
| 13 | R | 51.3 | Low | 57.1 | Low | 179 Ų | 179 | 87 Ų | 87 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.7 | -38.1 | 174.3 | -71.9 | -175.4 | -179.2 | -154.1 | 3.2 | 111.9 | E9 L10 A16 A17 | E9-R13 WeakPolarHBondContact O-CB 3.33Å; E9-R13 WeakPolarHBondContact O-CG 3.4Å; E9-R13 PolarHBondContact O-N 2.98Å; E9-R13 IonicContact OE1-NE 3.79Å; E9-R13 IonicContact OE1-NH2 3.48Å; E9-R13 PolarHBondContact OE1-NH2 3.48Å; L10-R13 PolarHBondContact O-N 3.29Å; R13-A16 WeakPolarHBondContact O-CB 3.46Å; R13-A16 PolarHBondContact O-N 2.94Å; R13-A17 PolarHBondContact O-N 3.5Å |
| 14 | R | 51.2 | Low | 59.1 | Low | 110 Ų | 110 | 80.3 Ų | 80.3 | 42% | 0.415 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 174.5 | -77 | 169.7 | 174.1 | -173.9 | -5.3 | 112.4 | L10 A16 A17 L305 | L10-R14 WeakPolarHBondContact O-CB 3.23Å; L10-R14 WeakPolarHBondContact O-CD 3.16Å; L10-R14 WeakPolarHBondContact O-CG 3.24Å; L10-R14 PolarHBondContact O-N 2.79Å; R14-A16 VanDerWaalsContact C-N 3.25Å; R14-A16 PolarHBondContact O-N 3.32Å; R14-A17 VanDerWaalsContact O-CB 3.23Å; R14-A17 WeakPolarHBondContact O-CB 3.46Å; R14-A17 PolarHBondContact O-N 3.02Å; R14-L305 HydrophobicContact CB-CD1 4.05Å; R14-L305 HydrophobicContact CB-CD2 3.97Å; R14-L305 HydrophobicContact CG-CD2 4.38Å |
| 15 | S | 51.7 | Low | 61.3 | Low | 44 Ų | 44 | 80.8 Ų | 80.8 | 31% | 0.308 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.5 | -28.3 | 172.6 | -69.7 | 0 | 0 | 0 | 0 | 112.6 | D11 L12 A17 K23 | D11-S15 VanDerWaalsContact O-CB 3.24Å; D11-S15 WeakPolarHBondContact O-CB 3.19Å; D11-S15 PolarHBondContact O-N 3.07Å; D11-S15 PolarHBondContact O-OG 3.41Å; L12-S15 PolarHBondContact O-N 3.41Å; S15-A17 VanDerWaalsContact C-N 3.25Å; S15-A17 PolarHBondContact O-N 3.32Å; S15-K23 VanDerWaalsContact O-CE 3.22Å; S15-K23 WeakPolarHBondContact O-CE 3.31Å; S15-K23 PolarHBondContact O-NZ 2.93Å |
| 16 | A | 54.2 | Low | 63.3 | Low | 76 Ų | 76 | 79.7 Ų | 79.7 | 63% | 0.628 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -68.2 | -25.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 R13 R14 L18 | L12-A16 PolarHBondContact O-N 3.22Å; R13-A16 WeakPolarHBondContact O-CB 3.46Å; R13-A16 PolarHBondContact O-N 2.94Å; R14-A16 VanDerWaalsContact C-N 3.25Å; R14-A16 PolarHBondContact O-N 3.32Å; A16-L18 VanDerWaalsContact C-N 3.32Å; A16-L18 PolarHBondContact O-N 2.86Å |
| 17 | A | 59.1 | Low | 65 | Low | 69 Ų | 69 | 75.5 Ų | 75.5 | 57% | 0.57 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R13 R14 S15 P19 | R13-A17 PolarHBondContact O-N 3.5Å; R14-A17 VanDerWaalsContact O-CB 3.23Å; R14-A17 WeakPolarHBondContact O-CB 3.46Å; R14-A17 PolarHBondContact O-N 3.02Å; S15-A17 VanDerWaalsContact C-N 3.25Å; S15-A17 PolarHBondContact O-N 3.32Å; A17-P19 VanDerWaalsContact O-CD 3.32Å; A17-P19 WeakPolarHBondContact O-CD 3.11Å |
| 18 | L | 67.6 | Low | 66.8 | Low | 4 Ų | 4 | 73.3 Ų | 73.3 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -75.2 | 120.5 | 177.7 | -79.8 | 163.6 | 0 | 0 | 0 | 110.9 | A16 L22 K23 F26 K301 Y304 | A16-L18 VanDerWaalsContact C-N 3.32Å; A16-L18 PolarHBondContact O-N 2.86Å; L18-L22 HydrophobicContact CD2-CD2 3.5Å; L18-L22 HydrophobicContact CD2-CG 4.13Å; L18-K23 HydrophobicContact CB-CD 4.4Å; L18-K23 HydrophobicContact CB-CG 3.89Å; L18-K23 WeakPolarHBondContact O-CE 3.49Å; L18-K23 PolarHBondContact O-NZ 3.46Å; L18-F26 HydrophobicContact CD2-CE2 4.03Å; L18-K301 HydrophobicContact CD1-CB 4.34Å; L18-K301 HydrophobicContact CD1-CD 4.24Å; L18-K301 HydrophobicContact CD1-CG 3.72Å; L18-Y304 HydrophobicContact CD2-CD1 3.31Å; L18-Y304 HydrophobicContact CD2-CE1 3.54Å; L18-Y304 HydrophobicContact CD2-CG 3.92Å; L18-Y304 HydrophobicContact CG-CD1 4.32Å; L18-Y304 HydrophobicContact CG-CE1 4.47Å |
| 19 | P | 76.6 | Confident | 68.8 | Low | 74 Ų | 74 | 70.1 Ų | 70.1 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | trans | -56.3 | 145.7 | 174.1 | -23.8 | 33.8 | 0 | 0 | 0 | 111.6 | A17 G21 L22 K23 | A17-P19 VanDerWaalsContact O-CD 3.32Å; A17-P19 WeakPolarHBondContact O-CD 3.11Å; P19-G21 PolarHBondContact O-N 3.4Å; P19-L22 PolarHBondContact O-N 3.38Å; P19-K23 PolarHBondContact O-N 2.81Å | ||
| 20 | N | 75 | Confident | 71 | Confident | 128 Ų | 128 | 65.1 Ų | 65.1 | 68% | 0.684 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.2 | -36.5 | -177.5 | -72.2 | -21 | 0 | 0 | 0 | 112.8 | L22 K23 F24 | N20-L22 VanDerWaalsContact C-N 3.32Å; N20-L22 PolarHBondContact O-N 2.91Å; N20-K23 PolarHBondContact O-N 3.41Å; N20-F24 WeakPolarHBondContact O-CB 3.46Å; N20-F24 PolarHBondContact O-N 2.77Å |
| 21 | G | 76.8 | Confident | 72.9 | Confident | 49 Ų | 49 | 62 Ų | 62 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P19 F24 V25 | P19-G21 PolarHBondContact O-N 3.4Å; G21-F24 WeakPolarHBondContact O-CB 3.31Å; G21-F24 PolarHBondContact O-N 3.23Å; G21-V25 WeakPolarHBondContact O-CG2 3.37Å; G21-V25 PolarHBondContact O-N 3.4Å |
| 22 | L | 81.8 | Confident | 74.7 | Confident | 40 Ų | 40 | 61 Ų | 61 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.7 | -39 | 179 | -168.1 | 61.5 | 0 | 0 | 0 | 111.9 | L18 P19 N20 F24 V25 F26 Y304 | L18-L22 HydrophobicContact CD2-CD2 3.5Å; L18-L22 HydrophobicContact CD2-CG 4.13Å; P19-L22 PolarHBondContact O-N 3.38Å; N20-L22 VanDerWaalsContact C-N 3.32Å; N20-L22 PolarHBondContact O-N 2.91Å; L22-F24 PolarHBondContact O-N 2.89Å; L22-V25 PolarHBondContact O-N 3.38Å; L22-F26 HydrophobicContact CD1-CD1 4.03Å; L22-F26 HydrophobicContact CD1-CE1 3.45Å; L22-F26 VanDerWaalsContact CD1-CE1 3.45Å; L22-F26 HydrophobicContact CD1-CE2 4.32Å; L22-F26 HydrophobicContact CD1-CZ 3.61Å; L22-F26 HydrophobicContact CD2-CE2 4.09Å; L22-F26 HydrophobicContact CD2-CZ 3.88Å; L22-F26 HydrophobicContact CG-CD1 4.35Å; L22-F26 HydrophobicContact CG-CD2 4.31Å; L22-F26 HydrophobicContact CG-CE1 3.92Å; L22-F26 HydrophobicContact CG-CE2 3.87Å; L22-F26 HydrophobicContact CG-CZ 3.65Å; L22-F26 WeakPolarHBondContact O-CB 3.47Å; L22-F26 WeakPolarHBondContact O-CG 3.48Å; L22-F26 PolarHBondContact O-N 3.45Å; L22-Y304 HydrophobicContact CD2-CD1 4.24Å; L22-Y304 HydrophobicContact CD2-CD2 3.52Å; L22-Y304 HydrophobicContact CD2-CE1 4.04Å; L22-Y304 HydrophobicContact CD2-CE2 3.27Å; L22-Y304 HydrophobicContact CD2-CG 3.98Å |
| 23 | K | 79.6 | Confident | 76.8 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 33% | 0.326 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.4 | -40 | 169.8 | -69.7 | 173.3 | 175.7 | 150.3 | 0 | 111.1 | S15 L18 P19 N20 G27 | S15-K23 VanDerWaalsContact O-CE 3.22Å; S15-K23 WeakPolarHBondContact O-CE 3.31Å; S15-K23 PolarHBondContact O-NZ 2.93Å; L18-K23 HydrophobicContact CB-CD 4.4Å; L18-K23 HydrophobicContact CB-CG 3.89Å; L18-K23 WeakPolarHBondContact O-CE 3.49Å; L18-K23 PolarHBondContact O-NZ 3.46Å; P19-K23 PolarHBondContact O-N 2.81Å; N20-K23 PolarHBondContact O-N 3.41Å; K23-G27 PolarHBondContact O-N 3.38Å |
| 24 | F | 81.4 | Confident | 78.8 | Confident | 60 Ų | 60 | 50.8 Ų | 50.8 | 26% | 0.263 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.2 | -50.7 | 176.5 | 170 | -93.9 | 0 | 0 | 0 | 112.1 | N20 G21 L22 F26 G27 G28 T93 L96 | N20-F24 WeakPolarHBondContact O-CB 3.46Å; N20-F24 PolarHBondContact O-N 2.77Å; G21-F24 WeakPolarHBondContact O-CB 3.31Å; G21-F24 PolarHBondContact O-N 3.23Å; L22-F24 PolarHBondContact O-N 2.89Å; F24-F26 VanDerWaalsContact C-N 3.35Å; F24-F26 PolarHBondContact O-N 2.93Å; F24-G27 PolarHBondContact O-N 3.28Å; F24-G28 PolarHBondContact O-N 3.45Å; F24-T93 HydrophobicContact CZ-CG2 3.83Å; F24-T93 WeakPolarHBondContact CZ-OG1 3.44Å; F24-L96 HydrophobicContact CD2-CB 3.85Å; F24-L96 HydrophobicContact CD2-CD1 3.46Å; F24-L96 VanDerWaalsContact CD2-CD1 3.46Å; F24-L96 HydrophobicContact CD2-CG 4.28Å; F24-L96 HydrophobicContact CE2-CB 3.87Å; F24-L96 HydrophobicContact CE2-CD1 3.75Å; F24-L96 HydrophobicContact CE2-CG 4.36Å |
| 25 | V | 86.2 | Confident | 80.8 | Confident | 74 Ų | 74 | 45.5 Ų | 45.5 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | G21 L22 G27 G28 T29 | G21-V25 WeakPolarHBondContact O-CG2 3.37Å; G21-V25 PolarHBondContact O-N 3.4Å; L22-V25 PolarHBondContact O-N 3.38Å; V25-G27 PolarHBondContact O-N 2.89Å; V25-G28 PolarHBondContact O-N 3.43Å; V25-T29 WeakPolarHBondContact O-CB 3.1Å; V25-T29 PolarHBondContact O-N 3.17Å; V25-T29 PolarHBondContact O-OG1 3.25Å |
| 26 | F | 87.6 | Confident | 82.7 | Confident | 27 Ų | 27 | 47.5 Ų | 47.5 | 12% | 0.118 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 178.3 | -68.5 | -4.4 | 0 | 0 | 0 | 112 | L18 L22 F24 A30 L297 M300 K301 Y304 | L18-F26 HydrophobicContact CD2-CE2 4.03Å; L22-F26 HydrophobicContact CD1-CD1 4.03Å; L22-F26 HydrophobicContact CD1-CE1 3.45Å; L22-F26 VanDerWaalsContact CD1-CE1 3.45Å; L22-F26 HydrophobicContact CD1-CE2 4.32Å; L22-F26 HydrophobicContact CD1-CZ 3.61Å; L22-F26 HydrophobicContact CD2-CE2 4.09Å; L22-F26 HydrophobicContact CD2-CZ 3.88Å; L22-F26 HydrophobicContact CG-CD1 4.35Å; L22-F26 HydrophobicContact CG-CD2 4.31Å; L22-F26 HydrophobicContact CG-CE1 3.92Å; L22-F26 HydrophobicContact CG-CE2 3.87Å; L22-F26 HydrophobicContact CG-CZ 3.65Å; L22-F26 WeakPolarHBondContact O-CB 3.47Å; L22-F26 WeakPolarHBondContact O-CG 3.48Å; L22-F26 PolarHBondContact O-N 3.45Å; F24-F26 VanDerWaalsContact C-N 3.35Å; F24-F26 PolarHBondContact O-N 2.93Å; F26-A30 WeakPolarHBondContact O-CB 3.46Å; F26-A30 PolarHBondContact O-N 3.04Å; F26-L297 HydrophobicContact CB-CD1 3.8Å; F26-M300 HydrophobicContact CB-CE 4.1Å; F26-M300 HydrophobicContact CD1-CB 4.3Å; F26-M300 HydrophobicContact CD1-SD 4.24Å; F26-M300 HydrophobicContact CD2-CB 4.09Å; F26-M300 HydrophobicContact CE2-CB 4.34Å; F26-M300 HydrophobicContact CG-CB 4.07Å; F26-M300 HydrophobicContact CG-SD 4.49Å; F26-M300 WeakPolarHBondContact O-CE 3.21Å; F26-K301 HydrophobicContact CD2-CG 4.27Å; F26-Y304 HydrophobicContact CE2-CG 4.3Å; F26-Y304 HydrophobicContact CZ-CD2 4.26Å; F26-Y304 HydrophobicContact CZ-CG 4.25Å |
| 27 | G | 85.9 | Confident | 84.6 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K23 F24 V25 G31 | K23-G27 PolarHBondContact O-N 3.38Å; F24-G27 PolarHBondContact O-N 3.28Å; V25-G27 PolarHBondContact O-N 2.89Å; G27-G31 PolarHBondContact O-N 3.12Å; G27-G31 VanDerWaalsContact O-N 3.09Å |
| 28 | G | 87.9 | Confident | 86.3 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -50.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F24 V25 A30 G31 M32 | F24-G28 PolarHBondContact O-N 3.45Å; V25-G28 PolarHBondContact O-N 3.43Å; G28-A30 PolarHBondContact O-N 2.99Å; G28-G31 PolarHBondContact O-N 3.23Å; G28-M32 WeakPolarHBondContact O-CG 3.47Å; G28-M32 PolarHBondContact O-N 2.99Å |
| 29 | T | 90.7 | Very high | 87.5 | Confident | 57 Ų | 57 | 45.4 Ų | 45.4 | 35% | 0.35 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | V25 G31 M32 L33 M300 | V25-T29 WeakPolarHBondContact O-CB 3.1Å; V25-T29 PolarHBondContact O-N 3.17Å; V25-T29 PolarHBondContact O-OG1 3.25Å; T29-G31 VanDerWaalsContact C-N 3.35Å; T29-G31 PolarHBondContact O-N 2.91Å; T29-M32 PolarHBondContact O-N 2.94Å; T29-L33 HydrophobicContact CG2-CD1 4.12Å; T29-L33 HydrophobicContact CG2-CG 4.38Å; T29-L33 WeakPolarHBondContact O-CB 3.22Å; T29-L33 WeakPolarHBondContact O-CG 3.24Å; T29-L33 PolarHBondContact O-N 3.2Å; T29-M300 HydrophobicContact CG2-SD 4.02Å |
| 30 | A | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F26 G28 M32 L33 A34 T293 F296 L297 M300 | F26-A30 WeakPolarHBondContact O-CB 3.46Å; F26-A30 PolarHBondContact O-N 3.04Å; G28-A30 PolarHBondContact O-N 2.99Å; A30-M32 VanDerWaalsContact C-N 3.35Å; A30-M32 PolarHBondContact O-N 3.45Å; A30-L33 PolarHBondContact O-N 3.22Å; A30-A34 WeakPolarHBondContact O-CB 3.22Å; A30-A34 PolarHBondContact O-N 3.05Å; A30-T293 HydrophobicContact CB-CG2 4.18Å; A30-F296 HydrophobicContact CB-CB 3.93Å; A30-L297 HydrophobicContact CB-CB 4.15Å; A30-M300 HydrophobicContact CB-CE 3.55Å |
| 31 | G | 89.8 | Confident | 89.2 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 8% | 0.082 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -36.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | G27 G28 T29 T35 | G27-G31 PolarHBondContact O-N 3.12Å; G27-G31 VanDerWaalsContact O-N 3.09Å; G28-G31 PolarHBondContact O-N 3.23Å; T29-G31 VanDerWaalsContact C-N 3.35Å; T29-G31 PolarHBondContact O-N 2.91Å; G31-T35 WeakPolarHBondContact O-CB 3.46Å; G31-T35 PolarHBondContact O-N 3.06Å; G31-T35 PolarHBondContact O-OG1 2.9Å |
| 32 | M | 92.2 | Very high | 89.9 | Confident | 61 Ų | 61 | 39 Ų | 39 | 30% | 0.3 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.5 | -46.6 | 174.2 | -74.3 | 176 | 75.1 | 0 | 0 | 111.8 | G28 T29 A30 T35 F36 L85 Q88 A89 | G28-M32 WeakPolarHBondContact O-CG 3.47Å; G28-M32 PolarHBondContact O-N 2.99Å; T29-M32 PolarHBondContact O-N 2.94Å; A30-M32 VanDerWaalsContact C-N 3.35Å; A30-M32 PolarHBondContact O-N 3.45Å; M32-T35 WeakPolarHBondContact O-CB 3.28Å; M32-T35 PolarHBondContact O-N 3.34Å; M32-T35 VanDerWaalsContact O-N 3.15Å; M32-F36 PolarHBondContact O-N 3.02Å; M32-L85 HydrophobicContact CB-CD2 3.83Å; M32-L85 HydrophobicContact CE-CB 4.03Å; M32-L85 HydrophobicContact CE-CD2 4.25Å; M32-L85 HydrophobicContact CG-CD2 4.25Å; M32-L85 VanDerWaalsContact O-CD2 3.3Å; M32-L85 WeakPolarHBondContact O-CD2 3.42Å; M32-Q88 HydrophobicContact CG-CB 4.03Å; M32-A89 HydrophobicContact SD-CB 4.19Å |
| 33 | L | 94.2 | Very high | 90.4 | Very high | 72 Ų | 72 | 37 Ų | 37 | 38% | 0.377 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.8 | -43.6 | 175.4 | -71.3 | 173.2 | 0 | 0 | 0 | 111.5 | T29 A30 T35 F36 F37 F296 | T29-L33 HydrophobicContact CG2-CD1 4.12Å; T29-L33 HydrophobicContact CG2-CG 4.38Å; T29-L33 WeakPolarHBondContact O-CB 3.22Å; T29-L33 WeakPolarHBondContact O-CG 3.24Å; T29-L33 PolarHBondContact O-N 3.2Å; A30-L33 PolarHBondContact O-N 3.22Å; L33-T35 VanDerWaalsContact C-N 3.28Å; L33-T35 PolarHBondContact O-N 3.41Å; L33-F36 VanDerWaalsContact O-CB 3.28Å; L33-F36 WeakPolarHBondContact O-CB 3.41Å; L33-F36 PolarHBondContact O-N 2.9Å; L33-F37 VanDerWaalsContact O-CD2 3.24Å; L33-F37 WeakPolarHBondContact O-CD2 3.28Å; L33-F296 HydrophobicContact CB-CD2 3.54Å; L33-F296 HydrophobicContact CB-CE2 3.65Å; L33-F296 HydrophobicContact CB-CG 4.08Å; L33-F296 HydrophobicContact CB-CZ 4.27Å; L33-F296 HydrophobicContact CD1-CB 4.44Å; L33-F296 HydrophobicContact CD1-CD1 4.22Å; L33-F296 HydrophobicContact CD1-CD2 4.44Å; L33-F296 HydrophobicContact CD1-CG 4.13Å |
| 34 | A | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A30 F36 F37 V38 L292 T293 | A30-A34 WeakPolarHBondContact O-CB 3.22Å; A30-A34 PolarHBondContact O-N 3.05Å; A34-F36 VanDerWaalsContact C-N 3.3Å; A34-F36 PolarHBondContact O-N 2.91Å; A34-F37 PolarHBondContact O-N 3.48Å; A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 2.88Å; A34-L292 HydrophobicContact CB-CB 3.82Å; A34-T293 VanDerWaalsContact CB-OG1 3.29Å; A34-T293 WeakPolarHBondContact CB-OG1 3.23Å |
| 35 | T | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -35.1 | 177.8 | -61 | 0 | 0 | 0 | 0 | 112.3 | G31 M32 L33 F37 V38 Q39 Q88 | G31-T35 WeakPolarHBondContact O-CB 3.46Å; G31-T35 PolarHBondContact O-N 3.06Å; G31-T35 PolarHBondContact O-OG1 2.9Å; M32-T35 WeakPolarHBondContact O-CB 3.28Å; M32-T35 PolarHBondContact O-N 3.34Å; M32-T35 VanDerWaalsContact O-N 3.15Å; L33-T35 VanDerWaalsContact C-N 3.28Å; L33-T35 PolarHBondContact O-N 3.41Å; T35-F37 VanDerWaalsContact C-N 3.34Å; T35-F37 PolarHBondContact O-N 2.93Å; T35-V38 PolarHBondContact O-N 2.96Å; T35-Q39 WeakPolarHBondContact O-CB 3.49Å; T35-Q39 PolarHBondContact O-N 2.81Å; T35-Q88 HydrophobicContact CG2-CG 4.2Å; T35-Q88 VanDerWaalsContact OG1-CG 3.22Å; T35-Q88 WeakPolarHBondContact OG1-CG 3.49Å; T35-Q88 PolarHBondContact OG1-NE2 2.87Å |
| 36 | F | 93.4 | Very high | 92 | Very high | 85 Ų | 85 | 27.9 Ų | 27.9 | 37% | 0.373 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -53.1 | -50.9 | 173.4 | 179.4 | -91.4 | 0 | 0 | 0 | 111.7 | M32 L33 A34 Y78 L81 | M32-F36 PolarHBondContact O-N 3.02Å; L33-F36 VanDerWaalsContact O-CB 3.28Å; L33-F36 WeakPolarHBondContact O-CB 3.41Å; L33-F36 PolarHBondContact O-N 2.9Å; A34-F36 VanDerWaalsContact C-N 3.3Å; A34-F36 PolarHBondContact O-N 2.91Å; F36-Y78 HydrophobicContact CD1-CE1 4.47Å; F36-Y78 HydrophobicContact CE1-CE1 4.23Å; F36-Y78 HydrophobicContact CE2-CE1 4.31Å; F36-Y78 HydrophobicContact CZ-CE1 4.14Å; F36-Y78 VanDerWaalsContact O-CE1 3.25Å; F36-Y78 WeakPolarHBondContact O-CE1 3.34Å; F36-L81 HydrophobicContact CB-CD1 4.42Å; F36-L81 HydrophobicContact CD2-CD1 4.11Å; F36-L81 HydrophobicContact CD2-CD2 3.65Å; F36-L81 HydrophobicContact CE2-CD2 3.83Å |
| 37 | F | 93.5 | Very high | 92.1 | Very high | 105 Ų | 105 | 27.3 Ų | 27.3 | 46% | 0.461 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -73.3 | -29.8 | -177.7 | -68.5 | -82.4 | 0 | 0 | 0 | 113.8 | L33 A34 T35 P40 L292 F296 | L33-F37 VanDerWaalsContact O-CD2 3.24Å; L33-F37 WeakPolarHBondContact O-CD2 3.28Å; A34-F37 PolarHBondContact O-N 3.48Å; T35-F37 VanDerWaalsContact C-N 3.34Å; T35-F37 PolarHBondContact O-N 2.93Å; F37-P40 WeakPolarHBondContact O-CD 3.26Å; F37-L292 HydrophobicContact CB-CD1 3.58Å; F37-L292 HydrophobicContact CD2-CD1 4.14Å; F37-L292 HydrophobicContact CG-CD1 4.02Å; F37-F296 HydrophobicContact CD2-CE2 4.11Å; F37-F296 HydrophobicContact CD2-CZ 4.08Å; F37-F296 HydrophobicContact CE2-CE2 4.05Å; F37-F296 AromaticContact CE2-CZ 3.6Å; F37-F296 HydrophobicContact CE2-CZ 3.6Å; F37-F296 HydrophobicContact CZ-CZ 4.48Å |
| 38 | V | 93.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -94.1 | -4.9 | -177.5 | -52.8 | 0 | 0 | 0 | 0 | 114.3 | A34 T35 P40 F41 D42 R285 P288 H289 L292 | A34-V38 WeakPolarHBondContact O-CG2 3.36Å; A34-V38 PolarHBondContact O-N 2.88Å; T35-V38 PolarHBondContact O-N 2.96Å; V38-P40 VanDerWaalsContact C-N 3.29Å; V38-F41 HydrophobicContact CB-CD2 4.32Å; V38-F41 WeakPolarHBondContact O-CB 3.33Å; V38-F41 PolarHBondContact O-N 3.15Å; V38-D42 PolarHBondContact O-N 2.99Å; V38-R285 HydrophobicContact CB-CG 3.87Å; V38-R285 HydrophobicContact CG2-CG 3.93Å; V38-P288 HydrophobicContact CG1-CB 4.04Å; V38-H289 HydrophobicContact CG1-CB 3.99Å; V38-H289 HydrophobicContact CG2-CB 4.15Å; V38-L292 HydrophobicContact CG1-CD1 4.49Å |
| 39 | Q | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -49.8 | -41.2 | 177.9 | -179.2 | 66.1 | 16.7 | 0 | 0 | 113.5 | T35 F41 D42 L43 Y78 D79 G80 L81 | T35-Q39 WeakPolarHBondContact O-CB 3.49Å; T35-Q39 PolarHBondContact O-N 2.81Å; Q39-F41 PolarHBondContact O-N 3.46Å; Q39-D42 PolarHBondContact O-N 3.36Å; Q39-D42 VanDerWaalsContact O-N 3.11Å; Q39-L43 PolarHBondContact O-N 2.86Å; Q39-Y78 HydrophobicContact CB-CD1 4.37Å; Q39-D79 PolarHBondContact NE2-O 3.48Å; Q39-G80 VanDerWaalsContact NE2-C 3.28Å; Q39-L81 HydrophobicContact CB-CD1 4.17Å; Q39-L81 HydrophobicContact CG-CB 4.18Å; Q39-L81 HydrophobicContact CG-CD1 4.24Å |
| 40 | P | 94.3 | Very high | 92.3 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 17% | 0.169 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.5 | -35.5 | 176.2 | -27.8 | 37.4 | 0 | 0 | 0 | 113.5 | F37 V38 V44 L77 Y78 | F37-P40 WeakPolarHBondContact O-CD 3.26Å; V38-P40 VanDerWaalsContact C-N 3.29Å; P40-V44 WeakPolarHBondContact O-CG2 3.44Å; P40-V44 PolarHBondContact O-N 3.38Å; P40-L77 WeakPolarHBondContact CA-O 3.45Å; P40-L77 HydrophobicContact CB-CB 4.2Å; P40-L77 HydrophobicContact CG-CB 4.22Å; P40-Y78 HydrophobicContact CG-CE2 4.28Å |
| 41 | F | 93.4 | Very high | 92 | Very high | 74 Ų | 74 | 25.3 Ų | 25.3 | 33% | 0.325 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -68.7 | -42.9 | 176.2 | -66.9 | -82.3 | 0 | 0 | 0 | 111.7 | V38 Q39 L43 V44 K45 P281 F284 R285 | V38-F41 HydrophobicContact CB-CD2 4.32Å; V38-F41 WeakPolarHBondContact O-CB 3.33Å; V38-F41 PolarHBondContact O-N 3.15Å; Q39-F41 PolarHBondContact O-N 3.46Å; F41-L43 VanDerWaalsContact C-N 3.31Å; F41-L43 PolarHBondContact O-N 3.45Å; F41-V44 PolarHBondContact O-N 3.23Å; F41-K45 WeakPolarHBondContact O-CB 3.45Å; F41-K45 PolarHBondContact O-N 3.29Å; F41-P281 HydrophobicContact CB-CB 4.46Å; F41-P281 HydrophobicContact CD1-CB 4.28Å; F41-F284 HydrophobicContact CD1-CB 4.24Å; F41-F284 HydrophobicContact CE1-CB 3.84Å; F41-R285 HydrophobicContact CB-CB 3.84Å; F41-R285 HydrophobicContact CB-CG 3.98Å; F41-R285 HydrophobicContact CG-CB 4.3Å |
| 42 | D | 91.3 | Very high | 91.2 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 8% | 0.08 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -43.1 | 176.4 | -81.3 | -41.9 | 0 | 0 | 0 | 111.1 | V38 Q39 K45 N46 R285 | V38-D42 PolarHBondContact O-N 2.99Å; Q39-D42 PolarHBondContact O-N 3.36Å; Q39-D42 VanDerWaalsContact O-N 3.11Å; D42-K45 PolarHBondContact O-N 3.03Å; D42-N46 WeakPolarHBondContact O-CB 3.29Å; D42-N46 VanDerWaalsContact O-CG 3.23Å; D42-N46 PolarHBondContact O-N 3.24Å; D42-N46 PolarHBondContact O-ND2 3.34Å; D42-R285 WeakPolarHBondContact OD1-CD 3.41Å; D42-R285 IonicContact OD1-CZ 3.99Å; D42-R285 IonicContact OD1-NE 2.64Å; D42-R285 PolarHBondContact OD1-NE 3.45Å; D42-R285 IonicContact OD1-NH1 3.75Å; D42-R285 IonicContact OD2-NH1 2.61Å |
| 43 | L | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.6 | -50.2 | 176.9 | -177.5 | 152.9 | 0 | 0 | 0 | 111.8 | Q39 F41 K45 N46 R47 I68 G76 D79 T145 | Q39-L43 PolarHBondContact O-N 2.86Å; F41-L43 VanDerWaalsContact C-N 3.31Å; F41-L43 PolarHBondContact O-N 3.45Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 2.91Å; L43-N46 PolarHBondContact O-N 2.86Å; L43-R47 HydrophobicContact CD2-CG 4.16Å; L43-R47 WeakPolarHBondContact O-CG 3.37Å; L43-R47 PolarHBondContact O-N 3.5Å; L43-I68 HydrophobicContact CD2-CD1 3.25Å; L43-I68 HydrophobicContact CD2-CG1 4.06Å; L43-G76 WeakPolarHBondContact CD1-O 3.39Å; L43-D79 HydrophobicContact CD1-CB 3.81Å; L43-T145 HydrophobicContact CB-CG2 4.07Å; L43-T145 HydrophobicContact CD1-CG2 4.41Å; L43-T145 HydrophobicContact CG-CG2 4.2Å |
| 44 | V | 93.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.024 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | -179.8 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | P40 F41 R47 M48 V64 I65 I68 P281 | P40-V44 WeakPolarHBondContact O-CG2 3.44Å; P40-V44 PolarHBondContact O-N 3.38Å; F41-V44 PolarHBondContact O-N 3.23Å; V44-R47 PolarHBondContact O-N 3.03Å; V44-M48 HydrophobicContact CG1-CG 4.33Å; V44-M48 HydrophobicContact CG1-SD 3.92Å; V44-M48 WeakPolarHBondContact O-CB 3.33Å; V44-M48 VanDerWaalsContact O-CG 3.23Å; V44-M48 WeakPolarHBondContact O-CG 3.49Å; V44-M48 PolarHBondContact O-N 3.41Å; V44-V64 HydrophobicContact CG1-CB 4.25Å; V44-V64 HydrophobicContact CG1-CG1 4.15Å; V44-V64 HydrophobicContact CG2-CG1 4.48Å; V44-I65 HydrophobicContact CG1-CG1 4.46Å; V44-I65 HydrophobicContact CG2-CD1 4.2Å; V44-I65 HydrophobicContact CG2-CG1 3.49Å; V44-I65 VanDerWaalsContact CG2-CG1 3.49Å; V44-I68 HydrophobicContact CG2-CD1 4.13Å; V44-P281 HydrophobicContact CB-CB 4.27Å; V44-P281 HydrophobicContact CG1-CB 4.17Å; V44-P281 HydrophobicContact CG1-CG 4.1Å |
| 45 | K | 93.2 | Very high | 85.9 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.8 | -49.3 | 176 | 172.4 | -109.2 | 171.5 | -163.5 | 0 | 111.6 | F41 D42 L43 M48 Q49 D238 P281 Y282 | F41-K45 WeakPolarHBondContact O-CB 3.45Å; F41-K45 PolarHBondContact O-N 3.29Å; D42-K45 PolarHBondContact O-N 3.03Å; L43-K45 VanDerWaalsContact C-N 3.32Å; L43-K45 PolarHBondContact O-N 2.91Å; K45-M48 PolarHBondContact O-N 2.95Å; K45-Q49 WeakPolarHBondContact O-CG 3.42Å; K45-Q49 PolarHBondContact O-N 2.96Å; K45-D238 WeakPolarHBondContact CE-OD2 3.08Å; K45-D238 IonicContact NZ-OD1 3.74Å; K45-D238 PolarHBondContact NZ-OD1 3.44Å; K45-D238 IonicContact NZ-OD2 3.17Å; K45-D238 PolarHBondContact NZ-OD2 2.88Å; K45-P281 HydrophobicContact CB-CB 4.08Å; K45-P281 HydrophobicContact CB-CG 3.8Å; K45-Y282 HydrophobicContact CD-CD2 4.26Å; K45-Y282 HydrophobicContact CG-CD2 4.34Å |
| 46 | N | 92.7 | Very high | 83.5 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | 179.4 | -69.1 | -17.7 | 0 | 0 | 0 | 111.6 | D42 L43 M48 Q49 L50 T145 | D42-N46 WeakPolarHBondContact O-CB 3.29Å; D42-N46 VanDerWaalsContact O-CG 3.23Å; D42-N46 PolarHBondContact O-N 3.24Å; D42-N46 PolarHBondContact O-ND2 3.34Å; L43-N46 PolarHBondContact O-N 2.86Å; N46-M48 PolarHBondContact O-N 3.38Å; N46-Q49 PolarHBondContact O-N 2.97Å; N46-L50 WeakPolarHBondContact O-CB 3.44Å; N46-L50 VanDerWaalsContact O-CG 3.26Å; N46-L50 WeakPolarHBondContact O-CG 3.29Å; N46-L50 PolarHBondContact O-N 3Å; N46-L50 VanDerWaalsContact O-N 3.08Å; N46-T145 WeakPolarHBondContact CB-OG1 3.25Å; N46-T145 PolarHBondContact ND2-OG1 2.88Å |
| 47 | R | 90.1 | Very high | 81.5 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -47.1 | 175.5 | -73.5 | -165 | -174.9 | -163.7 | 11 | 111.2 | L43 V44 Q49 L50 T51 V64 I68 D72 D79 T145 | L43-R47 HydrophobicContact CD2-CG 4.16Å; L43-R47 WeakPolarHBondContact O-CG 3.37Å; L43-R47 PolarHBondContact O-N 3.5Å; V44-R47 PolarHBondContact O-N 3.03Å; R47-Q49 VanDerWaalsContact C-N 3.33Å; R47-Q49 PolarHBondContact O-N 2.69Å; R47-L50 PolarHBondContact O-N 3.43Å; R47-T51 PolarHBondContact O-N 2.82Å; R47-T51 PolarHBondContact O-OG1 3.38Å; R47-V64 HydrophobicContact CB-CG1 3.95Å; R47-I68 VanDerWaalsContact CZ-CG1 3.48Å; R47-D72 IonicContact CZ-OD2 2.64Å; R47-D72 IonicContact NH1-OD2 3.59Å; R47-D72 IonicContact NH2-OD2 2.78Å; R47-D72 PolarHBondContact NH2-OD2 2.87Å; R47-D79 IonicContact NH2-OD2 3.37Å; R47-T145 WeakPolarHBondContact CG-O 3.44Å; R47-T145 PolarHBondContact NE-O 3.41Å |
| 48 | M | 90.4 | Very high | 79.7 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 177.3 | -72.6 | 177.3 | 77.2 | 0 | 0 | 113 | V44 K45 N46 L50 Q59 V64 P281 | V44-M48 HydrophobicContact CG1-CG 4.33Å; V44-M48 HydrophobicContact CG1-SD 3.92Å; V44-M48 WeakPolarHBondContact O-CB 3.33Å; V44-M48 VanDerWaalsContact O-CG 3.23Å; V44-M48 WeakPolarHBondContact O-CG 3.49Å; V44-M48 PolarHBondContact O-N 3.41Å; K45-M48 PolarHBondContact O-N 2.95Å; N46-M48 PolarHBondContact O-N 3.38Å; M48-L50 VanDerWaalsContact C-N 3.3Å; M48-L50 PolarHBondContact O-N 2.86Å; M48-Q59 WeakPolarHBondContact CE-O 3.26Å; M48-V64 HydrophobicContact CG-CG2 3.89Å; M48-P281 HydrophobicContact SD-CG 3.85Å |
| 49 | Q | 89.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -34.1 | 178.6 | -77.9 | -179.7 | -22.8 | 0 | 0 | 112.5 | K45 N46 R47 D238 M239 T242 Q243 K277 | K45-Q49 WeakPolarHBondContact O-CG 3.42Å; K45-Q49 PolarHBondContact O-N 2.96Å; N46-Q49 PolarHBondContact O-N 2.97Å; R47-Q49 VanDerWaalsContact C-N 3.33Å; R47-Q49 PolarHBondContact O-N 2.69Å; Q49-D238 PolarHBondContact NE2-OD2 2.88Å; Q49-D238 PolarHBondContact OE1-OD2 2.94Å; Q49-M239 HydrophobicContact CB-CE 3.98Å; Q49-M239 HydrophobicContact CB-SD 3.96Å; Q49-M239 HydrophobicContact CG-CE 3.88Å; Q49-M239 HydrophobicContact CG-SD 4.23Å; Q49-T242 HydrophobicContact CB-CG2 3.96Å; Q49-T242 VanDerWaalsContact OE1-CB 3.3Å; Q49-T242 PolarHBondContact OE1-OG1 2.64Å; Q49-Q243 PolarHBondContact O-NE2 3.48Å; Q49-K277 WeakPolarHBondContact CG-O 3.34Å |
| 50 | L | 89 | Confident | 77.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -91.2 | -14 | -176 | -65.9 | 173.4 | 0 | 0 | 0 | 114.2 | N46 R47 M48 E52 I142 A146 R149 T242 N246 | N46-L50 WeakPolarHBondContact O-CB 3.44Å; N46-L50 VanDerWaalsContact O-CG 3.26Å; N46-L50 WeakPolarHBondContact O-CG 3.29Å; N46-L50 PolarHBondContact O-N 3Å; N46-L50 VanDerWaalsContact O-N 3.08Å; R47-L50 PolarHBondContact O-N 3.43Å; M48-L50 VanDerWaalsContact C-N 3.3Å; M48-L50 PolarHBondContact O-N 2.86Å; L50-E52 PolarHBondContact O-N 3.26Å; L50-I142 HydrophobicContact CD1-CG2 4.22Å; L50-A146 HydrophobicContact CD1-CB 3.35Å; L50-R149 PolarHBondContact O-NH1 3.02Å; L50-T242 HydrophobicContact CD1-CG2 4.13Å; L50-T242 HydrophobicContact CD2-CG2 3.73Å; L50-T242 HydrophobicContact CG-CG2 3.72Å; L50-N246 HydrophobicContact CD1-CB 3.88Å; L50-N246 HydrophobicContact CD2-CB 3.61Å; L50-N246 HydrophobicContact CG-CB 4.41Å |
| 51 | T | 85.1 | Confident | 77.4 | Confident | 32 Ų | 32 | 59 Ų | 59 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | -71.2 | 119.1 | 173.6 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | R47 Q59 K277 | R47-T51 PolarHBondContact O-N 2.82Å; R47-T51 PolarHBondContact O-OG1 3.38Å; T51-Q59 HydrophobicContact CG2-CG 4.49Å; T51-Q59 PolarHBondContact OG1-OE1 3.46Å; T51-Q59 VanDerWaalsContact OG1-OE1 3.1Å; T51-K277 PolarHBondContact O-NZ 3.16Å | ||
| 52 | E | 73.8 | Confident | 77.1 | Confident | 68 Ų | 68 | 57.5 Ų | 57.5 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | trans | -75.9 | 144.5 | 168.1 | -68.1 | -174.1 | -134.3 | 0 | 0 | 110.8 | L50 E54 K269 | L50-E52 PolarHBondContact O-N 3.26Å; E52-E54 PolarHBondContact O-N 3.41Å; E52-K269 IonicContact OE2-NZ 3.53Å; E52-K269 PolarHBondContact OE2-NZ 2.9Å | ||
| 53 | K | 62 | Low | 76.9 | Confident | 100 Ų | 100 | 62.1 Ų | 62.1 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 21.2 | -174.8 | -108.2 | -169.7 | -163.9 | 174.2 | 0 | 115.5 | T55 E270 | K53-T55 PolarHBondContact O-N 3.36Å; K53-E270 HydrophobicContact CB-CB 4.37Å; K53-E270 HydrophobicContact CB-CG 3.91Å; K53-E270 HydrophobicContact CD-CB 4.07Å; K53-E270 HydrophobicContact CD-CG 4.49Å; K53-E270 WeakPolarHBondContact CG-OE2 3.46Å; K53-E270 PolarHBondContact NZ-O 3Å |
| 54 | E | 53.6 | Low | 76.6 | Confident | 182 Ų | 182 | 62.7 Ų | 62.7 | 85% | 0.85 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -32.9 | 175.4 | -76.4 | -168.2 | 158.8 | 0 | 0 | 111.5 | E52 T56 | E52-E54 PolarHBondContact O-N 3.41Å; E54-T56 PolarHBondContact O-N 2.88Å |
| 55 | T | 51 | Low | 76.4 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -77 | 116.7 | 168.5 | 36.3 | 0 | 0 | 0 | 0 | 111 | K53 L57 | K53-T55 PolarHBondContact O-N 3.36Å; T55-L57 PolarHBondContact O-N 3.33Å |
| 56 | T | 44.3 | Very low | 76.3 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 90% | 0.896 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -48.3 | -15 | 174.5 | 45.9 | 0 | 0 | 0 | 0 | 115.6 | E54 | E54-T56 PolarHBondContact O-N 2.88Š|
| 57 | L | 51.4 | Low | 76 | Confident | 120 Ų | 120 | 76.1 Ų | 76.1 | 63% | 0.628 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -90.1 | 110.5 | 178.4 | -66.6 | 169.6 | 0 | 0 | 0 | 110.8 | T55 Q59 | T55-L57 PolarHBondContact O-N 3.33Å; L57-Q59 PolarHBondContact O-N 2.89Å |
| 58 | R | 55.3 | Low | 75.9 | Confident | 224 Ų | 224 | 75.4 Ų | 75.4 | 85% | 0.845 | 39% | 0.387 | S | S | * | . | trans | -55 | 103.4 | 167.4 | -162.3 | 176.7 | 91.5 | 136.7 | 2.4 | 108.5 | S60 | R58-S60 PolarHBondContact O-N 3.26Š| ||
| 59 | Q | 67.6 | Low | 76 | Confident | 54 Ų | 54 | 77.6 Ų | 77.6 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | trans | -66.9 | 106.5 | -175.9 | -66.9 | -165.8 | -18.4 | 0 | 0 | 109.6 | M48 T51 L57 F63 V64 | M48-Q59 WeakPolarHBondContact CE-O 3.26Å; T51-Q59 HydrophobicContact CG2-CG 4.49Å; T51-Q59 PolarHBondContact OG1-OE1 3.46Å; T51-Q59 VanDerWaalsContact OG1-OE1 3.1Å; L57-Q59 PolarHBondContact O-N 2.89Å; Q59-F63 HydrophobicContact CB-CD1 4.33Å; Q59-F63 HydrophobicContact CG-CD1 4Å; Q59-F63 HydrophobicContact CG-CE1 4.23Å; Q59-V64 HydrophobicContact CB-CG2 4.08Å | ||
| 60 | S | 82.3 | Confident | 75.9 | Confident | 77 Ų | 77 | 86.6 Ų | 86.6 | 54% | 0.538 | 44% | 0.437 | S | S | . | . | trans | -69.6 | 151.7 | 167.9 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | R58 G62 F63 V64 | R58-S60 PolarHBondContact O-N 3.26Å; S60-G62 PolarHBondContact O-N 2.78Å; S60-G62 VanDerWaalsContact O-N 3.16Å; S60-F63 WeakPolarHBondContact O-CB 3.5Å; S60-F63 PolarHBondContact O-N 2.86Å; S60-V64 PolarHBondContact O-N 2.86Å; S60-V64 VanDerWaalsContact O-N 3.14Å | ||
| 61 | S | 84.1 | Confident | 75.8 | Confident | 17 Ų | 17 | 91.7 Ų | 91.7 | 12% | 0.119 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -50.9 | -40.1 | 174.6 | -43.7 | 0 | 0 | 0 | 0 | 111.9 | F63 V64 I65 P281 | S61-F63 VanDerWaalsContact C-N 3.35Å; S61-F63 PolarHBondContact O-N 2.97Å; S61-V64 PolarHBondContact O-N 3.47Å; S61-I65 VanDerWaalsContact O-CG1 3.28Å; S61-I65 WeakPolarHBondContact O-CG1 3.45Å; S61-I65 PolarHBondContact O-N 2.87Å; S61-P281 WeakPolarHBondContact OG-CD 3.4Å |
| 62 | G | 86.5 | Confident | 75.9 | Confident | 43 Ų | 43 | 92.1 Ų | 92.1 | 44% | 0.443 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.2 | -34.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S60 R66 | S60-G62 PolarHBondContact O-N 2.78Å; S60-G62 VanDerWaalsContact O-N 3.16Å; G62-R66 WeakPolarHBondContact O-CB 3.28Å; G62-R66 PolarHBondContact O-N 2.99Å |
| 63 | F | 86 | Confident | 76.6 | Confident | 112 Ų | 112 | 90.3 Ų | 90.3 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 175 | -179 | -94.3 | 0 | 0 | 0 | 111 | Q59 S60 S61 R66 G67 | Q59-F63 HydrophobicContact CB-CD1 4.33Å; Q59-F63 HydrophobicContact CG-CD1 4Å; Q59-F63 HydrophobicContact CG-CE1 4.23Å; S60-F63 WeakPolarHBondContact O-CB 3.5Å; S60-F63 PolarHBondContact O-N 2.86Å; S61-F63 VanDerWaalsContact C-N 3.35Å; S61-F63 PolarHBondContact O-N 2.97Å; F63-R66 PolarHBondContact O-N 3.38Å; F63-G67 PolarHBondContact O-N 3.02Å |
| 64 | V | 87.3 | Confident | 77.9 | Confident | 12 Ų | 12 | 91.4 Ų | 91.4 | 7% | 0.073 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 176.3 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | V44 R47 M48 Q59 S60 S61 R66 G67 I68 | V44-V64 HydrophobicContact CG1-CB 4.25Å; V44-V64 HydrophobicContact CG1-CG1 4.15Å; V44-V64 HydrophobicContact CG2-CG1 4.48Å; R47-V64 HydrophobicContact CB-CG1 3.95Å; M48-V64 HydrophobicContact CG-CG2 3.89Å; Q59-V64 HydrophobicContact CB-CG2 4.08Å; S60-V64 PolarHBondContact O-N 2.86Å; S60-V64 VanDerWaalsContact O-N 3.14Å; S61-V64 PolarHBondContact O-N 3.47Å; V64-R66 PolarHBondContact O-N 3.26Å; V64-G67 PolarHBondContact O-N 3.44Å; V64-I68 HydrophobicContact CG1-CD1 3.76Å; V64-I68 HydrophobicContact CG1-CG1 4.48Å; V64-I68 VanDerWaalsContact O-CD1 3.29Å; V64-I68 WeakPolarHBondContact O-CD1 3.24Å; V64-I68 VanDerWaalsContact O-CG1 3.24Å; V64-I68 WeakPolarHBondContact O-CG1 3.4Å; V64-I68 PolarHBondContact O-N 3.21Å |
| 65 | I | 90.1 | Very high | 79.7 | Confident | 65 Ų | 65 | 89.7 Ų | 89.7 | 33% | 0.333 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.5 | -50.9 | 177 | -68.3 | 165 | 0 | 0 | 0 | 111 | V44 S61 G67 I68 I69 | V44-I65 HydrophobicContact CG1-CG1 4.46Å; V44-I65 HydrophobicContact CG2-CD1 4.2Å; V44-I65 HydrophobicContact CG2-CG1 3.49Å; V44-I65 VanDerWaalsContact CG2-CG1 3.49Å; S61-I65 VanDerWaalsContact O-CG1 3.28Å; S61-I65 WeakPolarHBondContact O-CG1 3.45Å; S61-I65 PolarHBondContact O-N 2.87Å; I65-G67 VanDerWaalsContact C-N 3.27Å; I65-G67 PolarHBondContact O-N 3.09Å; I65-I68 WeakPolarHBondContact O-CB 3.48Å; I65-I68 PolarHBondContact O-N 2.86Å; I65-I68 VanDerWaalsContact O-N 3.17Å; I65-I69 HydrophobicContact CG2-CD1 3.77Å; I65-I69 HydrophobicContact CG2-CG1 4.44Å; I65-I69 WeakPolarHBondContact O-CG1 3.15Å; I65-I69 PolarHBondContact O-N 3.07Å |
| 66 | R | 89.2 | Confident | 81.4 | Confident | 197 Ų | 197 | 86.2 Ų | 86.2 | 74% | 0.743 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.6 | -39.3 | 178.6 | -171.9 | 178.4 | -178.3 | -176.8 | 1.1 | 111.7 | G62 F63 V64 K70 | G62-R66 WeakPolarHBondContact O-CB 3.28Å; G62-R66 PolarHBondContact O-N 2.99Å; F63-R66 PolarHBondContact O-N 3.38Å; V64-R66 PolarHBondContact O-N 3.26Å; R66-K70 WeakPolarHBondContact O-CB 2.89Å; R66-K70 PolarHBondContact O-N 3.21Å |
| 67 | G | 87.5 | Confident | 83.7 | Confident | 37 Ų | 37 | 80.3 Ų | 80.3 | 38% | 0.381 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F63 V64 I65 K71 | F63-G67 PolarHBondContact O-N 3.02Å; V64-G67 PolarHBondContact O-N 3.44Å; I65-G67 VanDerWaalsContact C-N 3.27Å; I65-G67 PolarHBondContact O-N 3.09Å; G67-K71 WeakPolarHBondContact O-CB 3.35Å; G67-K71 PolarHBondContact O-N 3.42Å; G67-K71 VanDerWaalsContact O-N 3.14Å |
| 68 | I | 87.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.1 | -53.9 | 174.9 | -64.5 | 149.5 | 0 | 0 | 0 | 110.1 | L43 V44 R47 V64 I65 K70 K71 D72 G73 L77 | L43-I68 HydrophobicContact CD2-CD1 3.25Å; L43-I68 HydrophobicContact CD2-CG1 4.06Å; V44-I68 HydrophobicContact CG2-CD1 4.13Å; R47-I68 VanDerWaalsContact CZ-CG1 3.48Å; V64-I68 HydrophobicContact CG1-CD1 3.76Å; V64-I68 HydrophobicContact CG1-CG1 4.48Å; V64-I68 VanDerWaalsContact O-CD1 3.29Å; V64-I68 WeakPolarHBondContact O-CD1 3.24Å; V64-I68 VanDerWaalsContact O-CG1 3.24Å; V64-I68 WeakPolarHBondContact O-CG1 3.4Å; V64-I68 PolarHBondContact O-N 3.21Å; I65-I68 WeakPolarHBondContact O-CB 3.48Å; I65-I68 PolarHBondContact O-N 2.86Å; I65-I68 VanDerWaalsContact O-N 3.17Å; I68-K70 VanDerWaalsContact C-N 3.25Å; I68-K70 PolarHBondContact O-N 3.48Å; I68-K71 PolarHBondContact O-N 3.46Å; I68-D72 PolarHBondContact O-N 2.87Å; I68-G73 PolarHBondContact O-N 3.38Å; I68-L77 HydrophobicContact CB-CD2 4.14Å; I68-L77 HydrophobicContact CD1-CD2 3.92Å; I68-L77 HydrophobicContact CG2-CD2 3.81Å; I68-L77 HydrophobicContact CG2-CG 4.09Å |
| 69 | I | 91.5 | Very high | 87.4 | Confident | 67 Ų | 67 | 70.5 Ų | 70.5 | 34% | 0.344 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | -175.9 | -64.3 | 172.4 | 0 | 0 | 0 | 111 | I65 G73 L74 L77 | I65-I69 HydrophobicContact CG2-CD1 3.77Å; I65-I69 HydrophobicContact CG2-CG1 4.44Å; I65-I69 WeakPolarHBondContact O-CG1 3.15Å; I65-I69 PolarHBondContact O-N 3.07Å; I69-G73 WeakPolarHBondContact O-CA 3.47Å; I69-G73 PolarHBondContact O-N 3.3Å; I69-G73 VanDerWaalsContact O-N 3.16Å; I69-L74 HydrophobicContact CD1-CD2 4.01Å; I69-L74 HydrophobicContact CG1-CD2 4.11Å; I69-L74 HydrophobicContact CG2-CD2 4.22Å; I69-L77 HydrophobicContact CD1-CD1 4.32Å; I69-L77 HydrophobicContact CG1-CD1 4.18Å |
| 70 | K | 89.1 | Confident | 88.5 | Confident | 189 Ų | 189 | 68.1 Ų | 68.1 | 82% | 0.822 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.5 | -33.6 | 178.1 | -171.2 | 177.9 | 179.1 | -175.9 | 0 | 113 | R66 I68 | R66-K70 WeakPolarHBondContact O-CB 2.89Å; R66-K70 PolarHBondContact O-N 3.21Å; I68-K70 VanDerWaalsContact C-N 3.25Å; I68-K70 PolarHBondContact O-N 3.48Å |
| 71 | K | 86.9 | Confident | 89.1 | Confident | 107 Ų | 107 | 66 Ų | 66 | 47% | 0.465 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -94.8 | -48.1 | -172.9 | -170.4 | -176.8 | -176.3 | -174.2 | 0 | 113.3 | G67 I68 G148 L150 | G67-K71 WeakPolarHBondContact O-CB 3.35Å; G67-K71 PolarHBondContact O-N 3.42Å; G67-K71 VanDerWaalsContact O-N 3.14Å; I68-K71 PolarHBondContact O-N 3.46Å; K71-G148 PolarHBondContact NZ-O 3.03Å; K71-L150 PolarHBondContact NZ-O 2.87Å |
| 72 | D | 85.9 | Confident | 89.6 | Confident | 41 Ų | 41 | 67 Ų | 67 | 22% | 0.219 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -113.6 | 0 | -170.6 | -51.1 | -45.9 | 0 | 0 | 0 | 111.4 | R47 I68 G76 R155 | R47-D72 IonicContact CZ-OD2 2.64Å; R47-D72 IonicContact NH1-OD2 3.59Å; R47-D72 IonicContact NH2-OD2 2.78Å; R47-D72 PolarHBondContact NH2-OD2 2.87Å; I68-D72 PolarHBondContact O-N 2.87Å; D72-G76 PolarHBondContact O-N 3.36Å; D72-R155 IonicContact OD1-CZ 3.34Å; D72-R155 IonicContact OD1-NH1 3.9Å; D72-R155 IonicContact OD1-NH2 3.05Å; D72-R155 PolarHBondContact OD1-NH2 3.48Å; D72-R155 IonicContact OD2-NH2 3.29Å |
| 73 | G | 89.5 | Confident | 90 | Very high | 30 Ų | 30 | 65 Ų | 65 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -172.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I68 I69 L75 G76 | I68-G73 PolarHBondContact O-N 3.38Å; I69-G73 WeakPolarHBondContact O-CA 3.47Å; I69-G73 PolarHBondContact O-N 3.3Å; I69-G73 VanDerWaalsContact O-N 3.16Å; G73-L75 VanDerWaalsContact C-N 3.31Å; G73-L75 PolarHBondContact O-N 2.98Å; G73-G76 PolarHBondContact O-N 3.38Å |
| 74 | L | 89.9 | Confident | 90.4 | Very high | 122 Ų | 122 | 59.7 Ų | 59.7 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -33 | 177.9 | -71.2 | 173.8 | 0 | 0 | 0 | 112.6 | I69 G76 L77 | I69-L74 HydrophobicContact CD1-CD2 4.01Å; I69-L74 HydrophobicContact CG1-CD2 4.11Å; I69-L74 HydrophobicContact CG2-CD2 4.22Å; L74-G76 VanDerWaalsContact C-N 3.28Å; L74-G76 PolarHBondContact O-N 2.88Å; L74-L77 WeakPolarHBondContact O-CB 3.33Å; L74-L77 PolarHBondContact O-N 3.28Å |
| 75 | L | 89.7 | Confident | 90.8 | Very high | 147 Ų | 147 | 61.2 Ų | 61.2 | 77% | 0.77 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -68.5 | -27.5 | 179 | -65.8 | 178 | 0 | 0 | 0 | 112.5 | G73 L77 Y78 | G73-L75 VanDerWaalsContact C-N 3.31Å; G73-L75 PolarHBondContact O-N 2.98Å; L75-L77 PolarHBondContact O-N 3.4Å; L75-L77 VanDerWaalsContact O-N 3.1Å; L75-Y78 WeakPolarHBondContact O-CB 3.14Å; L75-Y78 PolarHBondContact O-N 2.88Å |
| 76 | G | 88.4 | Confident | 91 | Very high | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -61.6 | -16.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L43 D72 G73 L74 Y78 D79 | L43-G76 WeakPolarHBondContact CD1-O 3.39Å; D72-G76 PolarHBondContact O-N 3.36Å; G73-G76 PolarHBondContact O-N 3.38Å; L74-G76 VanDerWaalsContact C-N 3.28Å; L74-G76 PolarHBondContact O-N 2.88Å; G76-Y78 PolarHBondContact O-N 2.83Å; G76-D79 PolarHBondContact O-N 3.16Å |
| 77 | L | 91.3 | Very high | 91.2 | Very high | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -70.1 | -15.6 | 171.4 | -67.3 | 171.3 | 0 | 0 | 0 | 113.2 | P40 I68 I69 L74 L75 | P40-L77 WeakPolarHBondContact CA-O 3.45Å; P40-L77 HydrophobicContact CB-CB 4.2Å; P40-L77 HydrophobicContact CG-CB 4.22Å; I68-L77 HydrophobicContact CB-CD2 4.14Å; I68-L77 HydrophobicContact CD1-CD2 3.92Å; I68-L77 HydrophobicContact CG2-CD2 3.81Å; I68-L77 HydrophobicContact CG2-CG 4.09Å; I69-L77 HydrophobicContact CD1-CD1 4.32Å; I69-L77 HydrophobicContact CG1-CD1 4.18Å; L74-L77 WeakPolarHBondContact O-CB 3.33Å; L74-L77 PolarHBondContact O-N 3.28Å; L75-L77 PolarHBondContact O-N 3.4Å; L75-L77 VanDerWaalsContact O-N 3.1Å |
| 78 | Y | 93.1 | Very high | 91.3 | Very high | 79 Ų | 79 | 51.1 Ų | 51.1 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -104.6 | 9.7 | 179.7 | -70.4 | -95.7 | 0 | 0 | 0 | 112.7 | F36 Q39 P40 L75 G76 G80 L81 | F36-Y78 HydrophobicContact CD1-CE1 4.47Å; F36-Y78 HydrophobicContact CE1-CE1 4.23Å; F36-Y78 HydrophobicContact CE2-CE1 4.31Å; F36-Y78 HydrophobicContact CZ-CE1 4.14Å; F36-Y78 VanDerWaalsContact O-CE1 3.25Å; F36-Y78 WeakPolarHBondContact O-CE1 3.34Å; Q39-Y78 HydrophobicContact CB-CD1 4.37Å; P40-Y78 HydrophobicContact CG-CE2 4.28Å; L75-Y78 WeakPolarHBondContact O-CB 3.14Å; L75-Y78 PolarHBondContact O-N 2.88Å; G76-Y78 PolarHBondContact O-N 2.83Å; Y78-G80 PolarHBondContact O-N 3.04Å; Y78-L81 HydrophobicContact CD1-CD2 4.18Å; Y78-L81 WeakPolarHBondContact O-CB 3.48Å; Y78-L81 PolarHBondContact O-N 3.26Å |
| 79 | D | 90.8 | Very high | 91.5 | Very high | 59 Ų | 59 | 52.6 Ų | 52.6 | 32% | 0.316 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 132 | 172.9 | -74.1 | -20.4 | 0 | 0 | 0 | 110.3 | Q39 L43 R47 G76 L81 T145 | Q39-D79 PolarHBondContact NE2-O 3.48Å; L43-D79 HydrophobicContact CD1-CB 3.81Å; R47-D79 IonicContact NH2-OD2 3.37Å; G76-D79 PolarHBondContact O-N 3.16Å; D79-L81 VanDerWaalsContact C-N 3.33Å; D79-T145 VanDerWaalsContact O-CG2 3.27Å; D79-T145 WeakPolarHBondContact O-CG2 3.47Å |
| 80 | G | 92.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 51 Ų | 51 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 4.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q39 Y78 S82 A83 G84 L141 | Q39-G80 VanDerWaalsContact NE2-C 3.28Å; Y78-G80 PolarHBondContact O-N 3.04Å; G80-S82 VanDerWaalsContact C-N 3.31Å; G80-S82 PolarHBondContact O-N 2.95Å; G80-A83 CarbonylContact O-C 3.59Å; G80-A83 WeakPolarHBondContact O-CA 3.31Å; G80-A83 WeakPolarHBondContact O-CB 3.37Å; G80-A83 PolarHBondContact O-N 2.87Å; G80-G84 PolarHBondContact O-N 2.85Å; G80-L141 VanDerWaalsContact O-CD1 3.31Å; G80-L141 WeakPolarHBondContact O-CD1 3.2Å |
| 81 | L | 93.9 | Very high | 91.5 | Very high | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -52.7 | -47.3 | 177.1 | 174.5 | 64.9 | 0 | 0 | 0 | 112 | F36 Q39 Y78 D79 A83 G84 L85 | F36-L81 HydrophobicContact CB-CD1 4.42Å; F36-L81 HydrophobicContact CD2-CD1 4.11Å; F36-L81 HydrophobicContact CD2-CD2 3.65Å; F36-L81 HydrophobicContact CE2-CD2 3.83Å; Q39-L81 HydrophobicContact CB-CD1 4.17Å; Q39-L81 HydrophobicContact CG-CB 4.18Å; Q39-L81 HydrophobicContact CG-CD1 4.24Å; Y78-L81 HydrophobicContact CD1-CD2 4.18Å; Y78-L81 WeakPolarHBondContact O-CB 3.48Å; Y78-L81 PolarHBondContact O-N 3.26Å; D79-L81 VanDerWaalsContact C-N 3.33Å; L81-A83 PolarHBondContact O-N 3.43Å; L81-G84 WeakPolarHBondContact O-CA 3.5Å; L81-G84 PolarHBondContact O-N 3.44Å; L81-L85 HydrophobicContact CD1-CD1 4.19Å; L81-L85 HydrophobicContact CD1-CD2 4.42Å; L81-L85 HydrophobicContact CD1-CG 4.02Å; L81-L85 HydrophobicContact CG-CD1 4.05Å; L81-L85 HydrophobicContact CG-CG 4.29Å; L81-L85 WeakPolarHBondContact O-CG 2.99Å; L81-L85 PolarHBondContact O-N 2.91Å |
| 82 | S | 95.7 | Very high | 91.5 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 28% | 0.28 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.7 | -36.8 | 178.2 | 56 | 0 | 0 | 0 | 0 | 112.5 | G80 L86 V161 | G80-S82 VanDerWaalsContact C-N 3.31Å; G80-S82 PolarHBondContact O-N 2.95Å; S82-L86 WeakPolarHBondContact O-CB 3.24Å; S82-L86 PolarHBondContact O-N 2.98Å; S82-V161 PolarHBondContact OG-N 2.98Å; S82-V161 VanDerWaalsContact OG-N 3.16Å |
| 83 | A | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.5 | -36.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G80 L81 L86 R87 L141 M144 V161 | G80-A83 CarbonylContact O-C 3.59Å; G80-A83 WeakPolarHBondContact O-CA 3.31Å; G80-A83 WeakPolarHBondContact O-CB 3.37Å; G80-A83 PolarHBondContact O-N 2.87Å; L81-A83 PolarHBondContact O-N 3.43Å; A83-L86 PolarHBondContact O-N 2.6Å; A83-R87 VanDerWaalsContact O-CB 3.26Å; A83-R87 WeakPolarHBondContact O-CB 3.41Å; A83-R87 PolarHBondContact O-N 3.49Å; A83-L141 VanDerWaalsContact CB-CA 3.5Å; A83-L141 HydrophobicContact CB-CB 3.72Å; A83-M144 HydrophobicContact CB-SD 3.81Å; A83-V161 HydrophobicContact CB-CB 3.89Å; A83-V161 HydrophobicContact CB-CG2 3.67Å |
| 84 | G | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G80 L81 R87 Q88 | G80-G84 PolarHBondContact O-N 2.85Å; L81-G84 WeakPolarHBondContact O-CA 3.5Å; L81-G84 PolarHBondContact O-N 3.44Å; G84-R87 PolarHBondContact O-N 2.93Å; G84-Q88 WeakPolarHBondContact O-CG 3.31Å; G84-Q88 PolarHBondContact O-N 2.89Å |
| 85 | L | 94.7 | Very high | 91.6 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 23% | 0.225 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -46.8 | 175.5 | -67.5 | 178 | 0 | 0 | 0 | 111.6 | M32 L81 R87 Q88 A89 | M32-L85 HydrophobicContact CB-CD2 3.83Å; M32-L85 HydrophobicContact CE-CB 4.03Å; M32-L85 HydrophobicContact CE-CD2 4.25Å; M32-L85 HydrophobicContact CG-CD2 4.25Å; M32-L85 VanDerWaalsContact O-CD2 3.3Å; M32-L85 WeakPolarHBondContact O-CD2 3.42Å; L81-L85 HydrophobicContact CD1-CD1 4.19Å; L81-L85 HydrophobicContact CD1-CD2 4.42Å; L81-L85 HydrophobicContact CD1-CG 4.02Å; L81-L85 HydrophobicContact CG-CD1 4.05Å; L81-L85 HydrophobicContact CG-CG 4.29Å; L81-L85 WeakPolarHBondContact O-CG 2.99Å; L81-L85 PolarHBondContact O-N 2.91Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 2.96Å; L85-Q88 PolarHBondContact O-N 3.34Å; L85-A89 WeakPolarHBondContact O-CB 3.45Å; L85-A89 PolarHBondContact O-N 2.95Å |
| 86 | L | 94.8 | Very high | 91.5 | Very high | 40 Ų | 40 | 34.8 Ų | 34.8 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 175.9 | -175.8 | 65.5 | 0 | 0 | 0 | 111.5 | S82 A83 Q88 A89 T90 A137 V161 L165 | S82-L86 WeakPolarHBondContact O-CB 3.24Å; S82-L86 PolarHBondContact O-N 2.98Å; A83-L86 PolarHBondContact O-N 2.6Å; L86-Q88 VanDerWaalsContact C-N 3.35Å; L86-Q88 PolarHBondContact O-N 2.92Å; L86-A89 PolarHBondContact O-N 3.5Å; L86-T90 HydrophobicContact CD1-CG2 3.89Å; L86-T90 HydrophobicContact CG-CG2 4.09Å; L86-T90 WeakPolarHBondContact O-CB 3.18Å; L86-T90 WeakPolarHBondContact O-CG2 3.3Å; L86-T90 PolarHBondContact O-N 2.73Å; L86-T90 PolarHBondContact O-OG1 2.98Å; L86-A137 HydrophobicContact CB-CB 4.18Å; L86-A137 HydrophobicContact CD2-CB 3.96Å; L86-A137 HydrophobicContact CG-CB 3.89Å; L86-V161 HydrophobicContact CB-CG1 4.24Å; L86-V161 HydrophobicContact CB-CG2 4.23Å; L86-V161 HydrophobicContact CD2-CB 4.35Å; L86-V161 HydrophobicContact CD2-CG1 3.95Å; L86-V161 HydrophobicContact CD2-CG2 3.46Å; L86-V161 VanDerWaalsContact CD2-CG2 3.46Å; L86-V161 HydrophobicContact CG-CG2 4.47Å; L86-L165 HydrophobicContact CD2-CD1 3.87Å |
| 87 | R | 92.8 | Very high | 91.5 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 176 | -173.5 | -165.7 | 64.8 | 68.5 | 4.4 | 110.7 | A83 G84 L85 T90 Y91 A137 E138 | A83-R87 VanDerWaalsContact O-CB 3.26Å; A83-R87 WeakPolarHBondContact O-CB 3.41Å; A83-R87 PolarHBondContact O-N 3.49Å; G84-R87 PolarHBondContact O-N 2.93Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 2.96Å; R87-T90 WeakPolarHBondContact CA-OG1 3.36Å; R87-T90 PolarHBondContact O-OG1 3.25Å; R87-Y91 WeakPolarHBondContact O-CB 3.28Å; R87-Y91 PolarHBondContact O-N 2.67Å; R87-A137 HydrophobicContact CB-CB 3.96Å; R87-E138 HydrophobicContact CG-CB 4.14Å |
| 88 | Q | 90.3 | Very high | 91.5 | Very high | 18 Ų | 18 | 37.1 Ų | 37.1 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 176.8 | -72.3 | -68.7 | 15.6 | 0 | 0 | 112 | M32 T35 G84 L85 L86 T92 H289 | M32-Q88 HydrophobicContact CG-CB 4.03Å; T35-Q88 HydrophobicContact CG2-CG 4.2Å; T35-Q88 VanDerWaalsContact OG1-CG 3.22Å; T35-Q88 WeakPolarHBondContact OG1-CG 3.49Å; T35-Q88 PolarHBondContact OG1-NE2 2.87Å; G84-Q88 WeakPolarHBondContact O-CG 3.31Å; G84-Q88 PolarHBondContact O-N 2.89Å; L85-Q88 PolarHBondContact O-N 3.34Å; L86-Q88 VanDerWaalsContact C-N 3.35Å; L86-Q88 PolarHBondContact O-N 2.92Å; Q88-T92 WeakPolarHBondContact O-CB 3.5Å; Q88-T92 PolarHBondContact O-N 2.84Å; Q88-T92 PolarHBondContact O-OG1 2.95Å; Q88-H289 PolarHBondContact NE2-NE2 3.01Å |
| 89 | A | 91.5 | Very high | 91.4 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -54 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | M32 L85 L86 T93 | M32-A89 HydrophobicContact SD-CB 4.19Å; L85-A89 WeakPolarHBondContact O-CB 3.45Å; L85-A89 PolarHBondContact O-N 2.95Å; L86-A89 PolarHBondContact O-N 3.5Å; A89-T93 WeakPolarHBondContact O-CB 3.19Å; A89-T93 PolarHBondContact O-N 3.31Å; A89-T93 PolarHBondContact O-OG1 3.03Å |
| 90 | T | 92.1 | Very high | 91.3 | Very high | 34 Ų | 34 | 37 Ų | 37 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -48.9 | -178.2 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | L86 R87 T94 | L86-T90 HydrophobicContact CD1-CG2 3.89Å; L86-T90 HydrophobicContact CG-CG2 4.09Å; L86-T90 WeakPolarHBondContact O-CB 3.18Å; L86-T90 WeakPolarHBondContact O-CG2 3.3Å; L86-T90 PolarHBondContact O-N 2.73Å; L86-T90 PolarHBondContact O-OG1 2.98Å; R87-T90 WeakPolarHBondContact CA-OG1 3.36Å; R87-T90 PolarHBondContact O-OG1 3.25Å; T90-T94 VanDerWaalsContact O-CB 3.23Å; T90-T94 WeakPolarHBondContact O-CB 3.09Å; T90-T94 PolarHBondContact O-N 3.15Å; T90-T94 PolarHBondContact O-OG1 2.88Å |
| 91 | Y | 88.8 | Confident | 91.3 | Very high | 41 Ų | 41 | 43.5 Ų | 43.5 | 16% | 0.161 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -49 | -179.8 | 176.3 | -99.1 | 0 | 0 | 0 | 111.6 | R87 R95 G130 | R87-Y91 WeakPolarHBondContact O-CB 3.28Å; R87-Y91 PolarHBondContact O-N 2.67Å; Y91-R95 WeakPolarHBondContact O-CB 3.38Å; Y91-R95 PolarHBondContact O-N 3.21Å; Y91-G130 WeakPolarHBondContact CD2-O 3.05Å |
| 92 | T | 87.1 | Confident | 91.2 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.3 | -44.1 | -176.8 | -57 | 0 | 0 | 0 | 0 | 111.2 | Q88 L96 | Q88-T92 WeakPolarHBondContact O-CB 3.5Å; Q88-T92 PolarHBondContact O-N 2.84Å; Q88-T92 PolarHBondContact O-OG1 2.95Å; T92-L96 HydrophobicContact CG2-CD1 3.77Å; T92-L96 HydrophobicContact CG2-CG 4.41Å; T92-L96 WeakPolarHBondContact O-CB 3.16Å; T92-L96 WeakPolarHBondContact O-CG 3.3Å; T92-L96 PolarHBondContact O-N 3.41Å |
| 93 | T | 89.1 | Confident | 90.9 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 43% | 0.429 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.4 | -51.5 | 176.8 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | F24 A89 L96 G97 | F24-T93 HydrophobicContact CZ-CG2 3.83Å; F24-T93 WeakPolarHBondContact CZ-OG1 3.44Å; A89-T93 WeakPolarHBondContact O-CB 3.19Å; A89-T93 PolarHBondContact O-N 3.31Å; A89-T93 PolarHBondContact O-OG1 3.03Å; T93-L96 PolarHBondContact O-N 3.08Å; T93-G97 PolarHBondContact O-N 3.28Å |
| 94 | T | 90.4 | Very high | 90.7 | Very high | 27 Ų | 27 | 48.2 Ų | 48.2 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -46.1 | -178 | -53.7 | 0 | 0 | 0 | 0 | 111.1 | T90 L96 G97 V98 V129 V133 | T90-T94 VanDerWaalsContact O-CB 3.23Å; T90-T94 WeakPolarHBondContact O-CB 3.09Å; T90-T94 PolarHBondContact O-N 3.15Å; T90-T94 PolarHBondContact O-OG1 2.88Å; T94-L96 PolarHBondContact O-N 3.37Å; T94-G97 PolarHBondContact O-N 2.86Å; T94-V98 HydrophobicContact CG2-CG2 4.07Å; T94-V98 VanDerWaalsContact O-CB 3.3Å; T94-V98 WeakPolarHBondContact O-CB 3.35Å; T94-V98 WeakPolarHBondContact O-CG2 3.29Å; T94-V98 PolarHBondContact O-N 3.49Å; T94-V129 HydrophobicContact CG2-CG1 3.85Å; T94-V133 HydrophobicContact CG2-CB 3.96Å; T94-V133 HydrophobicContact CG2-CG1 4.47Å; T94-V133 HydrophobicContact CG2-CG2 3.73Å; T94-V133 WeakPolarHBondContact OG1-CG1 3.28Å |
| 95 | R | 87.9 | Confident | 90.6 | Very high | 95 Ų | 95 | 54.5 Ų | 54.5 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 179.6 | -177.5 | -177 | 67.5 | 156.3 | 0 | 111.3 | Y91 Y99 A126 | Y91-R95 WeakPolarHBondContact O-CB 3.38Å; Y91-R95 PolarHBondContact O-N 3.21Å; R95-Y99 WeakPolarHBondContact O-CB 3.47Å; R95-Y99 PolarHBondContact O-N 3.44Å; R95-A126 HydrophobicContact CG-CB 4.19Å; R95-A126 WeakPolarHBondContact O-CB 3.08Å |
| 96 | L | 87.2 | Confident | 90.3 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72 | -40.4 | -178.8 | -67.6 | 176.1 | 0 | 0 | 0 | 111.9 | F24 T92 T93 T94 Y99 N100 | F24-L96 HydrophobicContact CD2-CB 3.85Å; F24-L96 HydrophobicContact CD2-CD1 3.46Å; F24-L96 VanDerWaalsContact CD2-CD1 3.46Å; F24-L96 HydrophobicContact CD2-CG 4.28Å; F24-L96 HydrophobicContact CE2-CB 3.87Å; F24-L96 HydrophobicContact CE2-CD1 3.75Å; F24-L96 HydrophobicContact CE2-CG 4.36Å; T92-L96 HydrophobicContact CG2-CD1 3.77Å; T92-L96 HydrophobicContact CG2-CG 4.41Å; T92-L96 WeakPolarHBondContact O-CB 3.16Å; T92-L96 WeakPolarHBondContact O-CG 3.3Å; T92-L96 PolarHBondContact O-N 3.41Å; T93-L96 PolarHBondContact O-N 3.08Å; T94-L96 PolarHBondContact O-N 3.37Å; L96-Y99 PolarHBondContact O-N 2.99Å; L96-N100 WeakPolarHBondContact O-CB 3.31Å; L96-N100 VanDerWaalsContact O-CG 3.25Å; L96-N100 PolarHBondContact O-N 3.39Å; L96-N100 PolarHBondContact O-ND2 3.33Å |
| 97 | G | 89.4 | Confident | 90.1 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 42% | 0.423 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T93 T94 F101 | T93-G97 PolarHBondContact O-N 3.28Å; T94-G97 PolarHBondContact O-N 2.86Å; G97-F101 VanDerWaalsContact O-CB 3.24Å; G97-F101 WeakPolarHBondContact O-CB 3.18Å; G97-F101 PolarHBondContact O-N 2.91Å |
| 98 | V | 91.6 | Very high | 90 | Very high | 32 Ų | 32 | 63.1 Ų | 63.1 | 19% | 0.194 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 177.5 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | T94 L102 A126 V129 | T94-V98 HydrophobicContact CG2-CG2 4.07Å; T94-V98 VanDerWaalsContact O-CB 3.3Å; T94-V98 WeakPolarHBondContact O-CB 3.35Å; T94-V98 WeakPolarHBondContact O-CG2 3.29Å; T94-V98 PolarHBondContact O-N 3.49Å; V98-L102 HydrophobicContact CG1-CD1 3.71Å; V98-L102 HydrophobicContact CG1-CG 4.26Å; V98-L102 WeakPolarHBondContact O-CB 3.37Å; V98-L102 VanDerWaalsContact O-CG 3.24Å; V98-L102 WeakPolarHBondContact O-CG 3.48Å; V98-L102 PolarHBondContact O-N 3.03Å; V98-A126 HydrophobicContact CB-CB 4.09Å; V98-A126 HydrophobicContact CG1-CB 3.96Å; V98-V129 HydrophobicContact CG2-CB 4.25Å; V98-V129 HydrophobicContact CG2-CG1 3.86Å |
| 99 | Y | 89.5 | Confident | 89.9 | Confident | 61 Ų | 61 | 69 Ų | 69 | 24% | 0.239 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 177.8 | -178.5 | -89.3 | 0 | 0 | 0 | 111.6 | R95 L96 L102 F103 L122 | R95-Y99 WeakPolarHBondContact O-CB 3.47Å; R95-Y99 PolarHBondContact O-N 3.44Å; L96-Y99 PolarHBondContact O-N 2.99Å; Y99-L102 PolarHBondContact O-N 3.01Å; Y99-F103 HydrophobicContact CE1-CB 4.34Å; Y99-F103 HydrophobicContact CE1-CD2 4.14Å; Y99-F103 HydrophobicContact CE1-CG 4.48Å; Y99-F103 WeakPolarHBondContact O-CB 3.3Å; Y99-F103 PolarHBondContact O-N 3.15Å; Y99-L122 HydrophobicContact CD2-CB 3.98Å; Y99-L122 HydrophobicContact CE2-CB 3.96Å |
| 100 | N | 89.9 | Confident | 89.6 | Confident | 74 Ų | 74 | 72.1 Ų | 72.1 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | -179.4 | -70.4 | -17.1 | 0 | 0 | 0 | 111.2 | L96 L102 F103 D104 | L96-N100 WeakPolarHBondContact O-CB 3.31Å; L96-N100 VanDerWaalsContact O-CG 3.25Å; L96-N100 PolarHBondContact O-N 3.39Å; L96-N100 PolarHBondContact O-ND2 3.33Å; N100-L102 PolarHBondContact O-N 2.94Å; N100-F103 PolarHBondContact O-N 3.1Å; N100-D104 WeakPolarHBondContact O-CB 3.41Å; N100-D104 VanDerWaalsContact O-CG 3.26Å; N100-D104 PolarHBondContact O-N 3.08Å |
| 101 | F | 91.7 | Very high | 89.2 | Confident | 142 Ų | 142 | 78 Ų | 78 | 62% | 0.623 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.1 | -48.8 | 176.3 | 175.4 | -98.2 | 0 | 0 | 0 | 112 | G97 Y105 | G97-F101 VanDerWaalsContact O-CB 3.24Å; G97-F101 WeakPolarHBondContact O-CB 3.18Å; G97-F101 PolarHBondContact O-N 2.91Å; F101-Y105 VanDerWaalsContact O-CB 3.29Å; F101-Y105 WeakPolarHBondContact O-CB 3.24Å; F101-Y105 PolarHBondContact O-N 3.41Å |
| 102 | L | 92 | Very high | 89 | Confident | 40 Ų | 40 | 79 Ų | 79 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 179.6 | -65.5 | 173.1 | 0 | 0 | 0 | 112.4 | V98 Y99 N100 L106 L122 V125 | V98-L102 HydrophobicContact CG1-CD1 3.71Å; V98-L102 HydrophobicContact CG1-CG 4.26Å; V98-L102 WeakPolarHBondContact O-CB 3.37Å; V98-L102 VanDerWaalsContact O-CG 3.24Å; V98-L102 WeakPolarHBondContact O-CG 3.48Å; V98-L102 PolarHBondContact O-N 3.03Å; Y99-L102 PolarHBondContact O-N 3.01Å; N100-L102 PolarHBondContact O-N 2.94Å; L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 PolarHBondContact O-N 2.93Å; L102-L122 HydrophobicContact CB-CD1 4.03Å; L102-L122 HydrophobicContact CB-CD2 3.52Å; L102-L122 HydrophobicContact CB-CG 4.26Å; L102-L122 HydrophobicContact CD1-CD2 3.98Å; L102-L122 HydrophobicContact CG-CD2 4.31Å; L102-V125 HydrophobicContact CD1-CB 4.33Å; L102-V125 HydrophobicContact CD1-CG1 3.88Å |
| 103 | F | 89.8 | Confident | 88.9 | Confident | 46 Ų | 46 | 81.7 Ų | 81.7 | 20% | 0.202 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64 | -48.2 | 176.4 | -177.1 | -83.3 | 0 | 0 | 0 | 110.5 | Y99 N100 L106 T107 P114 K119 L122 | Y99-F103 HydrophobicContact CE1-CB 4.34Å; Y99-F103 HydrophobicContact CE1-CD2 4.14Å; Y99-F103 HydrophobicContact CE1-CG 4.48Å; Y99-F103 WeakPolarHBondContact O-CB 3.3Å; Y99-F103 PolarHBondContact O-N 3.15Å; N100-F103 PolarHBondContact O-N 3.1Å; F103-L106 PolarHBondContact O-N 3.41Å; F103-T107 WeakPolarHBondContact CE1-OG1 3.2Å; F103-T107 WeakPolarHBondContact O-CB 3.38Å; F103-T107 PolarHBondContact O-N 3.36Å; F103-T107 PolarHBondContact O-OG1 3.44Å; F103-P114 HydrophobicContact CD2-CG 4.04Å; F103-P114 HydrophobicContact CE2-CG 4.09Å; F103-P114 HydrophobicContact CG-CG 4.5Å; F103-K119 HydrophobicContact CD2-CG 4.42Å; F103-K119 HydrophobicContact CE2-CD 4.04Å; F103-K119 HydrophobicContact CE2-CG 4.15Å; F103-L122 HydrophobicContact CB-CD1 4.02Å |
| 104 | D | 90 | Very high | 88.7 | Confident | 84 Ų | 84 | 78.7 Ų | 78.7 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 178.2 | -69 | -16.2 | 0 | 0 | 0 | 111 | N100 T107 R108 | N100-D104 WeakPolarHBondContact O-CB 3.41Å; N100-D104 VanDerWaalsContact O-CG 3.26Å; N100-D104 PolarHBondContact O-N 3.08Å; D104-T107 PolarHBondContact O-N 3.11Å; D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 VanDerWaalsContact O-CG 3.26Å; D104-R108 WeakPolarHBondContact O-CG 3.33Å; D104-R108 PolarHBondContact O-N 2.93Å |
| 105 | Y | 91.5 | Very high | 88.6 | Confident | 133 Ų | 133 | 81 Ų | 81 | 52% | 0.522 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60 | -48.3 | 175.5 | 178.2 | -101 | 0 | 0 | 0 | 112.3 | F101 K109 | F101-Y105 VanDerWaalsContact O-CB 3.29Å; F101-Y105 WeakPolarHBondContact O-CB 3.24Å; F101-Y105 PolarHBondContact O-N 3.41Å; Y105-K109 HydrophobicContact CE1-CD 4.49Å; Y105-K109 WeakPolarHBondContact O-CB 3.27Å; Y105-K109 PolarHBondContact O-N 2.86Å |
| 106 | L | 89.8 | Confident | 88.4 | Confident | 41 Ų | 41 | 84.3 Ų | 84.3 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.9 | -36.3 | 177.6 | -74.5 | -173.9 | 0 | 0 | 0 | 112.7 | L102 F103 K109 N110 P114 A118 L122 | L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 PolarHBondContact O-N 2.93Å; F103-L106 PolarHBondContact O-N 3.41Å; L106-K109 PolarHBondContact O-N 3.5Å; L106-N110 PolarHBondContact O-N 3.15Å; L106-P114 HydrophobicContact CB-CG 3.87Å; L106-A118 HydrophobicContact CD1-CB 4.38Å; L106-L122 HydrophobicContact CD1-CD1 4.05Å; L106-L122 HydrophobicContact CD1-CD2 3.81Å; L106-L122 HydrophobicContact CD1-CG 4.11Å |
| 107 | T | 90.7 | Very high | 88.3 | Confident | 41 Ų | 41 | 88.5 Ų | 88.5 | 25% | 0.252 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.7 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | F103 D104 K109 D111 S112 P114 | F103-T107 WeakPolarHBondContact CE1-OG1 3.2Å; F103-T107 WeakPolarHBondContact O-CB 3.38Å; F103-T107 PolarHBondContact O-N 3.36Å; F103-T107 PolarHBondContact O-OG1 3.44Å; D104-T107 PolarHBondContact O-N 3.11Å; T107-K109 VanDerWaalsContact C-N 3.35Å; T107-K109 PolarHBondContact O-N 2.9Å; T107-D111 VanDerWaalsContact O-CA 3.28Å; T107-D111 WeakPolarHBondContact O-CA 3.45Å; T107-D111 PolarHBondContact O-N 3.24Å; T107-S112 WeakPolarHBondContact CA-O 3.49Å; T107-S112 PolarHBondContact O-N 2.84Å; T107-P114 VanDerWaalsContact OG1-CD 3.28Å; T107-P114 WeakPolarHBondContact OG1-CD 3.18Å |
| 108 | R | 90.5 | Very high | 88.3 | Confident | 212 Ų | 212 | 87.8 Ų | 87.8 | 80% | 0.8 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.2 | -37.4 | 176.2 | -71.8 | 176 | -175.7 | -148.3 | 1.6 | 112.6 | D104 | D104-R108 WeakPolarHBondContact O-CB 3.42Å; D104-R108 VanDerWaalsContact O-CG 3.26Å; D104-R108 WeakPolarHBondContact O-CG 3.33Å; D104-R108 PolarHBondContact O-N 2.93Å |
| 109 | K | 88 | Confident | 88.1 | Confident | 143 Ų | 143 | 89.6 Ų | 89.6 | 62% | 0.622 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.4 | -36.3 | -179 | -174.2 | 175.9 | 177.9 | 179.4 | 0 | 112.8 | Y105 L106 T107 | Y105-K109 HydrophobicContact CE1-CD 4.49Å; Y105-K109 WeakPolarHBondContact O-CB 3.27Å; Y105-K109 PolarHBondContact O-N 2.86Å; L106-K109 PolarHBondContact O-N 3.5Å; T107-K109 VanDerWaalsContact C-N 3.35Å; T107-K109 PolarHBondContact O-N 2.9Å |
| 110 | N | 85.3 | Confident | 87.8 | Confident | 94 Ų | 94 | 88.7 Ų | 88.7 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -106.9 | 3.2 | -174.8 | -65.5 | -16.6 | 0 | 0 | 0 | 113.7 | L106 S112 | L106-N110 PolarHBondContact O-N 3.15Å; N110-S112 WeakPolarHBondContact O-CB 3.38Å; N110-S112 PolarHBondContact O-N 3.38Å; N110-S112 PolarHBondContact O-OG 2.89Å |
| 111 | D | 83.2 | Confident | 87.7 | Confident | 158 Ų | 158 | 91.5 Ų | 91.5 | 85% | 0.845 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 29.2 | -173.4 | -150.3 | 21.2 | 0 | 0 | 0 | 114.4 | T107 | T107-D111 VanDerWaalsContact O-CA 3.28Å; T107-D111 WeakPolarHBondContact O-CA 3.45Å; T107-D111 PolarHBondContact O-N 3.24Å |
| 112 | S | 84.3 | Confident | 87.6 | Confident | 62 Ų | 62 | 85.2 Ų | 85.2 | 43% | 0.434 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -156.7 | 152.2 | -173.2 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | T107 N110 | T107-S112 WeakPolarHBondContact CA-O 3.49Å; T107-S112 PolarHBondContact O-N 2.84Å; N110-S112 WeakPolarHBondContact O-CB 3.38Å; N110-S112 PolarHBondContact O-N 3.38Å; N110-S112 PolarHBondContact O-OG 2.89Å |
| 113 | S | 85 | Confident | 87.3 | Confident | 71 Ų | 71 | 84.6 Ų | 84.6 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 133 | 177.6 | -166.1 | 0 | 0 | 0 | 0 | 109.8 | K119 | S113-K119 PolarHBondContact OG-NZ 3.49Å; S113-K119 VanDerWaalsContact OG-NZ 3.15Å |
| 114 | P | 84.6 | Confident | 87.1 | Confident | 7 Ų | 7 | 86.4 Ų | 86.4 | 5% | 0.045 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 144.2 | 179.4 | -26.4 | 32.4 | 0 | 0 | 0 | 111.4 | F103 L106 T107 A118 K119 | F103-P114 HydrophobicContact CD2-CG 4.04Å; F103-P114 HydrophobicContact CE2-CG 4.09Å; F103-P114 HydrophobicContact CG-CG 4.5Å; L106-P114 HydrophobicContact CB-CG 3.87Å; T107-P114 VanDerWaalsContact OG1-CD 3.28Å; T107-P114 WeakPolarHBondContact OG1-CD 3.18Å; P114-A118 HydrophobicContact CB-CB 3.83Å; P114-K119 HydrophobicContact CB-CG 4.14Å; P114-K119 WeakPolarHBondContact O-CE 3.32Å |
| 115 | S | 89.5 | Confident | 87.1 | Confident | 76 Ų | 76 | 84.7 Ų | 84.7 | 53% | 0.531 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 161.8 | 175.6 | 70.1 | 0 | 0 | 0 | 0 | 111.6 | L117 A118 K119 | S115-L117 VanDerWaalsContact C-N 3.25Å; S115-L117 PolarHBondContact O-N 3.19Å; S115-A118 WeakPolarHBondContact O-CA 3.49Å; S115-A118 WeakPolarHBondContact O-CB 3.12Å; S115-A118 PolarHBondContact O-N 2.87Å; S115-A118 PolarHBondContact OG-N 2.99Å; S115-K119 WeakPolarHBondContact O-CG 3.42Å; S115-K119 PolarHBondContact O-N 2.7Å |
| 116 | F | 84 | Confident | 87 | Confident | 165 Ų | 165 | 78.3 Ų | 78.3 | 72% | 0.724 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -53.6 | -43.2 | 177.5 | 175.6 | -97.9 | 0 | 0 | 0 | 112.5 | A118 K119 A120 | F116-A118 VanDerWaalsContact C-N 3.35Å; F116-A118 PolarHBondContact O-N 2.73Å; F116-K119 PolarHBondContact O-N 2.83Å; F116-A120 WeakPolarHBondContact O-CB 3.48Å; F116-A120 PolarHBondContact O-N 3.22Å |
| 117 | L | 84.5 | Confident | 87 | Confident | 136 Ų | 136 | 76.6 Ų | 76.6 | 71% | 0.712 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 177.3 | -172.3 | 68.8 | 0 | 0 | 0 | 111.7 | S115 A120 F121 | S115-L117 VanDerWaalsContact C-N 3.25Å; S115-L117 PolarHBondContact O-N 3.19Å; L117-A120 PolarHBondContact O-N 2.99Å; L117-F121 WeakPolarHBondContact O-CB 3.23Å; L117-F121 PolarHBondContact O-N 3.42Å |
| 118 | A | 89.1 | Confident | 86.9 | Confident | 25 Ų | 25 | 75.9 Ų | 75.9 | 21% | 0.207 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L106 P114 S115 F116 A120 F121 L122 | L106-A118 HydrophobicContact CD1-CB 4.38Å; P114-A118 HydrophobicContact CB-CB 3.83Å; S115-A118 WeakPolarHBondContact O-CA 3.49Å; S115-A118 WeakPolarHBondContact O-CB 3.12Å; S115-A118 PolarHBondContact O-N 2.87Å; S115-A118 PolarHBondContact OG-N 2.99Å; F116-A118 VanDerWaalsContact C-N 3.35Å; F116-A118 PolarHBondContact O-N 2.73Å; A118-A120 VanDerWaalsContact C-N 3.31Å; A118-A120 PolarHBondContact O-N 2.83Å; A118-F121 PolarHBondContact O-N 2.92Å; A118-F121 VanDerWaalsContact O-N 3.16Å; A118-L122 VanDerWaalsContact O-CG 3.28Å; A118-L122 WeakPolarHBondContact O-CG 3.4Å; A118-L122 PolarHBondContact O-N 3.2Å |
| 119 | K | 86.6 | Confident | 86.9 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 175.8 | -64.2 | -175.8 | -161 | -168.8 | 0 | 112 | F103 S113 P114 S115 F116 L122 G123 | F103-K119 HydrophobicContact CD2-CG 4.42Å; F103-K119 HydrophobicContact CE2-CD 4.04Å; F103-K119 HydrophobicContact CE2-CG 4.15Å; S113-K119 PolarHBondContact OG-NZ 3.49Å; S113-K119 VanDerWaalsContact OG-NZ 3.15Å; P114-K119 HydrophobicContact CB-CG 4.14Å; P114-K119 WeakPolarHBondContact O-CE 3.32Å; S115-K119 WeakPolarHBondContact O-CG 3.42Å; S115-K119 PolarHBondContact O-N 2.7Å; F116-K119 PolarHBondContact O-N 2.83Å; K119-L122 PolarHBondContact O-N 2.9Å; K119-G123 PolarHBondContact O-N 3.49Å |
| 120 | A | 83.7 | Confident | 87 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 35% | 0.347 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F116 L117 A118 G123 I124 | F116-A120 WeakPolarHBondContact O-CB 3.48Å; F116-A120 PolarHBondContact O-N 3.22Å; L117-A120 PolarHBondContact O-N 2.99Å; A118-A120 VanDerWaalsContact C-N 3.31Å; A118-A120 PolarHBondContact O-N 2.83Å; A120-G123 PolarHBondContact O-N 2.98Å; A120-I124 WeakPolarHBondContact O-CG1 3.49Å; A120-I124 PolarHBondContact O-N 3.39Å |
| 121 | F | 87.5 | Confident | 87.2 | Confident | 133 Ų | 133 | 57.2 Ų | 57.2 | 58% | 0.583 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 176.5 | -174.6 | -99.4 | 0 | 0 | 0 | 112.3 | L117 A118 G123 I124 V125 | L117-F121 WeakPolarHBondContact O-CB 3.23Å; L117-F121 PolarHBondContact O-N 3.42Å; A118-F121 PolarHBondContact O-N 2.92Å; A118-F121 VanDerWaalsContact O-N 3.16Å; F121-G123 VanDerWaalsContact C-N 3.26Å; F121-G123 PolarHBondContact O-N 3.38Å; F121-I124 WeakPolarHBondContact O-CB 3.12Å; F121-I124 PolarHBondContact O-N 3.45Å; F121-I124 VanDerWaalsContact O-N 3.11Å; F121-V125 HydrophobicContact CD1-CG2 4.04Å; F121-V125 HydrophobicContact CE1-CG2 3.61Å; F121-V125 HydrophobicContact CE2-CG2 4.45Å; F121-V125 HydrophobicContact CZ-CG2 3.85Å; F121-V125 WeakPolarHBondContact O-CG2 3.41Å; F121-V125 PolarHBondContact O-N 3.37Å |
| 122 | L | 89.5 | Confident | 87.6 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.1 | -42.1 | 172.9 | -67 | -167.7 | 0 | 0 | 0 | 111.5 | Y99 L102 F103 L106 A118 K119 I124 V125 A126 | Y99-L122 HydrophobicContact CD2-CB 3.98Å; Y99-L122 HydrophobicContact CE2-CB 3.96Å; L102-L122 HydrophobicContact CB-CD1 4.03Å; L102-L122 HydrophobicContact CB-CD2 3.52Å; L102-L122 HydrophobicContact CB-CG 4.26Å; L102-L122 HydrophobicContact CD1-CD2 3.98Å; L102-L122 HydrophobicContact CG-CD2 4.31Å; F103-L122 HydrophobicContact CB-CD1 4.02Å; L106-L122 HydrophobicContact CD1-CD1 4.05Å; L106-L122 HydrophobicContact CD1-CD2 3.81Å; L106-L122 HydrophobicContact CD1-CG 4.11Å; A118-L122 VanDerWaalsContact O-CG 3.28Å; A118-L122 WeakPolarHBondContact O-CG 3.4Å; A118-L122 PolarHBondContact O-N 3.2Å; K119-L122 PolarHBondContact O-N 2.9Å; L122-I124 VanDerWaalsContact C-N 3.34Å; L122-I124 PolarHBondContact O-N 3.49Å; L122-V125 PolarHBondContact O-N 3.49Å; L122-A126 WeakPolarHBondContact O-CB 3.33Å; L122-A126 PolarHBondContact O-N 3.42Å |
| 123 | G | 86.3 | Confident | 88 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K119 A120 F121 G127 | K119-G123 PolarHBondContact O-N 3.49Å; A120-G123 PolarHBondContact O-N 2.98Å; F121-G123 VanDerWaalsContact C-N 3.26Å; F121-G123 PolarHBondContact O-N 3.38Å; G123-G127 PolarHBondContact O-N 3.22Å |
| 124 | I | 86.2 | Confident | 88.4 | Confident | 84 Ų | 84 | 50 Ų | 50 | 43% | 0.431 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.9 | -49.7 | 175.7 | -67.6 | 166.7 | 0 | 0 | 0 | 110.6 | A120 F121 L122 G127 A128 | A120-I124 WeakPolarHBondContact O-CG1 3.49Å; A120-I124 PolarHBondContact O-N 3.39Å; F121-I124 WeakPolarHBondContact O-CB 3.12Å; F121-I124 PolarHBondContact O-N 3.45Å; F121-I124 VanDerWaalsContact O-N 3.11Å; L122-I124 VanDerWaalsContact C-N 3.34Å; L122-I124 PolarHBondContact O-N 3.49Å; I124-G127 PolarHBondContact O-N 2.97Å; I124-A128 WeakPolarHBondContact O-CB 3.49Å; I124-A128 PolarHBondContact O-N 3.45Å |
| 125 | V | 89.6 | Confident | 88.8 | Confident | 48 Ų | 48 | 49.6 Ų | 49.6 | 29% | 0.291 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 179.3 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | L102 F121 L122 G127 A128 V129 | L102-V125 HydrophobicContact CD1-CB 4.33Å; L102-V125 HydrophobicContact CD1-CG1 3.88Å; F121-V125 HydrophobicContact CD1-CG2 4.04Å; F121-V125 HydrophobicContact CE1-CG2 3.61Å; F121-V125 HydrophobicContact CE2-CG2 4.45Å; F121-V125 HydrophobicContact CZ-CG2 3.85Å; F121-V125 WeakPolarHBondContact O-CG2 3.41Å; F121-V125 PolarHBondContact O-N 3.37Å; L122-V125 PolarHBondContact O-N 3.49Å; V125-G127 VanDerWaalsContact C-N 3.3Å; V125-G127 PolarHBondContact O-N 2.94Å; V125-A128 PolarHBondContact O-N 3.36Å; V125-A128 VanDerWaalsContact O-N 3.15Å; V125-V129 HydrophobicContact CG1-CG2 4.41Å; V125-V129 WeakPolarHBondContact O-CG2 3.08Å; V125-V129 PolarHBondContact O-N 3.03Å |
| 126 | A | 89.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R95 V98 L122 G130 | R95-A126 HydrophobicContact CG-CB 4.19Å; R95-A126 WeakPolarHBondContact O-CB 3.08Å; V98-A126 HydrophobicContact CB-CB 4.09Å; V98-A126 HydrophobicContact CG1-CB 3.96Å; L122-A126 WeakPolarHBondContact O-CB 3.33Å; L122-A126 PolarHBondContact O-N 3.42Å; A126-G130 PolarHBondContact O-N 2.71Å |
| 127 | G | 88.1 | Confident | 89.6 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -40.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | G123 I124 V125 A131 | G123-G127 PolarHBondContact O-N 3.22Å; I124-G127 PolarHBondContact O-N 2.97Å; V125-G127 VanDerWaalsContact C-N 3.3Å; V125-G127 PolarHBondContact O-N 2.94Å; G127-A131 WeakPolarHBondContact O-CB 3.36Å; G127-A131 PolarHBondContact O-N 2.92Å |
| 128 | A | 88.9 | Confident | 90.1 | Very high | 26 Ų | 26 | 33.3 Ų | 33.3 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.8 | -47.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I124 V125 G130 A131 I132 V185 | I124-A128 WeakPolarHBondContact O-CB 3.49Å; I124-A128 PolarHBondContact O-N 3.45Å; V125-A128 PolarHBondContact O-N 3.36Å; V125-A128 VanDerWaalsContact O-N 3.15Å; A128-G130 VanDerWaalsContact C-N 3.34Å; A128-G130 PolarHBondContact O-N 2.8Å; A128-A131 WeakPolarHBondContact O-CB 3.36Å; A128-A131 PolarHBondContact O-N 2.85Å; A128-I132 WeakPolarHBondContact O-CG1 3.42Å; A128-I132 PolarHBondContact O-N 3.24Å; A128-V185 HydrophobicContact CB-CG1 4.24Å |
| 129 | V | 91.1 | Very high | 90.4 | Very high | 52 Ų | 52 | 32.1 Ų | 32.1 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 175.4 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | T94 V98 V125 A131 I132 V133 | T94-V129 HydrophobicContact CG2-CG1 3.85Å; V98-V129 HydrophobicContact CG2-CB 4.25Å; V98-V129 HydrophobicContact CG2-CG1 3.86Å; V125-V129 HydrophobicContact CG1-CG2 4.41Å; V125-V129 WeakPolarHBondContact O-CG2 3.08Å; V125-V129 PolarHBondContact O-N 3.03Å; V129-A131 VanDerWaalsContact C-N 3.3Å; V129-A131 PolarHBondContact O-N 2.92Å; V129-I132 PolarHBondContact O-N 2.96Å; V129-V133 WeakPolarHBondContact O-CG2 3.41Å; V129-V133 PolarHBondContact O-N 3.26Å |
| 130 | G | 90.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y91 A126 A128 G134 | Y91-G130 WeakPolarHBondContact CD2-O 3.05Å; A126-G130 PolarHBondContact O-N 2.71Å; A128-G130 VanDerWaalsContact C-N 3.34Å; A128-G130 PolarHBondContact O-N 2.8Å; G130-G134 PolarHBondContact O-N 2.64Å |
| 131 | A | 89.5 | Confident | 91.3 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.3 | -44 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G127 A128 V129 V133 G134 T135 T184 V185 | G127-A131 WeakPolarHBondContact O-CB 3.36Å; G127-A131 PolarHBondContact O-N 2.92Å; A128-A131 WeakPolarHBondContact O-CB 3.36Å; A128-A131 PolarHBondContact O-N 2.85Å; V129-A131 VanDerWaalsContact C-N 3.3Å; V129-A131 PolarHBondContact O-N 2.92Å; A131-V133 PolarHBondContact O-N 2.89Å; A131-G134 CarbonylContact O-C 3.58Å; A131-G134 PolarHBondContact O-N 3.42Å; A131-T135 PolarHBondContact O-N 3.37Å; A131-T135 PolarHBondContact O-OG1 3.39Å; A131-T184 HydrophobicContact CB-CG2 4.1Å; A131-V185 HydrophobicContact CB-CG2 4.15Å |
| 132 | I | 91.8 | Very high | 91.7 | Very high | 73 Ų | 73 | 21 Ų | 21 | 37% | 0.374 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -59.4 | -48.1 | 177.2 | -67.5 | 163.8 | 0 | 0 | 0 | 110.7 | A128 V129 G134 T135 W178 | A128-I132 WeakPolarHBondContact O-CG1 3.42Å; A128-I132 PolarHBondContact O-N 3.24Å; V129-I132 PolarHBondContact O-N 2.96Å; I132-G134 VanDerWaalsContact C-N 3.35Å; I132-T135 PolarHBondContact O-N 2.97Å; I132-W178 PolarHBondContact O-NE1 3.34Å |
| 133 | V | 92.4 | Very high | 91.8 | Very high | 64 Ų | 64 | 20.5 Ų | 20.5 | 39% | 0.388 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -70.2 | -32 | 179.4 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | T94 V129 A131 P136 | T94-V133 HydrophobicContact CG2-CB 3.96Å; T94-V133 HydrophobicContact CG2-CG1 4.47Å; T94-V133 HydrophobicContact CG2-CG2 3.73Å; T94-V133 WeakPolarHBondContact OG1-CG1 3.28Å; V129-V133 WeakPolarHBondContact O-CG2 3.41Å; V129-V133 PolarHBondContact O-N 3.26Å; A131-V133 PolarHBondContact O-N 2.89Å; V133-P136 WeakPolarHBondContact O-CD 3.49Å |
| 134 | G | 92.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -80.7 | -14.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G130 A131 I132 A137 E138 | G130-G134 PolarHBondContact O-N 2.64Å; A131-G134 CarbonylContact O-C 3.58Å; A131-G134 PolarHBondContact O-N 3.42Å; I132-G134 VanDerWaalsContact C-N 3.35Å; G134-A137 PolarHBondContact O-N 3.44Å; G134-E138 WeakPolarHBondContact O-CB 3.45Å; G134-E138 PolarHBondContact O-N 3.48Å |
| 135 | T | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | -175.7 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | A131 I132 A137 E138 L139 L177 C181 | A131-T135 PolarHBondContact O-N 3.37Å; A131-T135 PolarHBondContact O-OG1 3.39Å; I132-T135 PolarHBondContact O-N 2.97Å; T135-A137 VanDerWaalsContact C-N 3.35Å; T135-A137 PolarHBondContact O-N 3.07Å; T135-E138 PolarHBondContact O-N 3.03Å; T135-L139 WeakPolarHBondContact O-CB 3.22Å; T135-L139 PolarHBondContact O-N 3.41Å; T135-L177 WeakPolarHBondContact CG2-O 3.45Å; T135-C181 HydrophobicContact CG2-CB 4.14Å |
| 136 | P | 95.2 | Very high | 92.4 | Very high | 18 Ų | 18 | 13.7 Ų | 13.7 | 12% | 0.117 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | 176.8 | -26.3 | 35.1 | 0 | 0 | 0 | 113.7 | V133 S140 L165 L177 W178 | V133-P136 WeakPolarHBondContact O-CD 3.49Å; P136-S140 PolarHBondContact O-N 3.43Å; P136-S140 VanDerWaalsContact O-N 3.08Å; P136-S140 PolarHBondContact O-OG 2.73Å; P136-L165 HydrophobicContact CB-CD2 3.69Å; P136-L177 HydrophobicContact CB-CB 4.05Å; P136-L177 HydrophobicContact CB-CD1 4.37Å; P136-L177 HydrophobicContact CB-CD2 4.19Å; P136-L177 HydrophobicContact CB-CG 4.45Å; P136-L177 HydrophobicContact CG-CB 4.03Å; P136-W178 HydrophobicContact CG-CZ2 4.19Å |
| 137 | A | 95.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 14.4 Ų | 14.4 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.5 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L86 R87 G134 T135 S140 L141 | L86-A137 HydrophobicContact CB-CB 4.18Å; L86-A137 HydrophobicContact CD2-CB 3.96Å; L86-A137 HydrophobicContact CG-CB 3.89Å; R87-A137 HydrophobicContact CB-CB 3.96Å; G134-A137 PolarHBondContact O-N 3.44Å; T135-A137 VanDerWaalsContact C-N 3.35Å; T135-A137 PolarHBondContact O-N 3.07Å; A137-S140 WeakPolarHBondContact O-CB 3.22Å; A137-S140 PolarHBondContact O-N 3.36Å; A137-L141 WeakPolarHBondContact O-CB 3.41Å; A137-L141 PolarHBondContact O-N 2.83Å |
| 138 | E | 94.3 | Very high | 91.8 | Very high | 14 Ų | 14 | 14.4 Ų | 14.4 | 7% | 0.065 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.7 | -42.6 | 177.2 | -169.8 | 166.6 | -121.6 | 0 | 0 | 113 | R87 G134 T135 S140 L141 I142 T184 K241 Q245 | R87-E138 HydrophobicContact CG-CB 4.14Å; G134-E138 WeakPolarHBondContact O-CB 3.45Å; G134-E138 PolarHBondContact O-N 3.48Å; T135-E138 PolarHBondContact O-N 3.03Å; E138-S140 VanDerWaalsContact C-N 3.29Å; E138-S140 PolarHBondContact O-N 3.31Å; E138-L141 WeakPolarHBondContact O-CB 3.34Å; E138-L141 PolarHBondContact O-N 3.26Å; E138-I142 WeakPolarHBondContact O-CG1 3.49Å; E138-I142 PolarHBondContact O-N 3.32Å; E138-T184 WeakPolarHBondContact OE2-CG2 3.28Å; E138-T184 PolarHBondContact OE2-OG1 2.91Å; E138-K241 WeakPolarHBondContact OE1-CE 3.49Å; E138-K241 IonicContact OE1-NZ 2.76Å; E138-K241 PolarHBondContact OE1-NZ 3.31Å; E138-K241 WeakPolarHBondContact OE2-CE 3.29Å; E138-K241 IonicContact OE2-NZ 3.66Å; E138-K241 PolarHBondContact OE2-NZ 2.79Å; E138-Q245 PolarHBondContact OE2-NE2 3.41Å |
| 139 | L | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 172.5 | 176.8 | 144.9 | 0 | 0 | 0 | 110.7 | T135 L141 I142 R143 V168 T176 R179 Q245 | T135-L139 WeakPolarHBondContact O-CB 3.22Å; T135-L139 PolarHBondContact O-N 3.41Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L139-L141 PolarHBondContact O-N 3.06Å; L139-I142 PolarHBondContact O-N 2.92Å; L139-R143 HydrophobicContact CD2-CG 4.4Å; L139-R143 WeakPolarHBondContact O-CB 3.2Å; L139-R143 VanDerWaalsContact O-CG 3.27Å; L139-R143 WeakPolarHBondContact O-CG 3.22Å; L139-R143 PolarHBondContact O-N 3.43Å; L139-V168 HydrophobicContact CD2-CG1 4.2Å; L139-V168 HydrophobicContact CD2-CG2 4.01Å; L139-T176 HydrophobicContact CD1-CG2 4.48Å; L139-T176 WeakPolarHBondContact CD1-O 3.5Å; L139-R179 HydrophobicContact CD1-CB 4.06Å; L139-Q245 HydrophobicContact CB-CG 4.4Å |
| 140 | S | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 176 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | P136 A137 E138 I142 R143 M144 L165 | P136-S140 PolarHBondContact O-N 3.43Å; P136-S140 VanDerWaalsContact O-N 3.08Å; P136-S140 PolarHBondContact O-OG 2.73Å; A137-S140 WeakPolarHBondContact O-CB 3.22Å; A137-S140 PolarHBondContact O-N 3.36Å; E138-S140 VanDerWaalsContact C-N 3.29Å; E138-S140 PolarHBondContact O-N 3.31Å; S140-I142 PolarHBondContact O-N 3.4Å; S140-R143 PolarHBondContact O-N 3.25Å; S140-M144 VanDerWaalsContact O-CB 3.32Å; S140-M144 WeakPolarHBondContact O-CB 3.23Å; S140-M144 WeakPolarHBondContact O-CG 3.38Å; S140-M144 PolarHBondContact O-N 3.17Å; S140-L165 WeakPolarHBondContact OG-CD2 3.44Å |
| 141 | L | 95.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | 175.9 | 169.4 | 65.7 | 0 | 0 | 0 | 111.6 | G80 A83 A137 E138 L139 R143 M144 T145 | G80-L141 VanDerWaalsContact O-CD1 3.31Å; G80-L141 WeakPolarHBondContact O-CD1 3.2Å; A83-L141 VanDerWaalsContact CB-CA 3.5Å; A83-L141 HydrophobicContact CB-CB 3.72Å; A137-L141 WeakPolarHBondContact O-CB 3.41Å; A137-L141 PolarHBondContact O-N 2.83Å; E138-L141 WeakPolarHBondContact O-CB 3.34Å; E138-L141 PolarHBondContact O-N 3.26Å; L139-L141 VanDerWaalsContact C-N 3.35Å; L139-L141 PolarHBondContact O-N 3.06Å; L141-R143 PolarHBondContact O-N 2.92Å; L141-M144 PolarHBondContact O-N 3.18Å; L141-T145 HydrophobicContact CD1-CG2 3.83Å; L141-T145 WeakPolarHBondContact O-CB 3.18Å; L141-T145 VanDerWaalsContact O-CG2 3.31Å; L141-T145 WeakPolarHBondContact O-CG2 3.35Å; L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 PolarHBondContact O-OG1 3.28Å |
| 142 | I | 94.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | -179.4 | -67.5 | -167.2 | 0 | 0 | 0 | 110.5 | L50 E138 L139 S140 M144 T145 A146 T242 Q245 N246 | L50-I142 HydrophobicContact CD1-CG2 4.22Å; E138-I142 WeakPolarHBondContact O-CG1 3.49Å; E138-I142 PolarHBondContact O-N 3.32Å; L139-I142 PolarHBondContact O-N 2.92Å; S140-I142 PolarHBondContact O-N 3.4Å; I142-M144 PolarHBondContact O-N 2.97Å; I142-T145 WeakPolarHBondContact CA-OG1 3.16Å; I142-T145 PolarHBondContact O-N 2.86Å; I142-T145 PolarHBondContact O-OG1 3.48Å; I142-T145 VanDerWaalsContact O-OG1 3.05Å; I142-A146 WeakPolarHBondContact O-CB 3.5Å; I142-A146 PolarHBondContact O-N 2.63Å; I142-T242 HydrophobicContact CD1-CG2 4.14Å; I142-T242 HydrophobicContact CG2-CG2 4.03Å; I142-Q245 HydrophobicContact CB-CB 4.37Å; I142-Q245 HydrophobicContact CD1-CB 3.96Å; I142-Q245 HydrophobicContact CG2-CB 4.36Å; I142-N246 HydrophobicContact CG2-CB 3.79Å |
| 143 | R | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.7 | -38.5 | -179.5 | -67.4 | -176.4 | 168.9 | -154.7 | -10.8 | 112.8 | L139 S140 L141 D147 R156 Y158 E172 Q245 M247 | L139-R143 HydrophobicContact CD2-CG 4.4Å; L139-R143 WeakPolarHBondContact O-CB 3.2Å; L139-R143 VanDerWaalsContact O-CG 3.27Å; L139-R143 WeakPolarHBondContact O-CG 3.22Å; L139-R143 PolarHBondContact O-N 3.43Å; S140-R143 PolarHBondContact O-N 3.25Å; L141-R143 PolarHBondContact O-N 2.92Å; R143-D147 PolarHBondContact O-N 3Å; R143-D147 VanDerWaalsContact O-N 3.13Å; R143-R156 VanDerWaalsContact CG-NH1 3.32Å; R143-Y158 HydrophobicContact CB-CD2 4.49Å; R143-Y158 HydrophobicContact CB-CE2 3.92Å; R143-E172 IonicContact CZ-OE1 2.96Å; R143-E172 IonicContact CZ-OE2 3.8Å; R143-E172 VanDerWaalsContact NH1-CD 3.3Å; R143-E172 IonicContact NH1-OE1 3.54Å; R143-E172 PolarHBondContact NH1-OE1 2.87Å; R143-E172 IonicContact NH1-OE2 3.39Å; R143-E172 PolarHBondContact NH1-OE2 2.96Å; R143-E172 IonicContact NH2-OE1 3.89Å; R143-E172 PolarHBondContact NH2-OE1 3.34Å; R143-E172 IonicContact NH2-OE2 3.74Å; R143-E172 PolarHBondContact NH2-OE2 2.78Å; R143-Q245 PolarHBondContact NE-O 3.4Å; R143-Q245 VanDerWaalsContact NE-O 3.12Å; R143-M247 PolarHBondContact NH2-O 2.97Å |
| 144 | M | 93.6 | Very high | 88 | Confident | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.6 | -46.9 | 175.4 | -70.3 | 174.2 | 78.6 | 0 | 0 | 111.4 | A83 S140 L141 I142 A146 D147 Y158 A164 | A83-M144 HydrophobicContact CB-SD 3.81Å; S140-M144 VanDerWaalsContact O-CB 3.32Å; S140-M144 WeakPolarHBondContact O-CB 3.23Å; S140-M144 WeakPolarHBondContact O-CG 3.38Å; S140-M144 PolarHBondContact O-N 3.17Å; L141-M144 PolarHBondContact O-N 3.18Å; I142-M144 PolarHBondContact O-N 2.97Å; M144-A146 VanDerWaalsContact C-N 3.29Å; M144-A146 PolarHBondContact O-N 2.98Å; M144-D147 WeakPolarHBondContact O-CB 3.44Å; M144-D147 PolarHBondContact O-N 3.38Å; M144-Y158 HydrophobicContact CG-CD2 3.96Å; M144-Y158 HydrophobicContact CG-CG 4.46Å; M144-A164 HydrophobicContact CG-CB 4.49Å; M144-A164 HydrophobicContact SD-CB 4.32Å |
| 145 | T | 91.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.8 | -29.7 | 178.4 | 52.2 | 0 | 0 | 0 | 0 | 112.9 | L43 N46 R47 D79 L141 I142 | L43-T145 HydrophobicContact CB-CG2 4.07Å; L43-T145 HydrophobicContact CD1-CG2 4.41Å; L43-T145 HydrophobicContact CG-CG2 4.2Å; N46-T145 WeakPolarHBondContact CB-OG1 3.25Å; N46-T145 PolarHBondContact ND2-OG1 2.88Å; R47-T145 WeakPolarHBondContact CG-O 3.44Å; R47-T145 PolarHBondContact NE-O 3.41Å; D79-T145 VanDerWaalsContact O-CG2 3.27Å; D79-T145 WeakPolarHBondContact O-CG2 3.47Å; L141-T145 HydrophobicContact CD1-CG2 3.83Å; L141-T145 WeakPolarHBondContact O-CB 3.18Å; L141-T145 VanDerWaalsContact O-CG2 3.31Å; L141-T145 WeakPolarHBondContact O-CG2 3.35Å; L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 PolarHBondContact O-OG1 3.28Å; I142-T145 WeakPolarHBondContact CA-OG1 3.16Å; I142-T145 PolarHBondContact O-N 2.86Å; I142-T145 PolarHBondContact O-OG1 3.48Å; I142-T145 VanDerWaalsContact O-OG1 3.05Å |
| 146 | A | 88.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.7 | -28 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | L50 I142 M144 G148 R149 N246 | L50-A146 HydrophobicContact CD1-CB 3.35Å; I142-A146 WeakPolarHBondContact O-CB 3.5Å; I142-A146 PolarHBondContact O-N 2.63Å; M144-A146 VanDerWaalsContact C-N 3.29Å; M144-A146 PolarHBondContact O-N 2.98Å; A146-G148 VanDerWaalsContact C-N 3.29Å; A146-G148 PolarHBondContact O-N 2.85Å; A146-R149 VanDerWaalsContact O-CB 3.31Å; A146-R149 WeakPolarHBondContact O-CB 3.49Å; A146-R149 WeakPolarHBondContact O-CD 3.26Å; A146-R149 WeakPolarHBondContact O-CG 2.91Å; A146-R149 PolarHBondContact O-N 3.24Å; A146-N246 VanDerWaalsContact CB-OD1 3.29Å; A146-N246 WeakPolarHBondContact CB-OD1 3.4Å |
| 147 | D | 85.6 | Confident | 86.6 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | -166.1 | -150.2 | 41.3 | 0 | 0 | 0 | 112.6 | R143 M144 R149 L150 R155 R156 G157 | R143-D147 PolarHBondContact O-N 3Å; R143-D147 VanDerWaalsContact O-N 3.13Å; M144-D147 WeakPolarHBondContact O-CB 3.44Å; M144-D147 PolarHBondContact O-N 3.38Å; D147-R149 PolarHBondContact O-N 2.86Å; D147-L150 PolarHBondContact O-N 3.34Å; D147-R155 WeakPolarHBondContact O-CG 3.39Å; D147-R155 VanDerWaalsContact OD1-CA 3.3Å; D147-R155 WeakPolarHBondContact OD1-CA 3.43Å; D147-R155 WeakPolarHBondContact OD2-CB 3.44Å; D147-R156 PolarHBondContact OD1-N 3.42Å; D147-R156 PolarHBondContact OD2-N 2.86Å; D147-G157 PolarHBondContact OD2-N 3.29Å |
| 148 | G | 80.8 | Confident | 86.3 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K71 A146 L150 R155 | K71-G148 PolarHBondContact NZ-O 3.03Å; A146-G148 VanDerWaalsContact C-N 3.29Å; A146-G148 PolarHBondContact O-N 2.85Å; G148-L150 VanDerWaalsContact C-N 3.34Å; G148-R155 PolarHBondContact O-NH2 3.43Å |
| 149 | R | 78.8 | Confident | 86 | Confident | 85 Ų | 85 | 44.9 Ų | 44.9 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -26.7 | 176.6 | 93.1 | -164 | 166.9 | 112 | 10.4 | 112.8 | L50 A146 D147 N246 | L50-R149 PolarHBondContact O-NH1 3.02Å; A146-R149 VanDerWaalsContact O-CB 3.31Å; A146-R149 WeakPolarHBondContact O-CB 3.49Å; A146-R149 WeakPolarHBondContact O-CD 3.26Å; A146-R149 WeakPolarHBondContact O-CG 2.91Å; A146-R149 PolarHBondContact O-N 3.24Å; D147-R149 PolarHBondContact O-N 2.86Å; R149-N246 PolarHBondContact NH2-ND2 3.18Å |
| 150 | L | 80.9 | Confident | 85.9 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -81 | 150.5 | -175.6 | -60.3 | 175 | 0 | 0 | 0 | 110.6 | K71 D147 G148 K154 R155 | K71-L150 PolarHBondContact NZ-O 2.87Å; D147-L150 PolarHBondContact O-N 3.34Å; G148-L150 VanDerWaalsContact C-N 3.34Å; L150-K154 HydrophobicContact CB-CB 4.22Å; L150-K154 VanDerWaalsContact CD1-O 3.23Å; L150-K154 WeakPolarHBondContact CD1-O 3.36Å; L150-R155 HydrophobicContact CB-CG 4.08Å; L150-R155 PolarHBondContact O-NE 3.49Å |
| 151 | P | 74.4 | Confident | 85.9 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 51% | 0.506 | 25% | 0.252 | S | S | . | . | trans | -54.8 | 149.8 | 162.9 | -21.7 | 32.7 | 0 | 0 | 0 | 110.3 | E153 K154 R155 | P151-E153 PolarHBondContact O-N 3.46Å; P151-K154 PolarHBondContact O-N 3.12Å; P151-R155 WeakPolarHBondContact O-CG 3.32Å; P151-R155 PolarHBondContact O-N 2.92Å | ||
| 152 | L | 75.1 | Confident | 85.9 | Confident | 134 Ų | 134 | 54.2 Ų | 54.2 | 70% | 0.702 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -50.7 | -37.4 | -174.3 | -71.5 | 170.9 | 0 | 0 | 0 | 112.9 | K154 R155 | L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 3.48Å; L152-R155 WeakPolarHBondContact O-CB 3.47Å; L152-R155 PolarHBondContact O-N 2.97Å |
| 153 | E | 75.2 | Confident | 85.9 | Confident | 188 Ų | 188 | 56.4 Ų | 56.4 | 88% | 0.879 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -69.2 | -27.2 | -179.7 | -60.9 | 169.6 | -164.9 | 0 | 0 | 114.2 | P151 | P151-E153 PolarHBondContact O-N 3.46Š|
| 154 | K | 79.8 | Confident | 86 | Confident | 145 Ų | 145 | 56.4 Ų | 56.4 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -99.8 | -2 | -179.8 | -64.7 | -171.1 | 178.6 | -175.9 | 0 | 112.6 | L150 P151 L152 | L150-K154 HydrophobicContact CB-CB 4.22Å; L150-K154 VanDerWaalsContact CD1-O 3.23Å; L150-K154 WeakPolarHBondContact CD1-O 3.36Å; P151-K154 PolarHBondContact O-N 3.12Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 3.48Å |
| 155 | R | 83.4 | Confident | 86.1 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | trans | -67.8 | 136.8 | 176.2 | -74.1 | -174.2 | 178.7 | -172.6 | -15.4 | 109.5 | D72 D147 G148 L150 P151 L152 G157 | D72-R155 IonicContact OD1-CZ 3.34Å; D72-R155 IonicContact OD1-NH1 3.9Å; D72-R155 IonicContact OD1-NH2 3.05Å; D72-R155 PolarHBondContact OD1-NH2 3.48Å; D72-R155 IonicContact OD2-NH2 3.29Å; D147-R155 WeakPolarHBondContact O-CG 3.39Å; D147-R155 VanDerWaalsContact OD1-CA 3.3Å; D147-R155 WeakPolarHBondContact OD1-CA 3.43Å; D147-R155 WeakPolarHBondContact OD2-CB 3.44Å; G148-R155 PolarHBondContact O-NH2 3.43Å; L150-R155 HydrophobicContact CB-CG 4.08Å; L150-R155 PolarHBondContact O-NE 3.49Å; P151-R155 WeakPolarHBondContact O-CG 3.32Å; P151-R155 PolarHBondContact O-N 2.92Å; L152-R155 WeakPolarHBondContact O-CB 3.47Å; L152-R155 PolarHBondContact O-N 2.97Å; R155-G157 VanDerWaalsContact C-N 3.32Å | ||
| 156 | R | 83.7 | Confident | 86.3 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 8% | 0.083 | 32% | 0.324 | C | S | . | . | trans | -69.2 | -34.2 | 172.1 | -63.7 | 174 | 172.1 | 128.6 | -7.3 | 110.2 | R143 D147 Y158 R167 N246 Q248 | R143-R156 VanDerWaalsContact CG-NH1 3.32Å; D147-R156 PolarHBondContact OD1-N 3.42Å; D147-R156 PolarHBondContact OD2-N 2.86Å; R156-Y158 HydrophobicContact CB-CD1 4.45Å; R156-Y158 HydrophobicContact CB-CD2 4.09Å; R156-Y158 HydrophobicContact CB-CE1 4.15Å; R156-Y158 HydrophobicContact CB-CE2 3.79Å; R156-Y158 HydrophobicContact CB-CG 4.42Å; R156-Y158 VanDerWaalsContact CD-CE2 3.45Å; R156-Y158 HydrophobicContact CG-CE2 4.25Å; R156-R167 PolarHBondContact O-NH1 2.98Å; R156-R167 PolarHBondContact O-NH2 3.3Å; R156-N246 PolarHBondContact NH1-OD1 2.94Å; R156-N246 PolarHBondContact NH2-O 3.38Å; R156-Q248 VanDerWaalsContact NH2-CG 3.33Å | ||
| 157 | G | 85.2 | Confident | 86.5 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | trans | 67.1 | 41.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | D147 R155 S159 | D147-G157 PolarHBondContact OD2-N 3.29Å; R155-G157 VanDerWaalsContact C-N 3.32Å; G157-S159 PolarHBondContact O-N 2.88Å | ||
| 158 | Y | 88.5 | Confident | 86.9 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 8% | 0.078 | 33% | 0.331 | C | S | . | . | trans | -71.3 | 123.6 | 176.4 | -61.9 | -44.8 | 0 | 0 | 0 | 110.9 | R143 M144 R156 A164 R167 | R143-Y158 HydrophobicContact CB-CD2 4.49Å; R143-Y158 HydrophobicContact CB-CE2 3.92Å; M144-Y158 HydrophobicContact CG-CD2 3.96Å; M144-Y158 HydrophobicContact CG-CG 4.46Å; R156-Y158 HydrophobicContact CB-CD1 4.45Å; R156-Y158 HydrophobicContact CB-CD2 4.09Å; R156-Y158 HydrophobicContact CB-CE1 4.15Å; R156-Y158 HydrophobicContact CB-CE2 3.79Å; R156-Y158 HydrophobicContact CB-CG 4.42Å; R156-Y158 VanDerWaalsContact CD-CE2 3.45Å; R156-Y158 HydrophobicContact CG-CE2 4.25Å; Y158-A164 HydrophobicContact CD1-CB 3.98Å; Y158-A164 HydrophobicContact CD2-CB 3.73Å; Y158-A164 HydrophobicContact CE1-CB 4.39Å; Y158-A164 HydrophobicContact CE2-CB 4.14Å; Y158-A164 HydrophobicContact CG-CB 3.63Å; Y158-R167 HydrophobicContact CD1-CB 4.38Å; Y158-R167 HydrophobicContact CE1-CB 3.76Å | ||
| 159 | S | 89 | Confident | 87.5 | Confident | 89 Ų | 89 | 68.2 Ų | 68.2 | 62% | 0.622 | 35% | 0.345 | S | S | * | . | trans | -74.1 | -37 | 179.8 | 57.1 | 0 | 0 | 0 | 0 | 112.9 | G157 N163 | G157-S159 PolarHBondContact O-N 2.88Å; S159-N163 PolarHBondContact N-OD1 2.89Å; S159-N163 VanDerWaalsContact OG-CB 3.27Å; S159-N163 WeakPolarHBondContact OG-CB 3.29Å | ||
| 160 | N | 92.4 | Very high | 88.1 | Confident | 61 Ų | 61 | 71.7 Ų | 71.7 | 33% | 0.326 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -157.6 | 177.2 | 177.3 | 61.6 | 49.9 | 0 | 0 | 0 | 110.6 | F162 N163 A164 | N160-F162 VanDerWaalsContact C-N 3.32Å; N160-F162 PolarHBondContact O-N 3.17Å; N160-F162 WeakPolarHBondContact OD1-CB 3.43Å; N160-F162 PolarHBondContact OD1-N 3.08Å; N160-N163 PolarHBondContact O-N 2.86Å; N160-N163 PolarHBondContact OD1-N 2.71Å; N160-A164 PolarHBondContact O-N 3.2Å |
| 161 | V | 94 | Very high | 88.6 | Confident | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.4 | -37.1 | -179.9 | 67.2 | 0 | 0 | 0 | 0 | 113.9 | S82 A83 L86 A164 L165 | S82-V161 PolarHBondContact OG-N 2.98Å; S82-V161 VanDerWaalsContact OG-N 3.16Å; A83-V161 HydrophobicContact CB-CB 3.89Å; A83-V161 HydrophobicContact CB-CG2 3.67Å; L86-V161 HydrophobicContact CB-CG1 4.24Å; L86-V161 HydrophobicContact CB-CG2 4.23Å; L86-V161 HydrophobicContact CD2-CB 4.35Å; L86-V161 HydrophobicContact CD2-CG1 3.95Å; L86-V161 HydrophobicContact CD2-CG2 3.46Å; L86-V161 VanDerWaalsContact CD2-CG2 3.46Å; L86-V161 HydrophobicContact CG-CG2 4.47Å; V161-A164 WeakPolarHBondContact O-CB 3.41Å; V161-A164 PolarHBondContact O-N 2.57Å; V161-L165 HydrophobicContact CG2-CD1 4.22Å; V161-L165 HydrophobicContact CG2-CG 4.36Å; V161-L165 WeakPolarHBondContact O-CB 3.34Å; V161-L165 VanDerWaalsContact O-CG 3.26Å; V161-L165 WeakPolarHBondContact O-CG 3.31Å; V161-L165 PolarHBondContact O-N 2.87Å |
| 162 | F | 95.8 | Very high | 89.3 | Confident | 140 Ų | 140 | 74.7 Ų | 74.7 | 61% | 0.614 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -71.1 | -39.9 | -179.7 | -61 | -70.2 | 0 | 0 | 0 | 111.6 | N160 A164 L165 F166 | N160-F162 VanDerWaalsContact C-N 3.32Å; N160-F162 PolarHBondContact O-N 3.17Å; N160-F162 WeakPolarHBondContact OD1-CB 3.43Å; N160-F162 PolarHBondContact OD1-N 3.08Å; F162-A164 VanDerWaalsContact C-N 3.33Å; F162-L165 PolarHBondContact O-N 2.61Å; F162-F166 VanDerWaalsContact O-CB 3.31Å; F162-F166 WeakPolarHBondContact O-CB 3.26Å; F162-F166 PolarHBondContact O-N 2.97Å |
| 163 | N | 95.3 | Very high | 90 | Very high | 49 Ų | 49 | 69.8 Ų | 69.8 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 170.7 | -179.1 | -99.4 | 0 | 0 | 0 | 111 | S159 N160 F166 R167 | S159-N163 PolarHBondContact N-OD1 2.89Å; S159-N163 VanDerWaalsContact OG-CB 3.27Å; S159-N163 WeakPolarHBondContact OG-CB 3.29Å; N160-N163 PolarHBondContact O-N 2.86Å; N160-N163 PolarHBondContact OD1-N 2.71Å; N163-F166 PolarHBondContact O-N 2.63Å; N163-R167 VanDerWaalsContact O-CB 3.27Å; N163-R167 WeakPolarHBondContact O-CB 3.49Å; N163-R167 VanDerWaalsContact O-CG 3.26Å; N163-R167 WeakPolarHBondContact O-CG 3.44Å; N163-R167 PolarHBondContact O-N 2.94Å; N163-R167 WeakPolarHBondContact OD1-CD 3.26Å |
| 164 | A | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.8 | -50.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M144 Y158 N160 V161 F162 F166 R167 V168 | M144-A164 HydrophobicContact CG-CB 4.49Å; M144-A164 HydrophobicContact SD-CB 4.32Å; Y158-A164 HydrophobicContact CD1-CB 3.98Å; Y158-A164 HydrophobicContact CD2-CB 3.73Å; Y158-A164 HydrophobicContact CE1-CB 4.39Å; Y158-A164 HydrophobicContact CE2-CB 4.14Å; Y158-A164 HydrophobicContact CG-CB 3.63Å; N160-A164 PolarHBondContact O-N 3.2Å; V161-A164 WeakPolarHBondContact O-CB 3.41Å; V161-A164 PolarHBondContact O-N 2.57Å; F162-A164 VanDerWaalsContact C-N 3.33Å; A164-F166 PolarHBondContact O-N 2.87Å; A164-R167 PolarHBondContact O-N 3.48Å; A164-V168 WeakPolarHBondContact O-CB 3.36Å; A164-V168 WeakPolarHBondContact O-CG2 3.22Å; A164-V168 PolarHBondContact O-N 2.91Å |
| 165 | L | 94.9 | Very high | 91.3 | Very high | 36 Ų | 36 | 62 Ų | 62 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59 | -49.3 | 178.5 | -71.2 | 171.3 | 0 | 0 | 0 | 111.8 | L86 P136 S140 V161 F162 R167 V168 V169 L177 | L86-L165 HydrophobicContact CD2-CD1 3.87Å; P136-L165 HydrophobicContact CB-CD2 3.69Å; S140-L165 WeakPolarHBondContact OG-CD2 3.44Å; V161-L165 HydrophobicContact CG2-CD1 4.22Å; V161-L165 HydrophobicContact CG2-CG 4.36Å; V161-L165 WeakPolarHBondContact O-CB 3.34Å; V161-L165 VanDerWaalsContact O-CG 3.26Å; V161-L165 WeakPolarHBondContact O-CG 3.31Å; V161-L165 PolarHBondContact O-N 2.87Å; F162-L165 PolarHBondContact O-N 2.61Å; L165-R167 PolarHBondContact O-N 2.87Å; L165-V168 PolarHBondContact O-N 3.35Å; L165-V169 VanDerWaalsContact O-CG2 3.31Å; L165-V169 WeakPolarHBondContact O-CG2 3.23Å; L165-V169 PolarHBondContact O-N 3.16Å; L165-L177 HydrophobicContact CD2-CD2 3.73Å |
| 166 | F | 95.9 | Very high | 91.7 | Very high | 132 Ų | 132 | 59.5 Ų | 59.5 | 58% | 0.579 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.4 | -46.1 | 179.5 | 178.2 | -99.8 | 0 | 0 | 0 | 111.8 | F162 N163 A164 V169 K170 | F162-F166 VanDerWaalsContact O-CB 3.31Å; F162-F166 WeakPolarHBondContact O-CB 3.26Å; F162-F166 PolarHBondContact O-N 2.97Å; N163-F166 PolarHBondContact O-N 2.63Å; A164-F166 PolarHBondContact O-N 2.87Å; F166-V169 PolarHBondContact O-N 2.9Å; F166-K170 HydrophobicContact CE1-CD 3.9Å; F166-K170 HydrophobicContact CZ-CD 4.16Å; F166-K170 VanDerWaalsContact O-CB 3.32Å; F166-K170 WeakPolarHBondContact O-CB 3.41Å; F166-K170 PolarHBondContact O-N 3Å |
| 167 | R | 93.9 | Very high | 92.2 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 23% | 0.234 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.1 | -40.1 | -179.7 | -72.9 | -176 | 64.7 | -166.1 | -7.9 | 112.5 | R156 Y158 N163 A164 L165 V169 K170 E171 | R156-R167 PolarHBondContact O-NH1 2.98Å; R156-R167 PolarHBondContact O-NH2 3.3Å; Y158-R167 HydrophobicContact CD1-CB 4.38Å; Y158-R167 HydrophobicContact CE1-CB 3.76Å; N163-R167 VanDerWaalsContact O-CB 3.27Å; N163-R167 WeakPolarHBondContact O-CB 3.49Å; N163-R167 VanDerWaalsContact O-CG 3.26Å; N163-R167 WeakPolarHBondContact O-CG 3.44Å; N163-R167 PolarHBondContact O-N 2.94Å; N163-R167 WeakPolarHBondContact OD1-CD 3.26Å; A164-R167 PolarHBondContact O-N 3.48Å; L165-R167 PolarHBondContact O-N 2.87Å; R167-V169 VanDerWaalsContact C-N 3.29Å; R167-V169 PolarHBondContact O-N 3.37Å; R167-K170 PolarHBondContact O-N 3.25Å; R167-E171 IonicContact CZ-OE1 2.59Å; R167-E171 IonicContact NE-OE1 3.34Å; R167-E171 PolarHBondContact NE-OE1 3.32Å; R167-E171 IonicContact NH2-OE1 2.81Å; R167-E171 PolarHBondContact NH2-OE1 3.06Å; R167-E171 VanDerWaalsContact NH2-OE1 3.12Å; R167-E171 IonicContact NH2-OE2 2.73Å; R167-E171 WeakPolarHBondContact O-CB 3.33Å; R167-E171 VanDerWaalsContact O-CG 3.31Å; R167-E171 WeakPolarHBondContact O-CG 3.15Å; R167-E171 PolarHBondContact O-N 2.87Å |
| 168 | V | 92.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 173.9 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | L139 A164 L165 E172 G173 T176 L177 | L139-V168 HydrophobicContact CD2-CG1 4.2Å; L139-V168 HydrophobicContact CD2-CG2 4.01Å; A164-V168 WeakPolarHBondContact O-CB 3.36Å; A164-V168 WeakPolarHBondContact O-CG2 3.22Å; A164-V168 PolarHBondContact O-N 2.91Å; L165-V168 PolarHBondContact O-N 3.35Å; V168-E172 CarbonylContact O-C 3.52Å; V168-E172 WeakPolarHBondContact O-CA 3.32Å; V168-E172 WeakPolarHBondContact O-CB 3.1Å; V168-E172 PolarHBondContact O-N 3.46Å; V168-G173 PolarHBondContact O-N 3.33Å; V168-T176 HydrophobicContact CG1-CG2 3.72Å; V168-L177 HydrophobicContact CB-CD2 4.02Å; V168-L177 HydrophobicContact CG1-CD2 3.67Å; V168-L177 HydrophobicContact CG1-CG 4.32Å |
| 169 | V | 93.5 | Very high | 92.7 | Very high | 54 Ų | 54 | 63 Ų | 63 | 33% | 0.327 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 177.7 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | L165 F166 R167 G173 V174 L177 | L165-V169 VanDerWaalsContact O-CG2 3.31Å; L165-V169 WeakPolarHBondContact O-CG2 3.23Å; L165-V169 PolarHBondContact O-N 3.16Å; F166-V169 PolarHBondContact O-N 2.9Å; R167-V169 VanDerWaalsContact C-N 3.29Å; R167-V169 PolarHBondContact O-N 3.37Å; V169-G173 WeakPolarHBondContact O-CA 3.47Å; V169-G173 PolarHBondContact O-N 2.82Å; V169-G173 VanDerWaalsContact O-N 3.12Å; V169-V174 HydrophobicContact CG1-CG2 3.67Å; V169-V174 HydrophobicContact CG2-CG2 4.37Å; V169-L177 HydrophobicContact CG2-CD1 3.61Å; V169-L177 HydrophobicContact CG2-CD2 4.39Å; V169-L177 HydrophobicContact CG2-CG 4.07Å |
| 170 | K | 92.6 | Very high | 92.8 | Very high | 158 Ų | 158 | 59.2 Ų | 59.2 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -70.9 | -40.1 | -176.9 | -174.7 | 178.2 | 178.5 | -177.5 | 0 | 113.2 | F166 R167 | F166-K170 HydrophobicContact CE1-CD 3.9Å; F166-K170 HydrophobicContact CZ-CD 4.16Å; F166-K170 VanDerWaalsContact O-CB 3.32Å; F166-K170 WeakPolarHBondContact O-CB 3.41Å; F166-K170 PolarHBondContact O-N 3Å; R167-K170 PolarHBondContact O-N 3.25Å |
| 171 | E | 90.6 | Very high | 92.7 | Very high | 108 Ų | 108 | 57.3 Ų | 57.3 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -94.3 | -34.2 | -171.6 | -61.9 | 170.6 | -164.8 | 0 | 0 | 112.4 | R167 | R167-E171 IonicContact CZ-OE1 2.59Å; R167-E171 IonicContact NE-OE1 3.34Å; R167-E171 PolarHBondContact NE-OE1 3.32Å; R167-E171 IonicContact NH2-OE1 2.81Å; R167-E171 PolarHBondContact NH2-OE1 3.06Å; R167-E171 VanDerWaalsContact NH2-OE1 3.12Å; R167-E171 IonicContact NH2-OE2 2.73Å; R167-E171 WeakPolarHBondContact O-CB 3.33Å; R167-E171 VanDerWaalsContact O-CG 3.31Å; R167-E171 WeakPolarHBondContact O-CG 3.15Å; R167-E171 PolarHBondContact O-N 2.87Å |
| 172 | E | 88.8 | Confident | 92.6 | Very high | 56 Ų | 56 | 59.2 Ų | 59.2 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -122.3 | -1.9 | -173.8 | -64.1 | -176.4 | -130.8 | 0 | 0 | 114 | R143 V168 T176 R179 | R143-E172 IonicContact CZ-OE1 2.96Å; R143-E172 IonicContact CZ-OE2 3.8Å; R143-E172 VanDerWaalsContact NH1-CD 3.3Å; R143-E172 IonicContact NH1-OE1 3.54Å; R143-E172 PolarHBondContact NH1-OE1 2.87Å; R143-E172 IonicContact NH1-OE2 3.39Å; R143-E172 PolarHBondContact NH1-OE2 2.96Å; R143-E172 IonicContact NH2-OE1 3.89Å; R143-E172 PolarHBondContact NH2-OE1 3.34Å; R143-E172 IonicContact NH2-OE2 3.74Å; R143-E172 PolarHBondContact NH2-OE2 2.78Å; V168-E172 CarbonylContact O-C 3.52Å; V168-E172 WeakPolarHBondContact O-CA 3.32Å; V168-E172 WeakPolarHBondContact O-CB 3.1Å; V168-E172 PolarHBondContact O-N 3.46Å; E172-T176 HydrophobicContact CB-CG2 3.98Å; E172-T176 PolarHBondContact O-OG1 2.96Å; E172-T176 WeakPolarHBondContact OE2-CG2 3.48Å; E172-R179 IonicContact OE2-NH1 3.12Å; E172-R179 IonicContact OE2-NH2 3.93Å |
| 173 | G | 89.8 | Confident | 92.4 | Very high | 31 Ų | 31 | 53.2 Ų | 53.2 | 32% | 0.32 | 29% | 0.288 | S | S | . | . | trans | 82.3 | 157.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V168 V169 A175 T176 | V168-G173 PolarHBondContact O-N 3.33Å; V169-G173 WeakPolarHBondContact O-CA 3.47Å; V169-G173 PolarHBondContact O-N 2.82Å; V169-G173 VanDerWaalsContact O-N 3.12Å; G173-A175 VanDerWaalsContact C-N 3.32Å; G173-A175 PolarHBondContact O-N 2.9Å; G173-T176 WeakPolarHBondContact O-CB 3.47Å; G173-T176 PolarHBondContact O-N 3.43Å; G173-T176 VanDerWaalsContact O-N 3.13Å | ||
| 174 | V | 92.5 | Very high | 92.2 | Very high | 83 Ų | 83 | 51 Ų | 51 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -59.3 | -38.8 | -174 | 177.8 | 0 | 0 | 0 | 0 | 112.9 | V169 T176 L177 W178 | V169-V174 HydrophobicContact CG1-CG2 3.67Å; V169-V174 HydrophobicContact CG2-CG2 4.37Å; V174-T176 PolarHBondContact O-N 3.43Å; V174-T176 VanDerWaalsContact O-N 3.12Å; V174-L177 WeakPolarHBondContact O-CB 3.27Å; V174-L177 PolarHBondContact O-N 3.48Å; V174-L177 VanDerWaalsContact O-N 3.08Å; V174-W178 HydrophobicContact CG1-CZ3 3.91Å |
| 175 | A | 91.3 | Very high | 91.9 | Very high | 86 Ų | 86 | 52.6 Ų | 52.6 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -60 | -25.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | G173 L177 W178 | G173-A175 VanDerWaalsContact C-N 3.32Å; G173-A175 PolarHBondContact O-N 2.9Å; A175-L177 PolarHBondContact O-N 2.92Å; A175-W178 PolarHBondContact O-N 3.34Å |
| 176 | T | 91.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -63.2 | -28.6 | 178.3 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | L139 V168 E172 G173 V174 W178 R179 | L139-T176 HydrophobicContact CD1-CG2 4.48Å; L139-T176 WeakPolarHBondContact CD1-O 3.5Å; V168-T176 HydrophobicContact CG1-CG2 3.72Å; E172-T176 HydrophobicContact CB-CG2 3.98Å; E172-T176 PolarHBondContact O-OG1 2.96Å; E172-T176 WeakPolarHBondContact OE2-CG2 3.48Å; G173-T176 WeakPolarHBondContact O-CB 3.47Å; G173-T176 PolarHBondContact O-N 3.43Å; G173-T176 VanDerWaalsContact O-N 3.13Å; V174-T176 PolarHBondContact O-N 3.43Å; V174-T176 VanDerWaalsContact O-N 3.12Å; T176-W178 PolarHBondContact O-N 3.11Å; T176-W178 VanDerWaalsContact O-N 3.12Å; T176-R179 WeakPolarHBondContact O-CB 3.47Å; T176-R179 PolarHBondContact O-N 2.99Å; T176-R179 PolarHBondContact OG1-NH2 3.3Å; T176-R179 VanDerWaalsContact OG1-NH2 3.15Å |
| 177 | L | 93.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -60.1 | -24.8 | 178.8 | -66.4 | 178.4 | 0 | 0 | 0 | 113.7 | T135 P136 L165 V168 V169 V174 A175 | T135-L177 WeakPolarHBondContact CG2-O 3.45Å; P136-L177 HydrophobicContact CB-CB 4.05Å; P136-L177 HydrophobicContact CB-CD1 4.37Å; P136-L177 HydrophobicContact CB-CD2 4.19Å; P136-L177 HydrophobicContact CB-CG 4.45Å; P136-L177 HydrophobicContact CG-CB 4.03Å; L165-L177 HydrophobicContact CD2-CD2 3.73Å; V168-L177 HydrophobicContact CB-CD2 4.02Å; V168-L177 HydrophobicContact CG1-CD2 3.67Å; V168-L177 HydrophobicContact CG1-CG 4.32Å; V169-L177 HydrophobicContact CG2-CD1 3.61Å; V169-L177 HydrophobicContact CG2-CD2 4.39Å; V169-L177 HydrophobicContact CG2-CG 4.07Å; V174-L177 WeakPolarHBondContact O-CB 3.27Å; V174-L177 PolarHBondContact O-N 3.48Å; V174-L177 VanDerWaalsContact O-N 3.08Å; A175-L177 PolarHBondContact O-N 2.92Å |
| 178 | W | 94.3 | Very high | 91 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 39% | 0.394 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -101.1 | 11 | 177.5 | -73.6 | -85 | 0 | 0 | 0 | 113.8 | I132 P136 V174 A175 T176 G180 C181 | I132-W178 PolarHBondContact O-NE1 3.34Å; P136-W178 HydrophobicContact CG-CZ2 4.19Å; V174-W178 HydrophobicContact CG1-CZ3 3.91Å; A175-W178 PolarHBondContact O-N 3.34Å; T176-W178 PolarHBondContact O-N 3.11Å; T176-W178 VanDerWaalsContact O-N 3.12Å; W178-G180 PolarHBondContact O-N 3.2Å; W178-C181 HydrophobicContact CB-CB 4.31Å; W178-C181 WeakPolarHBondContact O-CB 3.21Å; W178-C181 PolarHBondContact O-N 3.2Å |
| 179 | R | 91.2 | Very high | 90.7 | Very high | 47 Ų | 47 | 53.4 Ų | 53.4 | 18% | 0.177 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 129.5 | 174.4 | -169.3 | 179.7 | -71.8 | 165.8 | 9.8 | 109.6 | L139 E172 T176 C181 L244 Q245 M247 | L139-R179 HydrophobicContact CD1-CB 4.06Å; E172-R179 IonicContact OE2-NH1 3.12Å; E172-R179 IonicContact OE2-NH2 3.93Å; T176-R179 WeakPolarHBondContact O-CB 3.47Å; T176-R179 PolarHBondContact O-N 2.99Å; T176-R179 PolarHBondContact OG1-NH2 3.3Å; T176-R179 VanDerWaalsContact OG1-NH2 3.15Å; R179-C181 VanDerWaalsContact C-N 3.31Å; R179-L244 WeakPolarHBondContact CD-O 3.39Å; R179-L244 VanDerWaalsContact CG-O 3.28Å; R179-L244 WeakPolarHBondContact CG-O 3.18Å; R179-Q245 WeakPolarHBondContact O-CG 3.39Å; R179-M247 PolarHBondContact NH1-O 3.3Å |
| 180 | G | 89.5 | Confident | 90.5 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 9.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | W178 G182 P183 T184 | W178-G180 PolarHBondContact O-N 3.2Å; G180-G182 VanDerWaalsContact C-N 3.33Å; G180-G182 PolarHBondContact O-N 3.11Å; G180-P183 WeakPolarHBondContact O-CD 3.31Å; G180-T184 WeakPolarHBondContact O-CB 2.94Å; G180-T184 PolarHBondContact O-N 3.45Å; G180-T184 PolarHBondContact O-OG1 3.24Å |
| 181 | C | 91.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 14% | 0.142 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -43.4 | 174.6 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | T135 W178 R179 T184 V185 | T135-C181 HydrophobicContact CG2-CB 4.14Å; W178-C181 HydrophobicContact CB-CB 4.31Å; W178-C181 WeakPolarHBondContact O-CB 3.21Å; W178-C181 PolarHBondContact O-N 3.2Å; R179-C181 VanDerWaalsContact C-N 3.31Å; C181-T184 WeakPolarHBondContact O-CA 3.27Å; C181-T184 VanDerWaalsContact O-CB 3.3Å; C181-T184 WeakPolarHBondContact O-CB 3.21Å; C181-T184 PolarHBondContact O-N 3.43Å; C181-V185 WeakPolarHBondContact O-CG2 2.94Å; C181-V185 PolarHBondContact O-N 3.03Å |
| 182 | G | 91.8 | Very high | 90.1 | Very high | 43 Ų | 43 | 44.7 Ų | 44.7 | 44% | 0.443 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -54.5 | -58.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G180 T184 V185 I186 | G180-G182 VanDerWaalsContact C-N 3.33Å; G180-G182 PolarHBondContact O-N 3.11Å; G182-T184 PolarHBondContact O-N 3.36Å; G182-V185 PolarHBondContact O-N 2.93Å; G182-V185 VanDerWaalsContact O-N 3.16Å; G182-I186 WeakPolarHBondContact O-CG1 3.48Å; G182-I186 PolarHBondContact O-N 3.45Å |
| 183 | P | 92.6 | Very high | 90 | Very high | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.5 | -29.7 | 173.3 | -32.1 | 41.4 | 0 | 0 | 0 | 114.2 | G180 R187 V237 K241 L244 A259 | G180-P183 WeakPolarHBondContact O-CD 3.31Å; P183-R187 WeakPolarHBondContact O-CB 3.38Å; P183-R187 PolarHBondContact O-N 3.43Å; P183-V237 HydrophobicContact CB-CG1 4.34Å; P183-V237 VanDerWaalsContact O-CG1 3.31Å; P183-V237 WeakPolarHBondContact O-CG1 3.35Å; P183-K241 HydrophobicContact CB-CB 3.79Å; P183-L244 HydrophobicContact CG-CD1 3.88Å; P183-A259 HydrophobicContact CG-CB 3.82Å |
| 184 | T | 89.4 | Confident | 90.1 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 175.4 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | A131 E138 G180 C181 G182 R187 A188 Q245 | A131-T184 HydrophobicContact CB-CG2 4.1Å; E138-T184 WeakPolarHBondContact OE2-CG2 3.28Å; E138-T184 PolarHBondContact OE2-OG1 2.91Å; G180-T184 WeakPolarHBondContact O-CB 2.94Å; G180-T184 PolarHBondContact O-N 3.45Å; G180-T184 PolarHBondContact O-OG1 3.24Å; C181-T184 WeakPolarHBondContact O-CA 3.27Å; C181-T184 VanDerWaalsContact O-CB 3.3Å; C181-T184 WeakPolarHBondContact O-CB 3.21Å; C181-T184 PolarHBondContact O-N 3.43Å; G182-T184 PolarHBondContact O-N 3.36Å; T184-R187 PolarHBondContact O-N 3.1Å; T184-A188 PolarHBondContact O-N 3.12Å; T184-A188 VanDerWaalsContact O-N 3.08Å; T184-Q245 PolarHBondContact OG1-NE2 2.93Å |
| 185 | V | 88.3 | Confident | 89.8 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 19% | 0.194 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -47.7 | 175.6 | 176 | 0 | 0 | 0 | 0 | 110.6 | A128 A131 C181 G182 R187 A188 M189 | A128-V185 HydrophobicContact CB-CG1 4.24Å; A131-V185 HydrophobicContact CB-CG2 4.15Å; C181-V185 WeakPolarHBondContact O-CG2 2.94Å; C181-V185 PolarHBondContact O-N 3.03Å; G182-V185 PolarHBondContact O-N 2.93Å; G182-V185 VanDerWaalsContact O-N 3.16Å; V185-R187 VanDerWaalsContact C-N 3.28Å; V185-R187 PolarHBondContact O-N 3.48Å; V185-A188 WeakPolarHBondContact O-CB 3.43Å; V185-A188 PolarHBondContact O-N 3.08Å; V185-M189 HydrophobicContact CG1-SD 4.27Å; V185-M189 WeakPolarHBondContact O-CG 3.46Å; V185-M189 PolarHBondContact O-N 3.26Å |
| 186 | I | 90.4 | Very high | 89.5 | Confident | 87 Ų | 87 | 46.9 Ų | 46.9 | 45% | 0.446 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.2 | -43.3 | 177.4 | -65.2 | 168.3 | 0 | 0 | 0 | 110.3 | G182 A188 M189 V190 V237 | G182-I186 WeakPolarHBondContact O-CG1 3.48Å; G182-I186 PolarHBondContact O-N 3.45Å; I186-A188 VanDerWaalsContact C-N 3.32Å; I186-A188 PolarHBondContact O-N 3.12Å; I186-M189 WeakPolarHBondContact O-CB 3.49Å; I186-M189 PolarHBondContact O-N 3.29Å; I186-V190 HydrophobicContact CG2-CG2 4.2Å; I186-V190 WeakPolarHBondContact O-CG2 3.33Å; I186-V190 PolarHBondContact O-N 3.38Å; I186-V237 HydrophobicContact CB-CG1 4.11Å; I186-V237 HydrophobicContact CG2-CG1 3.88Å; I186-V237 HydrophobicContact CG2-CG2 4.3Å |
| 187 | R | 89.6 | Confident | 89.4 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 16% | 0.155 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 176.8 | -173.5 | -160.4 | 68.2 | 84.3 | 3.4 | 111 | P183 T184 V185 M189 V190 V191 V237 D238 | P183-R187 WeakPolarHBondContact O-CB 3.38Å; P183-R187 PolarHBondContact O-N 3.43Å; T184-R187 PolarHBondContact O-N 3.1Å; V185-R187 VanDerWaalsContact C-N 3.28Å; V185-R187 PolarHBondContact O-N 3.48Å; R187-M189 VanDerWaalsContact C-N 3.33Å; R187-M189 PolarHBondContact O-N 2.96Å; R187-V190 PolarHBondContact O-N 3.27Å; R187-V191 HydrophobicContact CG-CG2 4.45Å; R187-V191 WeakPolarHBondContact O-CB 3.2Å; R187-V191 VanDerWaalsContact O-CG2 3.25Å; R187-V191 WeakPolarHBondContact O-CG2 3.37Å; R187-V191 PolarHBondContact O-N 2.93Å; R187-V237 HydrophobicContact CB-CB 4.31Å; R187-V237 HydrophobicContact CB-CG1 3.81Å; R187-D238 WeakPolarHBondContact CD-OD1 3.41Å; R187-D238 HydrophobicContact CG-CB 4.42Å |
| 188 | A | 87 | Confident | 89.3 | Confident | 12 Ų | 12 | 50 Ų | 50 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T184 V185 I186 N192 | T184-A188 PolarHBondContact O-N 3.12Å; T184-A188 VanDerWaalsContact O-N 3.08Å; V185-A188 WeakPolarHBondContact O-CB 3.43Å; V185-A188 PolarHBondContact O-N 3.08Å; I186-A188 VanDerWaalsContact C-N 3.32Å; I186-A188 PolarHBondContact O-N 3.12Å; A188-N192 WeakPolarHBondContact O-CB 3.45Å; A188-N192 VanDerWaalsContact O-CG 3.31Å; A188-N192 PolarHBondContact O-N 3.3Å; A188-N192 PolarHBondContact O-ND2 3.23Å |
| 189 | M | 85.6 | Confident | 88.9 | Confident | 107 Ų | 107 | 48.8 Ų | 48.8 | 53% | 0.527 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63 | -48 | 175.6 | -65.1 | 172.9 | 67.6 | 0 | 0 | 112 | V185 I186 R187 V191 N192 A193 | V185-M189 HydrophobicContact CG1-SD 4.27Å; V185-M189 WeakPolarHBondContact O-CG 3.46Å; V185-M189 PolarHBondContact O-N 3.26Å; I186-M189 WeakPolarHBondContact O-CB 3.49Å; I186-M189 PolarHBondContact O-N 3.29Å; R187-M189 VanDerWaalsContact C-N 3.33Å; R187-M189 PolarHBondContact O-N 2.96Å; M189-V191 VanDerWaalsContact C-N 3.35Å; M189-V191 PolarHBondContact O-N 2.78Å; M189-N192 PolarHBondContact O-N 3.05Å; M189-A193 VanDerWaalsContact O-CB 3.27Å; M189-A193 WeakPolarHBondContact O-CB 3.44Å; M189-A193 PolarHBondContact O-N 3.07Å |
| 190 | V | 90.5 | Very high | 88.7 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 178.9 | 170.4 | 0 | 0 | 0 | 0 | 111 | I186 R187 T194 V237 | I186-V190 HydrophobicContact CG2-CG2 4.2Å; I186-V190 WeakPolarHBondContact O-CG2 3.33Å; I186-V190 PolarHBondContact O-N 3.38Å; R187-V190 PolarHBondContact O-N 3.27Å; V190-T194 WeakPolarHBondContact O-CB 3.31Å; V190-T194 PolarHBondContact O-N 3.17Å; V190-T194 PolarHBondContact O-OG1 3.16Å; V190-V237 HydrophobicContact CG2-CG2 4.37Å |
| 191 | V | 89.2 | Confident | 88.8 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 177.4 | 167.2 | 0 | 0 | 0 | 0 | 110.6 | R187 M189 Q195 T230 | R187-V191 HydrophobicContact CG-CG2 4.45Å; R187-V191 WeakPolarHBondContact O-CB 3.2Å; R187-V191 VanDerWaalsContact O-CG2 3.25Å; R187-V191 WeakPolarHBondContact O-CG2 3.37Å; R187-V191 PolarHBondContact O-N 2.93Å; M189-V191 VanDerWaalsContact C-N 3.35Å; M189-V191 PolarHBondContact O-N 2.78Å; V191-Q195 WeakPolarHBondContact O-CB 3.4Å; V191-Q195 PolarHBondContact O-N 3.44Å; V191-T230 HydrophobicContact CB-CG2 4.23Å; V191-T230 HydrophobicContact CG1-CG2 3.87Å; V191-T230 HydrophobicContact CG2-CG2 4.09Å |
| 192 | N | 84.9 | Confident | 88.6 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | -179.6 | -73.8 | -27.9 | 0 | 0 | 0 | 112.1 | A188 M189 L196 | A188-N192 WeakPolarHBondContact O-CB 3.45Å; A188-N192 VanDerWaalsContact O-CG 3.31Å; A188-N192 PolarHBondContact O-N 3.3Å; A188-N192 PolarHBondContact O-ND2 3.23Å; M189-N192 PolarHBondContact O-N 3.05Å; N192-L196 WeakPolarHBondContact O-CB 3.5Å; N192-L196 PolarHBondContact O-N 3.07Å |
| 193 | A | 87 | Confident | 88.3 | Confident | 62 Ų | 62 | 54 Ų | 54 | 51% | 0.512 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M189 A197 | M189-A193 VanDerWaalsContact O-CB 3.27Å; M189-A193 WeakPolarHBondContact O-CB 3.44Å; M189-A193 PolarHBondContact O-N 3.07Å; A193-A197 VanDerWaalsContact O-CB 3.29Å; A193-A197 WeakPolarHBondContact O-CB 3.11Å; A193-A197 PolarHBondContact O-N 3.48Å |
| 194 | T | 90.5 | Very high | 88.1 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 11% | 0.11 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 179.1 | -52.4 | 0 | 0 | 0 | 0 | 110.2 | V190 L196 A197 T198 A229 T233 | V190-T194 WeakPolarHBondContact O-CB 3.31Å; V190-T194 PolarHBondContact O-N 3.17Å; V190-T194 PolarHBondContact O-OG1 3.16Å; T194-L196 PolarHBondContact O-N 3.08Å; T194-A197 PolarHBondContact O-N 3.39Å; T194-T198 HydrophobicContact CG2-CG2 3.67Å; T194-T198 VanDerWaalsContact O-CB 3.23Å; T194-T198 WeakPolarHBondContact O-CB 3.16Å; T194-T198 WeakPolarHBondContact O-CG2 3.3Å; T194-T198 PolarHBondContact O-N 2.99Å; T194-T198 PolarHBondContact O-OG1 3.41Å; T194-A229 HydrophobicContact CG2-CB 4.18Å; T194-T233 WeakPolarHBondContact CB-OG1 3.2Å; T194-T233 HydrophobicContact CG2-CG2 3.99Å; T194-T233 WeakPolarHBondContact CG2-OG1 3.22Å; T194-T233 PolarHBondContact OG1-OG1 3.42Å |
| 195 | Q | 88 | Confident | 88 | Confident | 104 Ų | 104 | 61.9 Ų | 61.9 | 49% | 0.486 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.6 | -49.2 | -178.8 | -174.7 | 176.4 | 45.6 | 0 | 0 | 111 | V191 Y199 S226 | V191-Q195 WeakPolarHBondContact O-CB 3.4Å; V191-Q195 PolarHBondContact O-N 3.44Å; Q195-Y199 WeakPolarHBondContact O-CB 3.31Å; Q195-Y199 PolarHBondContact O-N 2.98Å; Q195-S226 PolarHBondContact O-OG 3.41Å |
| 196 | L | 83.3 | Confident | 87.9 | Confident | 117 Ų | 117 | 61.9 Ų | 61.9 | 61% | 0.613 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.3 | -50.6 | -179.7 | -176.4 | 61.5 | 0 | 0 | 0 | 112.1 | N192 T194 S200 | N192-L196 WeakPolarHBondContact O-CB 3.5Å; N192-L196 PolarHBondContact O-N 3.07Å; T194-L196 PolarHBondContact O-N 3.08Å; L196-S200 WeakPolarHBondContact O-CB 3.15Å; L196-S200 PolarHBondContact O-N 2.9Å; L196-S200 VanDerWaalsContact O-N 3.12Å |
| 197 | A | 89.9 | Confident | 87.7 | Confident | 62 Ų | 62 | 60.6 Ų | 60.6 | 51% | 0.512 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A193 T194 S200 Q201 | A193-A197 VanDerWaalsContact O-CB 3.29Å; A193-A197 WeakPolarHBondContact O-CB 3.11Å; A193-A197 PolarHBondContact O-N 3.48Å; T194-A197 PolarHBondContact O-N 3.39Å; A197-S200 PolarHBondContact O-N 3.33Å; A197-Q201 WeakPolarHBondContact O-CB 3.45Å; A197-Q201 PolarHBondContact O-N 3.48Å |
| 198 | T | 90.5 | Very high | 87.5 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 18% | 0.184 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -72.3 | -34.8 | -175.7 | 59.4 | 0 | 0 | 0 | 0 | 112 | T194 S202 S226 A229 | T194-T198 HydrophobicContact CG2-CG2 3.67Å; T194-T198 VanDerWaalsContact O-CB 3.23Å; T194-T198 WeakPolarHBondContact O-CB 3.16Å; T194-T198 WeakPolarHBondContact O-CG2 3.3Å; T194-T198 PolarHBondContact O-N 2.99Å; T194-T198 PolarHBondContact O-OG1 3.41Å; T198-S202 WeakPolarHBondContact O-CB 3.25Å; T198-S202 PolarHBondContact O-N 2.84Å; T198-S202 PolarHBondContact O-OG 2.85Å; T198-S226 WeakPolarHBondContact OG1-CA 3.4Å; T198-S226 WeakPolarHBondContact OG1-CB 3.34Å; T198-S226 PolarHBondContact OG1-OG 2.92Å; T198-A229 HydrophobicContact CG2-CB 3.62Å |
| 199 | Y | 87 | Confident | 87.1 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 30% | 0.302 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 175 | -175.8 | -91.7 | 0 | 0 | 0 | 111.2 | Q195 Q201 S202 K203 H219 A222 | Q195-Y199 WeakPolarHBondContact O-CB 3.31Å; Q195-Y199 PolarHBondContact O-N 2.98Å; Y199-Q201 PolarHBondContact O-N 3.46Å; Y199-S202 PolarHBondContact O-N 2.71Å; Y199-K203 WeakPolarHBondContact O-CB 3.4Å; Y199-K203 PolarHBondContact O-N 3.04Å; Y199-H219 PolarHBondContact OH-ND1 2.91Å; Y199-A222 HydrophobicContact CD2-CB 4.42Å; Y199-A222 HydrophobicContact CE2-CB 4.28Å |
| 200 | S | 87.1 | Confident | 86.4 | Confident | 70 Ų | 70 | 69.5 Ų | 69.5 | 49% | 0.49 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.1 | -49 | 178 | -170.3 | 0 | 0 | 0 | 0 | 111.2 | L196 A197 K203 Q204 | L196-S200 WeakPolarHBondContact O-CB 3.15Å; L196-S200 PolarHBondContact O-N 2.9Å; L196-S200 VanDerWaalsContact O-N 3.12Å; A197-S200 PolarHBondContact O-N 3.33Å; S200-K203 PolarHBondContact O-N 3.43Å; S200-Q204 WeakPolarHBondContact O-CB 3.2Å; S200-Q204 PolarHBondContact O-N 3.25Å |
| 201 | Q | 90.4 | Very high | 85.3 | Confident | 99 Ų | 99 | 74.7 Ų | 74.7 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 179.9 | -168 | 63.5 | 32.8 | 0 | 0 | 112 | A197 Y199 Q204 L205 | A197-Q201 WeakPolarHBondContact O-CB 3.45Å; A197-Q201 PolarHBondContact O-N 3.48Å; Y199-Q201 PolarHBondContact O-N 3.46Å; Q201-Q204 PolarHBondContact O-N 3.37Å; Q201-L205 HydrophobicContact CG-CD1 4.11Å; Q201-L205 WeakPolarHBondContact O-CB 3.27Å; Q201-L205 WeakPolarHBondContact O-CG 3.32Å; Q201-L205 PolarHBondContact O-N 3.37Å |
| 202 | S | 88.1 | Confident | 84 | Confident | 12 Ų | 12 | 76 Ų | 76 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.1 | -42.1 | -179.6 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | T198 Y199 L205 L206 I225 | T198-S202 WeakPolarHBondContact O-CB 3.25Å; T198-S202 PolarHBondContact O-N 2.84Å; T198-S202 PolarHBondContact O-OG 2.85Å; Y199-S202 PolarHBondContact O-N 2.71Å; S202-L205 PolarHBondContact O-N 3.35Å; S202-L206 WeakPolarHBondContact O-CB 3.02Å; S202-L206 VanDerWaalsContact O-CG 3.23Å; S202-L206 WeakPolarHBondContact O-CG 3.38Å; S202-L206 PolarHBondContact O-N 3.39Å; S202-I225 WeakPolarHBondContact OG-CG2 3.35Å |
| 203 | K | 85.6 | Confident | 83.6 | Confident | 50 Ų | 50 | 81.8 Ų | 81.8 | 22% | 0.217 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.4 | -176.5 | 174.8 | 176.7 | 170.1 | 0 | 110.9 | Y199 S200 L206 L207 D214 A222 | Y199-K203 WeakPolarHBondContact O-CB 3.4Å; Y199-K203 PolarHBondContact O-N 3.04Å; S200-K203 PolarHBondContact O-N 3.43Å; K203-L206 PolarHBondContact O-N 2.85Å; K203-L207 HydrophobicContact CG-CD1 3.99Å; K203-L207 HydrophobicContact CG-CG 4.46Å; K203-L207 VanDerWaalsContact O-CG 3.3Å; K203-L207 WeakPolarHBondContact O-CG 3.49Å; K203-L207 PolarHBondContact O-N 2.91Å; K203-D214 WeakPolarHBondContact CE-OD1 2.95Å; K203-D214 WeakPolarHBondContact CE-OD2 3.38Å; K203-D214 VanDerWaalsContact NZ-CG 3.29Å; K203-D214 IonicContact NZ-OD1 3.38Å; K203-D214 PolarHBondContact NZ-OD1 3.47Å; K203-D214 IonicContact NZ-OD2 3.56Å; K203-D214 PolarHBondContact NZ-OD2 3.2Å; K203-A222 HydrophobicContact CB-CB 4.34Å |
| 204 | Q | 88.3 | Confident | 83.1 | Confident | 94 Ų | 94 | 83.3 Ų | 83.3 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 178.9 | -177.9 | 176.6 | -8.6 | 0 | 0 | 111.9 | S200 Q201 L206 L207 Q208 | S200-Q204 WeakPolarHBondContact O-CB 3.2Å; S200-Q204 PolarHBondContact O-N 3.25Å; Q201-Q204 PolarHBondContact O-N 3.37Å; Q204-L206 PolarHBondContact O-N 3.36Å; Q204-L207 PolarHBondContact O-N 2.8Å; Q204-Q208 HydrophobicContact CG-CG 4.45Å; Q204-Q208 WeakPolarHBondContact O-CB 3.35Å; Q204-Q208 VanDerWaalsContact O-CG 3.28Å; Q204-Q208 WeakPolarHBondContact O-CG 3.17Å; Q204-Q208 PolarHBondContact O-N 3.17Å |
| 205 | L | 87.8 | Confident | 82.6 | Confident | 88 Ų | 88 | 83.9 Ų | 83.9 | 46% | 0.461 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 178.5 | -71.8 | 172.8 | 0 | 0 | 0 | 111.7 | Q201 S202 L207 Q208 T209 | Q201-L205 HydrophobicContact CG-CD1 4.11Å; Q201-L205 WeakPolarHBondContact O-CB 3.27Å; Q201-L205 WeakPolarHBondContact O-CG 3.32Å; Q201-L205 PolarHBondContact O-N 3.37Å; S202-L205 PolarHBondContact O-N 3.35Å; L205-L207 PolarHBondContact O-N 3.17Å; L205-Q208 PolarHBondContact O-N 3.33Å; L205-T209 WeakPolarHBondContact O-CG2 3.39Å; L205-T209 PolarHBondContact O-N 2.78Å |
| 206 | L | 85.8 | Confident | 82.4 | Confident | 31 Ų | 31 | 85.3 Ų | 85.3 | 16% | 0.162 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 178.8 | -73.4 | 168.8 | 0 | 0 | 0 | 112.1 | S202 K203 Q204 T209 W221 A222 | S202-L206 WeakPolarHBondContact O-CB 3.02Å; S202-L206 VanDerWaalsContact O-CG 3.23Å; S202-L206 WeakPolarHBondContact O-CG 3.38Å; S202-L206 PolarHBondContact O-N 3.39Å; K203-L206 PolarHBondContact O-N 2.85Å; Q204-L206 PolarHBondContact O-N 3.36Å; L206-T209 PolarHBondContact O-N 3.01Å; L206-T209 PolarHBondContact O-OG1 2.84Å; L206-W221 HydrophobicContact CD1-CB 3.88Å; L206-A222 HydrophobicContact CD1-CB 4Å |
| 207 | L | 85.5 | Confident | 82.3 | Confident | 60 Ų | 60 | 85.7 Ų | 85.7 | 31% | 0.314 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.9 | -36.5 | 176.2 | -67.7 | 175 | 0 | 0 | 0 | 112.4 | K203 Q204 L205 T209 N210 D214 | K203-L207 HydrophobicContact CG-CD1 3.99Å; K203-L207 HydrophobicContact CG-CG 4.46Å; K203-L207 VanDerWaalsContact O-CG 3.3Å; K203-L207 WeakPolarHBondContact O-CG 3.49Å; K203-L207 PolarHBondContact O-N 2.91Å; Q204-L207 PolarHBondContact O-N 2.8Å; L205-L207 PolarHBondContact O-N 3.17Å; L207-T209 VanDerWaalsContact C-N 3.33Å; L207-T209 PolarHBondContact O-N 3.43Å; L207-N210 PolarHBondContact O-N 2.94Å; L207-D214 HydrophobicContact CD2-CB 3.91Å |
| 208 | Q | 85.7 | Confident | 82 | Confident | 120 Ų | 120 | 82.8 Ų | 82.8 | 56% | 0.561 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.9 | -30.6 | 177.5 | -78 | 178.8 | -16.4 | 0 | 0 | 113.3 | Q204 L205 N210 | Q204-Q208 HydrophobicContact CG-CG 4.45Å; Q204-Q208 WeakPolarHBondContact O-CB 3.35Å; Q204-Q208 VanDerWaalsContact O-CG 3.28Å; Q204-Q208 WeakPolarHBondContact O-CG 3.17Å; Q204-Q208 PolarHBondContact O-N 3.17Å; L205-Q208 PolarHBondContact O-N 3.33Å; Q208-N210 PolarHBondContact O-N 3.5Å |
| 209 | T | 79.1 | Confident | 81.8 | Confident | 75 Ų | 75 | 84.2 Ų | 84.2 | 46% | 0.46 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -8.8 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | L205 L206 L207 L211 | L205-T209 WeakPolarHBondContact O-CG2 3.39Å; L205-T209 PolarHBondContact O-N 2.78Å; L206-T209 PolarHBondContact O-N 3.01Å; L206-T209 PolarHBondContact O-OG1 2.84Å; L207-T209 VanDerWaalsContact C-N 3.33Å; L207-T209 PolarHBondContact O-N 3.43Å; T209-L211 HydrophobicContact CG2-CD1 4.5Å; T209-L211 PolarHBondContact O-N 3.31Å |
| 210 | N | 70.2 | Confident | 81.7 | Confident | 153 Ų | 153 | 85.9 Ų | 85.9 | 82% | 0.818 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 54.4 | 0.6 | -171 | -76.3 | -35.3 | 0 | 0 | 0 | 115 | L207 Q208 M212 | L207-N210 PolarHBondContact O-N 2.94Å; Q208-N210 PolarHBondContact O-N 3.5Å; N210-M212 VanDerWaalsContact C-N 3.27Å; N210-M212 PolarHBondContact O-N 3.47Å |
| 211 | L | 66.6 | Low | 81.8 | Confident | 146 Ų | 146 | 88.6 Ų | 88.6 | 76% | 0.764 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -70.6 | -25.4 | 177.9 | -70.3 | 166.4 | 0 | 0 | 0 | 111.6 | T209 | T209-L211 HydrophobicContact CG2-CD1 4.5Å; T209-L211 PolarHBondContact O-N 3.31Å |
| 212 | M | 63.9 | Low | 81.7 | Confident | 55 Ų | 55 | 83.9 Ų | 83.9 | 27% | 0.271 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -140.5 | 129.6 | -175.9 | -63.2 | -166.3 | 133.4 | 0 | 0 | 111.7 | N210 H217 C218 | N210-M212 VanDerWaalsContact C-N 3.27Å; N210-M212 PolarHBondContact O-N 3.47Å; M212-H217 HydrophobicContact CE-CB 3.53Å; M212-H217 HydrophobicContact SD-CB 4.27Å; M212-C218 HydrophobicContact CB-CB 4.42Å |
| 213 | K | 74.8 | Confident | 81.7 | Confident | 195 Ų | 195 | 86.1 Ų | 86.1 | 85% | 0.848 | 43% | 0.432 | S | S | * | . | trans | -75.3 | 158.9 | 167.3 | -66.7 | -176.6 | 179 | -179.9 | 0 | 110.3 | G215 | K213-G215 PolarHBondContact O-N 2.86Š| ||
| 214 | D | 76.3 | Confident | 81.9 | Confident | 93 Ų | 93 | 86 Ų | 86 | 50% | 0.497 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -61.1 | 111.6 | 174 | -155.7 | 11.6 | 0 | 0 | 0 | 109 | K203 L207 H219 | K203-D214 WeakPolarHBondContact CE-OD1 2.95Å; K203-D214 WeakPolarHBondContact CE-OD2 3.38Å; K203-D214 VanDerWaalsContact NZ-CG 3.29Å; K203-D214 IonicContact NZ-OD1 3.38Å; K203-D214 PolarHBondContact NZ-OD1 3.47Å; K203-D214 IonicContact NZ-OD2 3.56Å; K203-D214 PolarHBondContact NZ-OD2 3.2Å; L207-D214 HydrophobicContact CD2-CB 3.91Å; D214-H219 IonicContact OD1-CD2 3.83Å; D214-H219 IonicContact OD1-CE1 3.01Å; D214-H219 IonicContact OD1-NE2 2.78Å; D214-H219 PolarHBondContact OD1-NE2 2.62Å |
| 215 | G | 80.8 | Confident | 82 | Confident | 30 Ų | 30 | 85.2 Ų | 85.2 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -177.1 | 176.5 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K213 H217 C218 H219 | K213-G215 PolarHBondContact O-N 2.86Å; G215-H217 PolarHBondContact O-N 3.45Å; G215-H217 VanDerWaalsContact O-N 3.15Å; G215-C218 WeakPolarHBondContact O-CB 3.26Å; G215-C218 PolarHBondContact O-N 3.31Å; G215-H219 PolarHBondContact O-CD2 3.44Å; G215-H219 VanDerWaalsContact O-CD2 3.31Å; G215-H219 PolarHBondContact O-N 3.34Å; G215-H219 VanDerWaalsContact O-N 3.08Å |
| 216 | I | 83.3 | Confident | 82.2 | Confident | 135 Ų | 135 | 81.2 Ų | 81.2 | 69% | 0.692 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -55.2 | -39 | -171.1 | -170.2 | 61 | 0 | 0 | 0 | 113 | F220 | I216-F220 VanDerWaalsContact O-CB 3.27Å; I216-F220 WeakPolarHBondContact O-CB 3.27Å; I216-F220 PolarHBondContact O-N 3.01Å |
| 217 | H | 82.1 | Confident | 82.5 | Confident | 125 Ų | 125 | 80.4 Ų | 80.4 | 58% | 0.579 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68.5 | -39.7 | 178.9 | -60.4 | -64 | 0 | 0 | 0 | 112.7 | M212 G215 F220 W221 | M212-H217 HydrophobicContact CE-CB 3.53Å; M212-H217 HydrophobicContact SD-CB 4.27Å; G215-H217 PolarHBondContact O-N 3.45Å; G215-H217 VanDerWaalsContact O-N 3.15Å; H217-F220 PolarHBondContact O-N 3.19Å; H217-W221 PolarHBondContact O-N 3.43Å |
| 218 | C | 83.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 176.1 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | M212 G215 F220 W221 A222 | M212-C218 HydrophobicContact CB-CB 4.42Å; G215-C218 WeakPolarHBondContact O-CB 3.26Å; G215-C218 PolarHBondContact O-N 3.31Å; C218-F220 VanDerWaalsContact C-N 3.3Å; C218-F220 PolarHBondContact O-N 2.92Å; C218-W221 PolarHBondContact O-N 2.64Å; C218-A222 VanDerWaalsContact O-CB 3.22Å; C218-A222 WeakPolarHBondContact O-CB 3.32Å; C218-A222 PolarHBondContact O-N 3.35Å |
| 219 | H | 85 | Confident | 83.3 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 28% | 0.282 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | 176.3 | -73.2 | -68.8 | 0 | 0 | 0 | 112.7 | Y199 D214 G215 S223 | Y199-H219 PolarHBondContact OH-ND1 2.91Å; D214-H219 IonicContact OD1-CD2 3.83Å; D214-H219 IonicContact OD1-CE1 3.01Å; D214-H219 IonicContact OD1-NE2 2.78Å; D214-H219 PolarHBondContact OD1-NE2 2.62Å; G215-H219 PolarHBondContact O-CD2 3.44Å; G215-H219 VanDerWaalsContact O-CD2 3.31Å; G215-H219 PolarHBondContact O-N 3.34Å; G215-H219 VanDerWaalsContact O-N 3.08Å; H219-S223 WeakPolarHBondContact O-CB 3.47Å; H219-S223 PolarHBondContact O-N 3.42Å; H219-S223 PolarHBondContact O-OG 3.21Å |
| 220 | F | 86.3 | Confident | 84 | Confident | 111 Ų | 111 | 73.5 Ų | 73.5 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -53.6 | 176.9 | 178.3 | -104 | 0 | 0 | 0 | 111.9 | I216 H217 C218 S223 M224 | I216-F220 VanDerWaalsContact O-CB 3.27Å; I216-F220 WeakPolarHBondContact O-CB 3.27Å; I216-F220 PolarHBondContact O-N 3.01Å; H217-F220 PolarHBondContact O-N 3.19Å; C218-F220 VanDerWaalsContact C-N 3.3Å; C218-F220 PolarHBondContact O-N 2.92Å; F220-S223 PolarHBondContact O-N 2.68Å; F220-M224 HydrophobicContact CD1-CE 3.52Å; F220-M224 HydrophobicContact CD1-SD 4.26Å; F220-M224 HydrophobicContact CE1-CE 3.1Å; F220-M224 HydrophobicContact CE1-CG 4.46Å; F220-M224 HydrophobicContact CE1-SD 3.53Å; F220-M224 VanDerWaalsContact CE1-SD 3.53Å; F220-M224 HydrophobicContact CE2-CG 4.48Å; F220-M224 HydrophobicContact CE2-SD 4.13Å; F220-M224 HydrophobicContact CG-CE 4.43Å; F220-M224 HydrophobicContact CZ-CE 3.73Å; F220-M224 HydrophobicContact CZ-CG 4.32Å; F220-M224 HydrophobicContact CZ-SD 3.44Å; F220-M224 WeakPolarHBondContact CZ-SD 2.78Å; F220-M224 WeakPolarHBondContact O-CG 3.46Å; F220-M224 PolarHBondContact O-N 3.4Å |
| 221 | W | 88.4 | Confident | 85.1 | Confident | 127 Ų | 127 | 66.2 Ų | 66.2 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 179.2 | -74 | 110 | 0 | 0 | 0 | 112.5 | L206 H217 C218 S223 M224 I225 | L206-W221 HydrophobicContact CD1-CB 3.88Å; H217-W221 PolarHBondContact O-N 3.43Å; C218-W221 PolarHBondContact O-N 2.64Å; W221-S223 VanDerWaalsContact C-N 3.29Å; W221-S223 PolarHBondContact O-N 3.43Å; W221-M224 HydrophobicContact CD2-CE 3.43Å; W221-M224 VanDerWaalsContact CD2-CE 3.43Å; W221-M224 HydrophobicContact CE3-CE 3.01Å; W221-M224 HydrophobicContact CG-CE 4.21Å; W221-M224 HydrophobicContact CH2-CE 3.65Å; W221-M224 HydrophobicContact CZ2-CE 4.05Å; W221-M224 HydrophobicContact CZ3-CE 3.13Å; W221-M224 PolarHBondContact O-N 3.48Å; W221-I225 WeakPolarHBondContact O-CG1 3.15Å; W221-I225 PolarHBondContact O-N 2.9Å |
| 222 | A | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y199 K203 L206 C218 S226 | Y199-A222 HydrophobicContact CD2-CB 4.42Å; Y199-A222 HydrophobicContact CE2-CB 4.28Å; K203-A222 HydrophobicContact CB-CB 4.34Å; L206-A222 HydrophobicContact CD1-CB 4Å; C218-A222 VanDerWaalsContact O-CB 3.22Å; C218-A222 WeakPolarHBondContact O-CB 3.32Å; C218-A222 PolarHBondContact O-N 3.35Å; A222-S226 VanDerWaalsContact O-CB 3.22Å; A222-S226 WeakPolarHBondContact O-CB 3.27Å; A222-S226 PolarHBondContact O-N 3.11Å |
| 223 | S | 88.4 | Confident | 87.9 | Confident | 60 Ų | 60 | 62.5 Ų | 62.5 | 42% | 0.42 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.7 | -37.9 | 177.4 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | H219 F220 W221 G227 | H219-S223 WeakPolarHBondContact O-CB 3.47Å; H219-S223 PolarHBondContact O-N 3.42Å; H219-S223 PolarHBondContact O-OG 3.21Å; F220-S223 PolarHBondContact O-N 2.68Å; W221-S223 VanDerWaalsContact C-N 3.29Å; W221-S223 PolarHBondContact O-N 3.43Å; S223-G227 PolarHBondContact O-N 2.91Å |
| 224 | M | 89 | Confident | 88.8 | Confident | 47 Ų | 47 | 53.2 Ų | 53.2 | 23% | 0.232 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -45.5 | 176.5 | -73.3 | -165 | -58.9 | 0 | 0 | 112.1 | F220 W221 S226 G227 L228 | F220-M224 HydrophobicContact CD1-CE 3.52Å; F220-M224 HydrophobicContact CD1-SD 4.26Å; F220-M224 HydrophobicContact CE1-CE 3.1Å; F220-M224 HydrophobicContact CE1-CG 4.46Å; F220-M224 HydrophobicContact CE1-SD 3.53Å; F220-M224 VanDerWaalsContact CE1-SD 3.53Å; F220-M224 HydrophobicContact CE2-CG 4.48Å; F220-M224 HydrophobicContact CE2-SD 4.13Å; F220-M224 HydrophobicContact CG-CE 4.43Å; F220-M224 HydrophobicContact CZ-CE 3.73Å; F220-M224 HydrophobicContact CZ-CG 4.32Å; F220-M224 HydrophobicContact CZ-SD 3.44Å; F220-M224 WeakPolarHBondContact CZ-SD 2.78Å; F220-M224 WeakPolarHBondContact O-CG 3.46Å; F220-M224 PolarHBondContact O-N 3.4Å; W221-M224 HydrophobicContact CD2-CE 3.43Å; W221-M224 VanDerWaalsContact CD2-CE 3.43Å; W221-M224 HydrophobicContact CE3-CE 3.01Å; W221-M224 HydrophobicContact CG-CE 4.21Å; W221-M224 HydrophobicContact CH2-CE 3.65Å; W221-M224 HydrophobicContact CZ2-CE 4.05Å; W221-M224 HydrophobicContact CZ3-CE 3.13Å; W221-M224 PolarHBondContact O-N 3.48Å; M224-S226 VanDerWaalsContact C-N 3.32Å; M224-S226 PolarHBondContact O-N 2.77Å; M224-G227 PolarHBondContact O-N 3.31Å; M224-L228 WeakPolarHBondContact O-CB 3.42Å; M224-L228 PolarHBondContact O-N 3.44Å |
| 225 | I | 91 | Very high | 89.6 | Confident | 78 Ų | 78 | 48.8 Ų | 48.8 | 40% | 0.4 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.1 | -64.2 | 166.1 | 0 | 0 | 0 | 109.8 | S202 W221 L228 A229 | S202-I225 WeakPolarHBondContact OG-CG2 3.35Å; W221-I225 WeakPolarHBondContact O-CG1 3.15Å; W221-I225 PolarHBondContact O-N 2.9Å; I225-L228 PolarHBondContact O-N 2.96Å; I225-A229 WeakPolarHBondContact O-CB 3Å; I225-A229 PolarHBondContact O-N 3.45Å |
| 226 | S | 92 | Very high | 90.3 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 177 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | Q195 T198 A222 M224 L228 A229 T230 | Q195-S226 PolarHBondContact O-OG 3.41Å; T198-S226 WeakPolarHBondContact OG1-CA 3.4Å; T198-S226 WeakPolarHBondContact OG1-CB 3.34Å; T198-S226 PolarHBondContact OG1-OG 2.92Å; A222-S226 VanDerWaalsContact O-CB 3.22Å; A222-S226 WeakPolarHBondContact O-CB 3.27Å; A222-S226 PolarHBondContact O-N 3.11Å; M224-S226 VanDerWaalsContact C-N 3.32Å; M224-S226 PolarHBondContact O-N 2.77Å; S226-L228 VanDerWaalsContact C-N 3.33Å; S226-L228 PolarHBondContact O-N 3.3Å; S226-A229 PolarHBondContact O-N 2.99Å; S226-T230 WeakPolarHBondContact O-CB 3.42Å; S226-T230 PolarHBondContact O-N 3.05Å; S226-T230 PolarHBondContact O-OG1 3.44Å |
| 227 | G | 91.8 | Very high | 90.9 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S223 M224 T231 | S223-G227 PolarHBondContact O-N 2.91Å; M224-G227 PolarHBondContact O-N 3.31Å; G227-T231 WeakPolarHBondContact O-CB 3.42Å; G227-T231 PolarHBondContact O-N 3.47Å; G227-T231 PolarHBondContact O-OG1 2.94Å |
| 228 | L | 93.5 | Very high | 91.4 | Very high | 78 Ų | 78 | 36.8 Ų | 36.8 | 41% | 0.408 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.4 | -52.4 | 175.5 | -173.3 | 73 | 0 | 0 | 0 | 110.6 | M224 I225 S226 T230 T231 V232 F279 Y283 | M224-L228 WeakPolarHBondContact O-CB 3.42Å; M224-L228 PolarHBondContact O-N 3.44Å; I225-L228 PolarHBondContact O-N 2.96Å; S226-L228 VanDerWaalsContact C-N 3.33Å; S226-L228 PolarHBondContact O-N 3.3Å; L228-T230 VanDerWaalsContact C-N 3.34Å; L228-T230 PolarHBondContact O-N 3.31Å; L228-T231 WeakPolarHBondContact O-CB 3.47Å; L228-T231 PolarHBondContact O-N 2.84Å; L228-T231 VanDerWaalsContact O-N 3.11Å; L228-V232 WeakPolarHBondContact O-CG2 3.37Å; L228-V232 PolarHBondContact O-N 3.43Å; L228-F279 HydrophobicContact CD1-CE1 4.23Å; L228-F279 HydrophobicContact CD1-CZ 3.64Å; L228-Y283 HydrophobicContact CB-CE2 4.07Å; L228-Y283 HydrophobicContact CD1-CD2 4.31Å; L228-Y283 HydrophobicContact CD1-CE2 4.07Å |
| 229 | A | 94.1 | Very high | 91.9 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 22% | 0.223 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T194 T198 I225 S226 T231 V232 T233 | T194-A229 HydrophobicContact CG2-CB 4.18Å; T198-A229 HydrophobicContact CG2-CB 3.62Å; I225-A229 WeakPolarHBondContact O-CB 3Å; I225-A229 PolarHBondContact O-N 3.45Å; S226-A229 PolarHBondContact O-N 2.99Å; A229-T231 VanDerWaalsContact C-N 3.27Å; A229-T231 PolarHBondContact O-N 3.3Å; A229-V232 PolarHBondContact O-N 2.91Å; A229-T233 WeakPolarHBondContact O-CG2 3.44Å; A229-T233 PolarHBondContact O-N 3.39Å; A229-T233 PolarHBondContact O-OG1 2.77Å |
| 230 | T | 93.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | 175.2 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | V191 S226 L228 T233 S234 | V191-T230 HydrophobicContact CB-CG2 4.23Å; V191-T230 HydrophobicContact CG1-CG2 3.87Å; V191-T230 HydrophobicContact CG2-CG2 4.09Å; S226-T230 WeakPolarHBondContact O-CB 3.42Å; S226-T230 PolarHBondContact O-N 3.05Å; S226-T230 PolarHBondContact O-OG1 3.44Å; L228-T230 VanDerWaalsContact C-N 3.34Å; L228-T230 PolarHBondContact O-N 3.31Å; T230-T233 PolarHBondContact O-OG1 3.06Å; T230-S234 WeakPolarHBondContact O-CB 3.23Å; T230-S234 PolarHBondContact O-N 3.26Å; T230-S234 PolarHBondContact O-OG 2.96Å |
| 231 | T | 93.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -50.6 | 175.5 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | G227 L228 A229 T233 S234 M235 F279 Y282 | G227-T231 WeakPolarHBondContact O-CB 3.42Å; G227-T231 PolarHBondContact O-N 3.47Å; G227-T231 PolarHBondContact O-OG1 2.94Å; L228-T231 WeakPolarHBondContact O-CB 3.47Å; L228-T231 PolarHBondContact O-N 2.84Å; L228-T231 VanDerWaalsContact O-N 3.11Å; A229-T231 VanDerWaalsContact C-N 3.27Å; A229-T231 PolarHBondContact O-N 3.3Å; T231-T233 VanDerWaalsContact C-N 3.32Å; T231-T233 PolarHBondContact O-N 3.16Å; T231-S234 PolarHBondContact O-N 3Å; T231-M235 HydrophobicContact CG2-CG 3.78Å; T231-M235 HydrophobicContact CG2-SD 4.27Å; T231-M235 WeakPolarHBondContact O-CB 3.31Å; T231-M235 WeakPolarHBondContact O-CG 3.4Å; T231-M235 PolarHBondContact O-N 3.05Å; T231-F279 HydrophobicContact CG2-CD2 3.59Å; T231-F279 HydrophobicContact CG2-CE2 3.45Å; T231-F279 VanDerWaalsContact CG2-CE2 3.45Å; T231-F279 HydrophobicContact CG2-CG 4.33Å; T231-F279 HydrophobicContact CG2-CZ 4.09Å; T231-Y282 HydrophobicContact CG2-CD1 3.46Å; T231-Y282 VanDerWaalsContact CG2-CD1 3.46Å; T231-Y282 HydrophobicContact CG2-CE1 4.01Å; T231-Y282 HydrophobicContact CG2-CG 4.43Å |
| 232 | V | 94.7 | Very high | 93 | Very high | 62 Ų | 62 | 22.8 Ų | 22.8 | 38% | 0.376 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -56.5 | -44.3 | -179.8 | 173 | 0 | 0 | 0 | 0 | 111.7 | L228 A229 P236 W276 F279 | L228-V232 WeakPolarHBondContact O-CG2 3.37Å; L228-V232 PolarHBondContact O-N 3.43Å; A229-V232 PolarHBondContact O-N 2.91Å; V232-P236 WeakPolarHBondContact O-CD 3.07Å; V232-W276 PolarHBondContact O-NE1 3.14Å; V232-F279 HydrophobicContact CG2-CE2 3.77Å; V232-F279 HydrophobicContact CG2-CZ 4.27Å |
| 233 | T | 94.4 | Very high | 93.2 | Very high | 60 Ų | 60 | 23.2 Ų | 23.2 | 37% | 0.368 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -78.2 | -33.9 | -177.5 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | T194 A229 T230 T231 | T194-T233 WeakPolarHBondContact CB-OG1 3.2Å; T194-T233 HydrophobicContact CG2-CG2 3.99Å; T194-T233 WeakPolarHBondContact CG2-OG1 3.22Å; T194-T233 PolarHBondContact OG1-OG1 3.42Å; A229-T233 WeakPolarHBondContact O-CG2 3.44Å; A229-T233 PolarHBondContact O-N 3.39Å; A229-T233 PolarHBondContact O-OG1 2.77Å; T230-T233 PolarHBondContact O-OG1 3.06Å; T231-T233 VanDerWaalsContact C-N 3.32Å; T231-T233 PolarHBondContact O-N 3.16Å |
| 234 | S | 93.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -84.9 | -25 | -176.1 | 66.1 | 0 | 0 | 0 | 0 | 114.1 | T230 T231 V237 D238 Y282 | T230-S234 WeakPolarHBondContact O-CB 3.23Å; T230-S234 PolarHBondContact O-N 3.26Å; T230-S234 PolarHBondContact O-OG 2.96Å; T231-S234 PolarHBondContact O-N 3Å; S234-V237 PolarHBondContact O-N 3.46Å; S234-D238 WeakPolarHBondContact O-CB 3.26Å; S234-D238 PolarHBondContact O-N 3.12Å; S234-Y282 PolarHBondContact OG-OH 3.44Å |
| 235 | M | 93.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.4 | -44.7 | -177.4 | -78.6 | -122.1 | 75.9 | 0 | 0 | 114.4 | T231 V237 D238 M239 L275 W276 K277 F279 | T231-M235 HydrophobicContact CG2-CG 3.78Å; T231-M235 HydrophobicContact CG2-SD 4.27Å; T231-M235 WeakPolarHBondContact O-CB 3.31Å; T231-M235 WeakPolarHBondContact O-CG 3.4Å; T231-M235 PolarHBondContact O-N 3.05Å; M235-V237 VanDerWaalsContact C-N 3.33Å; M235-V237 PolarHBondContact O-N 2.97Å; M235-D238 CarbonylContact O-C 3.57Å; M235-D238 PolarHBondContact O-N 3.19Å; M235-M239 PolarHBondContact O-N 3.15Å; M235-L275 CarbonylContact C-O 3.52Å; M235-W276 HydrophobicContact CB-CG 4.3Å; M235-K277 WeakPolarHBondContact CE-O 3.38Å; M235-F279 HydrophobicContact CG-CD2 4.4Å; M235-F279 WeakPolarHBondContact SD-CA 3.37Å; M235-F279 HydrophobicContact SD-CB 3.84Å; M235-F279 HydrophobicContact SD-CD2 4Å; M235-F279 HydrophobicContact SD-CG 4.37Å |
| 236 | P | 95.3 | Very high | 93.6 | Very high | 21 Ų | 21 | 15.3 Ų | 15.3 | 14% | 0.136 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 177.8 | -27.1 | 36.6 | 0 | 0 | 0 | 113.3 | V232 D238 M239 A240 W263 L275 W276 | V232-P236 WeakPolarHBondContact O-CD 3.07Å; P236-D238 VanDerWaalsContact C-N 3.33Å; P236-M239 PolarHBondContact O-N 3.35Å; P236-A240 PolarHBondContact O-N 3.13Å; P236-W263 PolarHBondContact O-NE1 3.36Å; P236-L275 HydrophobicContact CB-CB 4.24Å; P236-L275 HydrophobicContact CB-CD1 4.31Å; P236-L275 HydrophobicContact CG-CB 4.31Å; P236-W276 HydrophobicContact CG-CH2 4.44Å; P236-W276 HydrophobicContact CG-CZ2 3.84Å |
| 237 | V | 94.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 15.5 Ų | 15.5 | 8% | 0.079 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 177.2 | -171.4 | 0 | 0 | 0 | 0 | 110.5 | P183 I186 R187 V190 S234 M235 A240 K241 W263 | P183-V237 HydrophobicContact CB-CG1 4.34Å; P183-V237 VanDerWaalsContact O-CG1 3.31Å; P183-V237 WeakPolarHBondContact O-CG1 3.35Å; I186-V237 HydrophobicContact CB-CG1 4.11Å; I186-V237 HydrophobicContact CG2-CG1 3.88Å; I186-V237 HydrophobicContact CG2-CG2 4.3Å; R187-V237 HydrophobicContact CB-CB 4.31Å; R187-V237 HydrophobicContact CB-CG1 3.81Å; V190-V237 HydrophobicContact CG2-CG2 4.37Å; S234-V237 PolarHBondContact O-N 3.46Å; M235-V237 VanDerWaalsContact C-N 3.33Å; M235-V237 PolarHBondContact O-N 2.97Å; V237-A240 PolarHBondContact O-N 3.29Å; V237-K241 WeakPolarHBondContact O-CB 3.48Å; V237-K241 PolarHBondContact O-N 2.99Å; V237-W263 HydrophobicContact CG2-CZ2 4.44Å |
| 238 | D | 93.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.1 | -35 | 177.6 | -172.7 | 83.7 | 0 | 0 | 0 | 112.3 | K45 Q49 R187 S234 M235 P236 K241 T242 | K45-D238 WeakPolarHBondContact CE-OD2 3.08Å; K45-D238 IonicContact NZ-OD1 3.74Å; K45-D238 PolarHBondContact NZ-OD1 3.44Å; K45-D238 IonicContact NZ-OD2 3.17Å; K45-D238 PolarHBondContact NZ-OD2 2.88Å; Q49-D238 PolarHBondContact NE2-OD2 2.88Å; Q49-D238 PolarHBondContact OE1-OD2 2.94Å; R187-D238 WeakPolarHBondContact CD-OD1 3.41Å; R187-D238 HydrophobicContact CG-CB 4.42Å; S234-D238 WeakPolarHBondContact O-CB 3.26Å; S234-D238 PolarHBondContact O-N 3.12Å; M235-D238 CarbonylContact O-C 3.57Å; M235-D238 PolarHBondContact O-N 3.19Å; P236-D238 VanDerWaalsContact C-N 3.33Å; D238-K241 WeakPolarHBondContact O-CB 3.26Å; D238-K241 PolarHBondContact O-N 2.99Å; D238-K241 IonicContact OD1-NZ 3.7Å; D238-T242 WeakPolarHBondContact O-CB 3.24Å; D238-T242 PolarHBondContact O-N 3.42Å; D238-T242 PolarHBondContact O-OG1 3.29Å |
| 239 | M | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.1 | -50.9 | 169.6 | 176 | 59.8 | 82.9 | 0 | 0 | 111.4 | Q49 M235 P236 K241 T242 Q243 A274 L275 K277 | Q49-M239 HydrophobicContact CB-CE 3.98Å; Q49-M239 HydrophobicContact CB-SD 3.96Å; Q49-M239 HydrophobicContact CG-CE 3.88Å; Q49-M239 HydrophobicContact CG-SD 4.23Å; M235-M239 PolarHBondContact O-N 3.15Å; P236-M239 PolarHBondContact O-N 3.35Å; M239-K241 VanDerWaalsContact C-N 3.31Å; M239-K241 PolarHBondContact O-N 3.3Å; M239-T242 PolarHBondContact O-N 2.76Å; M239-Q243 HydrophobicContact CG-CG 4.48Å; M239-Q243 WeakPolarHBondContact O-CB 3.48Å; M239-Q243 VanDerWaalsContact O-CG 3.23Å; M239-Q243 WeakPolarHBondContact O-CG 3.28Å; M239-Q243 PolarHBondContact O-N 3.12Å; M239-Q243 HydrophobicContact SD-CG 3.86Å; M239-A274 WeakPolarHBondContact CE-O 3.45Å; M239-L275 HydrophobicContact CG-CD2 4.29Å; M239-K277 HydrophobicContact CE-CB 3.88Å |
| 240 | A | 94.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P236 V237 L244 A259 V262 W263 | P236-A240 PolarHBondContact O-N 3.13Å; V237-A240 PolarHBondContact O-N 3.29Å; A240-L244 WeakPolarHBondContact O-CB 3.2Å; A240-L244 VanDerWaalsContact O-CG 3.29Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 3.25Å; A240-A259 HydrophobicContact CB-CB 3.88Å; A240-V262 HydrophobicContact CB-CB 4.48Å; A240-W263 HydrophobicContact CB-CZ2 4.42Å |
| 241 | K | 94.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 2% | 0.022 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.2 | -54 | 175 | 171.6 | -166.9 | 162 | -166.3 | 0 | 111.8 | E138 P183 V237 D238 M239 Q243 L244 Q245 | E138-K241 WeakPolarHBondContact OE1-CE 3.49Å; E138-K241 IonicContact OE1-NZ 2.76Å; E138-K241 PolarHBondContact OE1-NZ 3.31Å; E138-K241 WeakPolarHBondContact OE2-CE 3.29Å; E138-K241 IonicContact OE2-NZ 3.66Å; E138-K241 PolarHBondContact OE2-NZ 2.79Å; P183-K241 HydrophobicContact CB-CB 3.79Å; V237-K241 WeakPolarHBondContact O-CB 3.48Å; V237-K241 PolarHBondContact O-N 2.99Å; D238-K241 WeakPolarHBondContact O-CB 3.26Å; D238-K241 PolarHBondContact O-N 2.99Å; D238-K241 IonicContact OD1-NZ 3.7Å; M239-K241 VanDerWaalsContact C-N 3.31Å; M239-K241 PolarHBondContact O-N 3.3Å; K241-Q243 VanDerWaalsContact C-N 3.32Å; K241-Q243 PolarHBondContact O-N 3.41Å; K241-L244 PolarHBondContact O-N 2.91Å; K241-Q245 WeakPolarHBondContact O-CB 3.4Å; K241-Q245 PolarHBondContact O-N 3.3Å |
| 242 | T | 94.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | -176 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | Q49 L50 I142 D238 M239 N246 | Q49-T242 HydrophobicContact CB-CG2 3.96Å; Q49-T242 VanDerWaalsContact OE1-CB 3.3Å; Q49-T242 PolarHBondContact OE1-OG1 2.64Å; L50-T242 HydrophobicContact CD1-CG2 4.13Å; L50-T242 HydrophobicContact CD2-CG2 3.73Å; L50-T242 HydrophobicContact CG-CG2 3.72Å; I142-T242 HydrophobicContact CD1-CG2 4.14Å; I142-T242 HydrophobicContact CG2-CG2 4.03Å; D238-T242 WeakPolarHBondContact O-CB 3.24Å; D238-T242 PolarHBondContact O-N 3.42Å; D238-T242 PolarHBondContact O-OG1 3.29Å; M239-T242 PolarHBondContact O-N 2.76Å; T242-N246 VanDerWaalsContact O-CB 3.31Å; T242-N246 WeakPolarHBondContact O-CB 3.21Å; T242-N246 PolarHBondContact O-N 2.94Å |
| 243 | Q | 93.2 | Very high | 86.5 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -47.9 | 176 | -67.5 | -70.1 | -2.2 | 0 | 0 | 111.6 | Q49 M239 K241 Q245 N246 M247 F256 V262 | Q49-Q243 PolarHBondContact O-NE2 3.48Å; M239-Q243 HydrophobicContact CG-CG 4.48Å; M239-Q243 WeakPolarHBondContact O-CB 3.48Å; M239-Q243 VanDerWaalsContact O-CG 3.23Å; M239-Q243 WeakPolarHBondContact O-CG 3.28Å; M239-Q243 PolarHBondContact O-N 3.12Å; M239-Q243 HydrophobicContact SD-CG 3.86Å; K241-Q243 VanDerWaalsContact C-N 3.32Å; K241-Q243 PolarHBondContact O-N 3.41Å; Q243-Q245 PolarHBondContact O-N 2.85Å; Q243-N246 PolarHBondContact O-N 3.33Å; Q243-M247 WeakPolarHBondContact O-CA 3.33Å; Q243-M247 WeakPolarHBondContact O-CB 3.28Å; Q243-M247 PolarHBondContact O-N 2.88Å; Q243-F256 HydrophobicContact CB-CE2 4.32Å; Q243-V262 HydrophobicContact CB-CG1 3.62Å; Q243-V262 HydrophobicContact CB-CG2 4.02Å; Q243-V262 HydrophobicContact CG-CG1 3.68Å |
| 244 | L | 92.8 | Very high | 85.9 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 178.5 | -71 | 170.6 | 0 | 0 | 0 | 112.8 | R179 P183 A240 K241 N246 M247 F256 A259 V262 | R179-L244 WeakPolarHBondContact CD-O 3.39Å; R179-L244 VanDerWaalsContact CG-O 3.28Å; R179-L244 WeakPolarHBondContact CG-O 3.18Å; P183-L244 HydrophobicContact CG-CD1 3.88Å; A240-L244 WeakPolarHBondContact O-CB 3.2Å; A240-L244 VanDerWaalsContact O-CG 3.29Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 3.25Å; K241-L244 PolarHBondContact O-N 2.91Å; L244-N246 VanDerWaalsContact C-N 3.34Å; L244-M247 WeakPolarHBondContact O-CB 3.17Å; L244-M247 PolarHBondContact O-N 3.41Å; L244-F256 HydrophobicContact CD2-CB 3.86Å; L244-A259 HydrophobicContact CD1-CB 4.26Å; L244-V262 HydrophobicContact CD2-CG2 3.98Å; L244-V262 HydrophobicContact CG-CG2 3.92Å |
| 245 | Q | 92.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69 | -33.4 | 179.4 | -80.7 | 175 | -21.7 | 0 | 0 | 112.1 | E138 L139 I142 R143 R179 T184 K241 Q243 | E138-Q245 PolarHBondContact OE2-NE2 3.41Å; L139-Q245 HydrophobicContact CB-CG 4.4Å; I142-Q245 HydrophobicContact CB-CB 4.37Å; I142-Q245 HydrophobicContact CD1-CB 3.96Å; I142-Q245 HydrophobicContact CG2-CB 4.36Å; R143-Q245 PolarHBondContact NE-O 3.4Å; R143-Q245 VanDerWaalsContact NE-O 3.12Å; R179-Q245 WeakPolarHBondContact O-CG 3.39Å; T184-Q245 PolarHBondContact OG1-NE2 2.93Å; K241-Q245 WeakPolarHBondContact O-CB 3.4Å; K241-Q245 PolarHBondContact O-N 3.3Å; Q243-Q245 PolarHBondContact O-N 2.85Å |
| 246 | N | 91.7 | Very high | 85 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -83.8 | -21.9 | 176 | -173.7 | 51.8 | 0 | 0 | 0 | 114.1 | L50 I142 A146 R149 R156 T242 Q243 L244 Q248 | L50-N246 HydrophobicContact CD1-CB 3.88Å; L50-N246 HydrophobicContact CD2-CB 3.61Å; L50-N246 HydrophobicContact CG-CB 4.41Å; I142-N246 HydrophobicContact CG2-CB 3.79Å; A146-N246 VanDerWaalsContact CB-OD1 3.29Å; A146-N246 WeakPolarHBondContact CB-OD1 3.4Å; R149-N246 PolarHBondContact NH2-ND2 3.18Å; R156-N246 PolarHBondContact NH1-OD1 2.94Å; R156-N246 PolarHBondContact NH2-O 3.38Å; T242-N246 VanDerWaalsContact O-CB 3.31Å; T242-N246 WeakPolarHBondContact O-CB 3.21Å; T242-N246 PolarHBondContact O-N 2.94Å; Q243-N246 PolarHBondContact O-N 3.33Å; L244-N246 VanDerWaalsContact C-N 3.34Å; N246-Q248 PolarHBondContact O-N 2.92Å |
| 247 | M | 86 | Confident | 84.5 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.034 | 26% | 0.255 | C | S | . | . | trans | -45.9 | 133.9 | -174.2 | -179.3 | 176.4 | 86 | 0 | 0 | 112.6 | R143 R179 Q243 L244 P254 E255 F256 | R143-M247 PolarHBondContact NH2-O 2.97Å; R179-M247 PolarHBondContact NH1-O 3.3Å; Q243-M247 WeakPolarHBondContact O-CA 3.33Å; Q243-M247 WeakPolarHBondContact O-CB 3.28Å; Q243-M247 PolarHBondContact O-N 2.88Å; L244-M247 WeakPolarHBondContact O-CB 3.17Å; L244-M247 PolarHBondContact O-N 3.41Å; M247-P254 HydrophobicContact CE-CB 3.23Å; M247-P254 HydrophobicContact SD-CB 3.82Å; M247-E255 HydrophobicContact CG-CB 3.63Å; M247-E255 HydrophobicContact SD-CB 3.96Å; M247-E255 PolarHBondContact SD-N 3.38Å; M247-E255 VanDerWaalsContact SD-N 3.44Å; M247-F256 HydrophobicContact CB-CD2 4.49Å; M247-F256 HydrophobicContact CG-CD2 4.26Å; M247-F256 HydrophobicContact SD-CB 3.78Å; M247-F256 HydrophobicContact SD-CD2 4.03Å; M247-F256 HydrophobicContact SD-CG 4.39Å; M247-F256 PolarHBondContact SD-N 3.23Å | ||
| 248 | Q | 76.6 | Confident | 84.2 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | trans | -96.5 | 150.1 | 169 | -67.7 | -179.3 | -7.1 | 0 | 0 | 109.8 | R156 N246 I250 | R156-Q248 VanDerWaalsContact NH2-CG 3.33Å; N246-Q248 PolarHBondContact O-N 2.92Å; Q248-I250 HydrophobicContact CB-CG1 4.38Å | ||
| 249 | T | 70 | Confident | 84.1 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 108.1 | 168.8 | -50.8 | 0 | 0 | 0 | 0 | 106.7 | G252 | T249-G252 VanDerWaalsContact CG2-C 3.43Å |
| 250 | I | 65.6 | Low | 84.1 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.2 | 179.3 | -56.5 | 174.1 | 0 | 0 | 0 | 106.7 | Q248 G252 R253 | Q248-I250 HydrophobicContact CB-CG1 4.38Å; I250-G252 VanDerWaalsContact C-N 3.26Å; I250-G252 PolarHBondContact O-N 3.12Å; I250-R253 PolarHBondContact N-O 3.33Å; I250-R253 PolarHBondContact O-N 3.25Å |
| 251 | D | 64.1 | Low | 84 | Confident | 154 Ų | 154 | 60.4 Ų | 60.4 | 82% | 0.824 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 39.1 | -179.4 | -54 | -36.2 | 0 | 0 | 0 | 114.1 | R253 | D251-R253 PolarHBondContact O-N 2.92Å; D251-R253 VanDerWaalsContact O-N 3.11Å |
| 252 | G | 68.3 | Low | 83.9 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | -0.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T249 I250 | T249-G252 VanDerWaalsContact CG2-C 3.43Å; I250-G252 VanDerWaalsContact C-N 3.26Å; I250-G252 PolarHBondContact O-N 3.12Å |
| 253 | R | 73.6 | Confident | 83.9 | Confident | 197 Ų | 197 | 63.8 Ų | 63.8 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.8 | 178.9 | -64.6 | -176.7 | -178 | -172.4 | 1.5 | 110.9 | I250 D251 | I250-R253 PolarHBondContact N-O 3.33Å; I250-R253 PolarHBondContact O-N 3.25Å; D251-R253 PolarHBondContact O-N 2.92Å; D251-R253 VanDerWaalsContact O-N 3.11Å |
| 254 | P | 80.6 | Confident | 84 | Confident | 64 Ų | 64 | 66.6 Ų | 66.6 | 42% | 0.416 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 135.3 | 172.4 | 27.6 | -32.8 | 0 | 0 | 0 | 110 | M247 F256 | M247-P254 HydrophobicContact CE-CB 3.23Å; M247-P254 HydrophobicContact SD-CB 3.82Å; P254-F256 PolarHBondContact O-N 2.79Å |
| 255 | E | 83.2 | Confident | 83.9 | Confident | 60 Ų | 60 | 69.3 Ų | 69.3 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -55.4 | -33.6 | 176.2 | -163.8 | -173.1 | 160.5 | 0 | 0 | 112.4 | M247 K265 | M247-E255 HydrophobicContact CG-CB 3.63Å; M247-E255 HydrophobicContact SD-CB 3.96Å; M247-E255 PolarHBondContact SD-N 3.38Å; M247-E255 VanDerWaalsContact SD-N 3.44Å; E255-K265 PolarHBondContact O-NZ 3.01Å |
| 256 | F | 86 | Confident | 83.8 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 6% | 0.057 | 36% | 0.357 | C | S | . | . | trans | -132.4 | 133.8 | 179.8 | -57.6 | -76.9 | 0 | 0 | 0 | 110.8 | Q243 L244 M247 P254 D261 V262 K265 | Q243-F256 HydrophobicContact CB-CE2 4.32Å; L244-F256 HydrophobicContact CD2-CB 3.86Å; M247-F256 HydrophobicContact CB-CD2 4.49Å; M247-F256 HydrophobicContact CG-CD2 4.26Å; M247-F256 HydrophobicContact SD-CB 3.78Å; M247-F256 HydrophobicContact SD-CD2 4.03Å; M247-F256 HydrophobicContact SD-CG 4.39Å; M247-F256 PolarHBondContact SD-N 3.23Å; P254-F256 PolarHBondContact O-N 2.79Å; F256-D261 WeakPolarHBondContact CA-OD2 3.39Å; F256-V262 HydrophobicContact CB-CG2 3.71Å; F256-V262 HydrophobicContact CD1-CB 4.14Å; F256-V262 HydrophobicContact CD1-CG2 3.61Å; F256-V262 HydrophobicContact CD2-CG2 4.07Å; F256-V262 HydrophobicContact CE1-CB 4.47Å; F256-V262 HydrophobicContact CE1-CG2 4.23Å; F256-V262 HydrophobicContact CG-CG2 3.52Å; F256-K265 HydrophobicContact CD1-CD 3.65Å; F256-K265 HydrophobicContact CE1-CB 3.97Å; F256-K265 HydrophobicContact CE1-CD 3.58Å; F256-K265 HydrophobicContact CE1-CG 4.43Å | ||
| 257 | R | 85.1 | Confident | 83.9 | Confident | 226 Ų | 226 | 72.6 Ų | 72.6 | 85% | 0.853 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -83.6 | -32 | 178.4 | -63.7 | -176.9 | 179.9 | -173.2 | 0 | 113.1 | D261 | R257-D261 HydrophobicContact CB-CB 4.44Å; R257-D261 PolarHBondContact N-OD2 3.29Å |
| 258 | S | 88.7 | Confident | 84.1 | Confident | 52 Ų | 52 | 80.6 Ų | 80.6 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -159.6 | 171 | -174.3 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | L260 D261 V262 | S258-L260 PolarHBondContact O-N 2.8Å; S258-L260 PolarHBondContact OG-N 2.76Å; S258-D261 WeakPolarHBondContact O-CB 3.45Å; S258-D261 PolarHBondContact O-N 2.7Å; S258-D261 VanDerWaalsContact O-N 3.15Å; S258-D261 PolarHBondContact OG-N 3.13Å; S258-V262 PolarHBondContact O-N 3.02Å |
| 259 | A | 91 | Very high | 84.6 | Confident | 25 Ų | 25 | 84.1 Ų | 84.1 | 21% | 0.207 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.3 | -34.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P183 A240 L244 V262 W263 | P183-A259 HydrophobicContact CG-CB 3.82Å; A240-A259 HydrophobicContact CB-CB 3.88Å; L244-A259 HydrophobicContact CD1-CB 4.26Å; A259-V262 WeakPolarHBondContact O-CB 3.04Å; A259-V262 PolarHBondContact O-N 2.74Å; A259-W263 PolarHBondContact O-N 3.19Å |
| 260 | L | 93.8 | Very high | 85.4 | Confident | 114 Ų | 114 | 81.7 Ų | 81.7 | 60% | 0.597 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.3 | -37.3 | 176.4 | -61.4 | 179.6 | 0 | 0 | 0 | 111.8 | S258 W263 T264 | S258-L260 PolarHBondContact O-N 2.8Å; S258-L260 PolarHBondContact OG-N 2.76Å; L260-W263 HydrophobicContact CD2-CE3 3.69Å; L260-W263 HydrophobicContact CD2-CZ3 3.68Å; L260-W263 PolarHBondContact O-N 2.84Å; L260-T264 WeakPolarHBondContact O-CB 3.14Å; L260-T264 PolarHBondContact O-N 2.8Å; L260-T264 PolarHBondContact O-OG1 3.32Å |
| 261 | D | 92.8 | Very high | 86.5 | Confident | 34 Ų | 34 | 78.8 Ų | 78.8 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 174.6 | -173 | 34.1 | 0 | 0 | 0 | 111 | F256 R257 S258 T264 K265 | F256-D261 WeakPolarHBondContact CA-OD2 3.39Å; R257-D261 HydrophobicContact CB-CB 4.44Å; R257-D261 PolarHBondContact N-OD2 3.29Å; S258-D261 WeakPolarHBondContact O-CB 3.45Å; S258-D261 PolarHBondContact O-N 2.7Å; S258-D261 VanDerWaalsContact O-N 3.15Å; S258-D261 PolarHBondContact OG-N 3.13Å; D261-T264 PolarHBondContact O-N 3.03Å; D261-K265 WeakPolarHBondContact O-CB 3.31Å; D261-K265 WeakPolarHBondContact O-CG 3.21Å; D261-K265 PolarHBondContact O-N 3.25Å; D261-K265 WeakPolarHBondContact OD1-CE 3.44Å; D261-K265 IonicContact OD1-NZ 2.78Å; D261-K265 PolarHBondContact OD1-NZ 2.87Å; D261-K265 IonicContact OD2-NZ 3.37Å; D261-K265 PolarHBondContact OD2-NZ 2.98Å |
| 262 | V | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.8 | -54.7 | 171.7 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | A240 Q243 L244 F256 S258 A259 T264 K265 V266 | A240-V262 HydrophobicContact CB-CB 4.48Å; Q243-V262 HydrophobicContact CB-CG1 3.62Å; Q243-V262 HydrophobicContact CB-CG2 4.02Å; Q243-V262 HydrophobicContact CG-CG1 3.68Å; L244-V262 HydrophobicContact CD2-CG2 3.98Å; L244-V262 HydrophobicContact CG-CG2 3.92Å; F256-V262 HydrophobicContact CB-CG2 3.71Å; F256-V262 HydrophobicContact CD1-CB 4.14Å; F256-V262 HydrophobicContact CD1-CG2 3.61Å; F256-V262 HydrophobicContact CD2-CG2 4.07Å; F256-V262 HydrophobicContact CE1-CB 4.47Å; F256-V262 HydrophobicContact CE1-CG2 4.23Å; F256-V262 HydrophobicContact CG-CG2 3.52Å; S258-V262 PolarHBondContact O-N 3.02Å; A259-V262 WeakPolarHBondContact O-CB 3.04Å; A259-V262 PolarHBondContact O-N 2.74Å; V262-T264 VanDerWaalsContact C-N 3.32Å; V262-T264 PolarHBondContact O-N 3.39Å; V262-K265 PolarHBondContact O-N 3.4Å; V262-V266 HydrophobicContact CG1-CG2 3.91Å; V262-V266 VanDerWaalsContact O-CB 3.3Å; V262-V266 WeakPolarHBondContact O-CB 3.4Å; V262-V266 WeakPolarHBondContact O-CG2 3.46Å; V262-V266 PolarHBondContact O-N 2.9Å |
| 263 | W | 93.6 | Very high | 88.8 | Confident | 76 Ų | 76 | 79.3 Ų | 79.3 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | -179.3 | -69.6 | -24 | 0 | 0 | 0 | 111.9 | P236 V237 A240 A259 L260 K265 V266 I267 L275 | P236-W263 PolarHBondContact O-NE1 3.36Å; V237-W263 HydrophobicContact CG2-CZ2 4.44Å; A240-W263 HydrophobicContact CB-CZ2 4.42Å; A259-W263 PolarHBondContact O-N 3.19Å; L260-W263 HydrophobicContact CD2-CE3 3.69Å; L260-W263 HydrophobicContact CD2-CZ3 3.68Å; L260-W263 PolarHBondContact O-N 2.84Å; W263-K265 PolarHBondContact O-N 3.08Å; W263-V266 PolarHBondContact O-N 3.49Å; W263-I267 HydrophobicContact CB-CD1 4.3Å; W263-I267 VanDerWaalsContact O-CB 3.26Å; W263-I267 WeakPolarHBondContact O-CB 3.36Å; W263-I267 WeakPolarHBondContact O-CD1 3.39Å; W263-I267 WeakPolarHBondContact O-CG1 3.43Å; W263-I267 PolarHBondContact O-N 3.38Å; W263-L275 HydrophobicContact CG-CD2 4.28Å |
| 264 | T | 94.4 | Very high | 89.5 | Confident | 67 Ų | 67 | 70 Ų | 70 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 180 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | L260 D261 V262 K268 | L260-T264 WeakPolarHBondContact O-CB 3.14Å; L260-T264 PolarHBondContact O-N 2.8Å; L260-T264 PolarHBondContact O-OG1 3.32Å; D261-T264 PolarHBondContact O-N 3.03Å; V262-T264 VanDerWaalsContact C-N 3.32Å; V262-T264 PolarHBondContact O-N 3.39Å; T264-K268 HydrophobicContact CG2-CD 4.1Å; T264-K268 VanDerWaalsContact O-CB 3.28Å; T264-K268 WeakPolarHBondContact O-CB 3.42Å; T264-K268 WeakPolarHBondContact O-CG 3.29Å; T264-K268 PolarHBondContact O-N 3.07Å |
| 265 | K | 91.8 | Very high | 90.1 | Very high | 74 Ų | 74 | 67.5 Ų | 67.5 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.9 | -44 | 179.3 | -76.7 | 169 | 174 | 164.7 | 0 | 112.4 | E255 F256 D261 V262 W263 K268 K269 | E255-K265 PolarHBondContact O-NZ 3.01Å; F256-K265 HydrophobicContact CD1-CD 3.65Å; F256-K265 HydrophobicContact CE1-CB 3.97Å; F256-K265 HydrophobicContact CE1-CD 3.58Å; F256-K265 HydrophobicContact CE1-CG 4.43Å; D261-K265 WeakPolarHBondContact O-CB 3.31Å; D261-K265 WeakPolarHBondContact O-CG 3.21Å; D261-K265 PolarHBondContact O-N 3.25Å; D261-K265 WeakPolarHBondContact OD1-CE 3.44Å; D261-K265 IonicContact OD1-NZ 2.78Å; D261-K265 PolarHBondContact OD1-NZ 2.87Å; D261-K265 IonicContact OD2-NZ 3.37Å; D261-K265 PolarHBondContact OD2-NZ 2.98Å; V262-K265 PolarHBondContact O-N 3.4Å; W263-K265 PolarHBondContact O-N 3.08Å; K265-K268 PolarHBondContact O-N 3.19Å; K265-K269 WeakPolarHBondContact O-CB 3.31Å; K265-K269 WeakPolarHBondContact O-CG 3.3Å; K265-K269 PolarHBondContact O-N 3.01Å |
| 266 | V | 90.9 | Very high | 90.6 | Very high | 6 Ų | 6 | 68.3 Ų | 68.3 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 178.8 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | V262 W263 K268 K269 E270 A274 L275 | V262-V266 HydrophobicContact CG1-CG2 3.91Å; V262-V266 VanDerWaalsContact O-CB 3.3Å; V262-V266 WeakPolarHBondContact O-CB 3.4Å; V262-V266 WeakPolarHBondContact O-CG2 3.46Å; V262-V266 PolarHBondContact O-N 2.9Å; W263-V266 PolarHBondContact O-N 3.49Å; V266-K268 PolarHBondContact O-N 2.94Å; V266-K269 PolarHBondContact O-N 3Å; V266-E270 VanDerWaalsContact O-CB 3.31Å; V266-E270 WeakPolarHBondContact O-CB 3.36Å; V266-E270 PolarHBondContact O-N 2.95Å; V266-A274 HydrophobicContact CG1-CB 3.61Å; V266-L275 HydrophobicContact CG1-CD2 4.14Å |
| 267 | I | 92.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 34% | 0.338 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 178.5 | -65.9 | 165.2 | 0 | 0 | 0 | 110.5 | W263 G271 L275 | W263-I267 HydrophobicContact CB-CD1 4.3Å; W263-I267 VanDerWaalsContact O-CB 3.26Å; W263-I267 WeakPolarHBondContact O-CB 3.36Å; W263-I267 WeakPolarHBondContact O-CD1 3.39Å; W263-I267 WeakPolarHBondContact O-CG1 3.43Å; W263-I267 PolarHBondContact O-N 3.38Å; I267-G271 WeakPolarHBondContact O-CA 3.35Å; I267-G271 PolarHBondContact O-N 3.33Å; I267-L275 HydrophobicContact CD1-CD1 4.15Å; I267-L275 HydrophobicContact CG1-CD1 4.23Å; I267-L275 HydrophobicContact CG1-CD2 4.41Å; I267-L275 HydrophobicContact CG1-CG 4.35Å |
| 268 | K | 89.8 | Confident | 91 | Very high | 174 Ų | 174 | 58.6 Ų | 58.6 | 76% | 0.757 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 178.5 | -77.4 | -179.7 | 178.6 | -173.7 | 0 | 112.8 | T264 K265 V266 | T264-K268 HydrophobicContact CG2-CD 4.1Å; T264-K268 VanDerWaalsContact O-CB 3.28Å; T264-K268 WeakPolarHBondContact O-CB 3.42Å; T264-K268 WeakPolarHBondContact O-CG 3.29Å; T264-K268 PolarHBondContact O-N 3.07Å; K265-K268 PolarHBondContact O-N 3.19Å; V266-K268 PolarHBondContact O-N 2.94Å |
| 269 | K | 87.9 | Confident | 91.1 | Very high | 137 Ų | 137 | 59 Ų | 59 | 60% | 0.596 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -77.8 | -37.7 | -178.3 | -74.5 | -178.7 | 165.3 | -169.1 | 0 | 113.1 | E52 K265 V266 | E52-K269 IonicContact OE2-NZ 3.53Å; E52-K269 PolarHBondContact OE2-NZ 2.9Å; K265-K269 WeakPolarHBondContact O-CB 3.31Å; K265-K269 WeakPolarHBondContact O-CG 3.3Å; K265-K269 PolarHBondContact O-N 3.01Å; V266-K269 PolarHBondContact O-N 3Å |
| 270 | E | 86.7 | Confident | 91.1 | Very high | 16 Ų | 16 | 61.2 Ų | 61.2 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -123.9 | -10 | -164.2 | -53.8 | -159 | -139.7 | 0 | 0 | 115.3 | K53 V266 A274 K277 | K53-E270 HydrophobicContact CB-CB 4.37Å; K53-E270 HydrophobicContact CB-CG 3.91Å; K53-E270 HydrophobicContact CD-CB 4.07Å; K53-E270 HydrophobicContact CD-CG 4.49Å; K53-E270 WeakPolarHBondContact CG-OE2 3.46Å; K53-E270 PolarHBondContact NZ-O 3Å; V266-E270 VanDerWaalsContact O-CB 3.31Å; V266-E270 WeakPolarHBondContact O-CB 3.36Å; V266-E270 PolarHBondContact O-N 2.95Å; E270-A274 HydrophobicContact CB-CB 3.43Å; E270-A274 VanDerWaalsContact CB-CB 3.43Å; E270-A274 HydrophobicContact CG-CB 4.35Å; E270-K277 IonicContact OE1-NZ 3.53Å; E270-K277 PolarHBondContact OE1-NZ 2.95Å; E270-K277 WeakPolarHBondContact OE2-CE 3.4Å; E270-K277 IonicContact OE2-NZ 3.42Å; E270-K277 PolarHBondContact OE2-NZ 3.14Å |
| 271 | G | 88.6 | Confident | 91.1 | Very high | 32 Ų | 32 | 56 Ų | 56 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | trans | 84.2 | 167.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I267 L273 A274 | I267-G271 WeakPolarHBondContact O-CA 3.35Å; I267-G271 PolarHBondContact O-N 3.33Å; G271-L273 VanDerWaalsContact C-N 3.32Å; G271-L273 PolarHBondContact O-N 2.96Å; G271-A274 WeakPolarHBondContact O-CB 3.04Å; G271-A274 PolarHBondContact O-N 3.17Å; G271-A274 VanDerWaalsContact O-N 3.1Å | ||
| 272 | I | 90.1 | Very high | 91 | Very high | 103 Ų | 103 | 55 Ų | 55 | 53% | 0.528 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -63.8 | -32.9 | -173.1 | -167.3 | 149.5 | 0 | 0 | 0 | 114.2 | A274 L275 W276 | I272-A274 PolarHBondContact O-N 2.9Å; I272-A274 VanDerWaalsContact O-N 3.07Å; I272-L275 HydrophobicContact CG1-CD1 4.41Å; I272-L275 WeakPolarHBondContact O-CG 3.35Å; I272-L275 PolarHBondContact O-N 2.97Å; I272-W276 HydrophobicContact CG1-CZ3 4.12Å; I272-W276 WeakPolarHBondContact O-CZ3 3.31Å |
| 273 | L | 90.4 | Very high | 90.9 | Very high | 130 Ų | 130 | 57.9 Ų | 57.9 | 68% | 0.681 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -64.2 | -14.9 | 177.9 | -64.2 | 179.7 | 0 | 0 | 0 | 113.1 | G271 L275 W276 | G271-L273 VanDerWaalsContact C-N 3.32Å; G271-L273 PolarHBondContact O-N 2.96Å; L273-L275 PolarHBondContact O-N 3.49Å; L273-W276 PolarHBondContact O-N 3.21Å |
| 274 | A | 89.2 | Confident | 90.8 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -62.2 | -29.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M239 V266 E270 G271 I272 W276 K277 | M239-A274 WeakPolarHBondContact CE-O 3.45Å; V266-A274 HydrophobicContact CG1-CB 3.61Å; E270-A274 HydrophobicContact CB-CB 3.43Å; E270-A274 VanDerWaalsContact CB-CB 3.43Å; E270-A274 HydrophobicContact CG-CB 4.35Å; G271-A274 WeakPolarHBondContact O-CB 3.04Å; G271-A274 PolarHBondContact O-N 3.17Å; G271-A274 VanDerWaalsContact O-N 3.1Å; I272-A274 PolarHBondContact O-N 2.9Å; I272-A274 VanDerWaalsContact O-N 3.07Å; A274-W276 PolarHBondContact O-N 3.3Å; A274-W276 VanDerWaalsContact O-N 3.12Å; A274-K277 WeakPolarHBondContact O-CB 3.1Å; A274-K277 WeakPolarHBondContact O-CE 3.15Å; A274-K277 WeakPolarHBondContact O-CG 3.26Å; A274-K277 PolarHBondContact O-N 3.46Å |
| 275 | L | 92.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -61.5 | -20 | 177.3 | -59.1 | -179.6 | 0 | 0 | 0 | 113.4 | M235 P236 M239 W263 V266 I267 I272 L273 | M235-L275 CarbonylContact C-O 3.52Å; P236-L275 HydrophobicContact CB-CB 4.24Å; P236-L275 HydrophobicContact CB-CD1 4.31Å; P236-L275 HydrophobicContact CG-CB 4.31Å; M239-L275 HydrophobicContact CG-CD2 4.29Å; W263-L275 HydrophobicContact CG-CD2 4.28Å; V266-L275 HydrophobicContact CG1-CD2 4.14Å; I267-L275 HydrophobicContact CD1-CD1 4.15Å; I267-L275 HydrophobicContact CG1-CD1 4.23Å; I267-L275 HydrophobicContact CG1-CD2 4.41Å; I267-L275 HydrophobicContact CG1-CG 4.35Å; I272-L275 HydrophobicContact CG1-CD1 4.41Å; I272-L275 WeakPolarHBondContact O-CG 3.35Å; I272-L275 PolarHBondContact O-N 2.97Å; L273-L275 PolarHBondContact O-N 3.49Å |
| 276 | W | 93.4 | Very high | 90.4 | Very high | 77 Ų | 77 | 57 Ų | 57 | 29% | 0.292 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -105.4 | 17.3 | 176.4 | -65.8 | -89 | 0 | 0 | 0 | 113.2 | V232 M235 P236 I272 L273 A274 G278 F279 | V232-W276 PolarHBondContact O-NE1 3.14Å; M235-W276 HydrophobicContact CB-CG 4.3Å; P236-W276 HydrophobicContact CG-CH2 4.44Å; P236-W276 HydrophobicContact CG-CZ2 3.84Å; I272-W276 HydrophobicContact CG1-CZ3 4.12Å; I272-W276 WeakPolarHBondContact O-CZ3 3.31Å; L273-W276 PolarHBondContact O-N 3.21Å; A274-W276 PolarHBondContact O-N 3.3Å; A274-W276 VanDerWaalsContact O-N 3.12Å; W276-G278 PolarHBondContact O-N 2.91Å; W276-F279 VanDerWaalsContact O-CB 3.28Å; W276-F279 WeakPolarHBondContact O-CB 3.48Å; W276-F279 PolarHBondContact O-N 3.06Å |
| 277 | K | 91 | Very high | 90.2 | Very high | 34 Ų | 34 | 58.5 Ų | 58.5 | 15% | 0.148 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 133.5 | 169.6 | -78 | -175.7 | -69.3 | 171.4 | 0 | 109.9 | Q49 T51 M235 M239 E270 A274 | Q49-K277 WeakPolarHBondContact CG-O 3.34Å; T51-K277 PolarHBondContact O-NZ 3.16Å; M235-K277 WeakPolarHBondContact CE-O 3.38Å; M239-K277 HydrophobicContact CE-CB 3.88Å; E270-K277 IonicContact OE1-NZ 3.53Å; E270-K277 PolarHBondContact OE1-NZ 2.95Å; E270-K277 WeakPolarHBondContact OE2-CE 3.4Å; E270-K277 IonicContact OE2-NZ 3.42Å; E270-K277 PolarHBondContact OE2-NZ 3.14Å; A274-K277 WeakPolarHBondContact O-CB 3.1Å; A274-K277 WeakPolarHBondContact O-CE 3.15Å; A274-K277 WeakPolarHBondContact O-CG 3.26Å; A274-K277 PolarHBondContact O-N 3.46Å |
| 278 | G | 89.1 | Confident | 90.1 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 11 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W276 T280 P281 Y282 | W276-G278 PolarHBondContact O-N 2.91Å; G278-T280 PolarHBondContact O-N 3.35Å; G278-P281 VanDerWaalsContact O-CD 3.23Å; G278-P281 WeakPolarHBondContact O-CD 3.28Å; G278-P281 VanDerWaalsContact O-CG 3.26Å; G278-P281 WeakPolarHBondContact O-CG 3.43Å; G278-Y282 VanDerWaalsContact O-CB 3.22Å; G278-Y282 WeakPolarHBondContact O-CB 3.49Å; G278-Y282 PolarHBondContact O-N 3.44Å |
| 279 | F | 91.1 | Very high | 90.2 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 26% | 0.263 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -53.2 | -52.3 | 176.3 | -174.6 | -86.8 | 0 | 0 | 0 | 113.3 | L228 T231 V232 M235 W276 Y282 Y283 | L228-F279 HydrophobicContact CD1-CE1 4.23Å; L228-F279 HydrophobicContact CD1-CZ 3.64Å; T231-F279 HydrophobicContact CG2-CD2 3.59Å; T231-F279 HydrophobicContact CG2-CE2 3.45Å; T231-F279 VanDerWaalsContact CG2-CE2 3.45Å; T231-F279 HydrophobicContact CG2-CG 4.33Å; T231-F279 HydrophobicContact CG2-CZ 4.09Å; V232-F279 HydrophobicContact CG2-CE2 3.77Å; V232-F279 HydrophobicContact CG2-CZ 4.27Å; M235-F279 HydrophobicContact CG-CD2 4.4Å; M235-F279 WeakPolarHBondContact SD-CA 3.37Å; M235-F279 HydrophobicContact SD-CB 3.84Å; M235-F279 HydrophobicContact SD-CD2 4Å; M235-F279 HydrophobicContact SD-CG 4.37Å; W276-F279 VanDerWaalsContact O-CB 3.28Å; W276-F279 WeakPolarHBondContact O-CB 3.48Å; W276-F279 PolarHBondContact O-N 3.06Å; F279-Y282 PolarHBondContact O-N 3.1Å; F279-Y283 WeakPolarHBondContact O-CB 3.42Å; F279-Y283 PolarHBondContact O-N 3.04Å |
| 280 | T | 91.8 | Very high | 90.2 | Very high | 71 Ų | 71 | 48 Ų | 48 | 44% | 0.436 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.3 | -59.1 | -179.1 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | G278 Y282 Y283 F284 | G278-T280 PolarHBondContact O-N 3.35Å; T280-Y282 VanDerWaalsContact C-N 3.26Å; T280-Y282 PolarHBondContact O-N 2.97Å; T280-Y283 PolarHBondContact O-N 3.37Å; T280-F284 HydrophobicContact CG2-CD2 3.59Å; T280-F284 HydrophobicContact CG2-CE2 3.77Å; T280-F284 WeakPolarHBondContact O-CB 3.23Å; T280-F284 VanDerWaalsContact O-CD2 3.26Å; T280-F284 WeakPolarHBondContact O-CD2 3.41Å; T280-F284 PolarHBondContact O-N 2.86Å |
| 281 | P | 92.1 | Very high | 90.4 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.032 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -35.2 | -179.8 | 25.7 | -35.3 | 0 | 0 | 0 | 112.1 | F41 V44 K45 M48 S61 G278 R285 | F41-P281 HydrophobicContact CB-CB 4.46Å; F41-P281 HydrophobicContact CD1-CB 4.28Å; V44-P281 HydrophobicContact CB-CB 4.27Å; V44-P281 HydrophobicContact CG1-CB 4.17Å; V44-P281 HydrophobicContact CG1-CG 4.1Å; K45-P281 HydrophobicContact CB-CB 4.08Å; K45-P281 HydrophobicContact CB-CG 3.8Å; M48-P281 HydrophobicContact SD-CG 3.85Å; S61-P281 WeakPolarHBondContact OG-CD 3.4Å; G278-P281 VanDerWaalsContact O-CD 3.23Å; G278-P281 WeakPolarHBondContact O-CD 3.28Å; G278-P281 VanDerWaalsContact O-CG 3.26Å; G278-P281 WeakPolarHBondContact O-CG 3.43Å; P281-R285 WeakPolarHBondContact O-CB 3.45Å; P281-R285 PolarHBondContact O-N 3.19Å |
| 282 | Y | 91.8 | Very high | 90.6 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -52.4 | 175.8 | -170.1 | -93.3 | 0 | 0 | 0 | 111.8 | K45 T231 S234 G278 F279 T280 R285 L286 | K45-Y282 HydrophobicContact CD-CD2 4.26Å; K45-Y282 HydrophobicContact CG-CD2 4.34Å; T231-Y282 HydrophobicContact CG2-CD1 3.46Å; T231-Y282 VanDerWaalsContact CG2-CD1 3.46Å; T231-Y282 HydrophobicContact CG2-CE1 4.01Å; T231-Y282 HydrophobicContact CG2-CG 4.43Å; S234-Y282 PolarHBondContact OG-OH 3.44Å; G278-Y282 VanDerWaalsContact O-CB 3.22Å; G278-Y282 WeakPolarHBondContact O-CB 3.49Å; G278-Y282 PolarHBondContact O-N 3.44Å; F279-Y282 PolarHBondContact O-N 3.1Å; T280-Y282 VanDerWaalsContact C-N 3.26Å; T280-Y282 PolarHBondContact O-N 2.97Å; Y282-R285 VanDerWaalsContact O-CB 3.28Å; Y282-R285 WeakPolarHBondContact O-CB 3.37Å; Y282-R285 PolarHBondContact O-N 2.8Å; Y282-L286 HydrophobicContact CD1-CD1 3.73Å; Y282-L286 HydrophobicContact CE1-CD1 3.73Å; Y282-L286 HydrophobicContact CG-CD1 4.43Å; Y282-L286 WeakPolarHBondContact O-CD1 3.32Å; Y282-L286 PolarHBondContact O-N 2.98Å |
| 283 | Y | 91 | Very high | 90.7 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 24% | 0.239 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -47.5 | -179.8 | -177.8 | -103.3 | 0 | 0 | 0 | 111.9 | L228 F279 T280 R285 L286 | L228-Y283 HydrophobicContact CB-CE2 4.07Å; L228-Y283 HydrophobicContact CD1-CD2 4.31Å; L228-Y283 HydrophobicContact CD1-CE2 4.07Å; F279-Y283 WeakPolarHBondContact O-CB 3.42Å; F279-Y283 PolarHBondContact O-N 3.04Å; T280-Y283 PolarHBondContact O-N 3.37Å; Y283-R285 PolarHBondContact O-N 3.42Å; Y283-L286 PolarHBondContact O-N 2.87Å; Y283-L286 VanDerWaalsContact O-N 3.11Å |
| 284 | F | 90.7 | Very high | 90.7 | Very high | 123 Ų | 123 | 48.3 Ų | 48.3 | 54% | 0.539 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.5 | -15.4 | 178.4 | -82.3 | -78.5 | 0 | 0 | 0 | 113.7 | F41 T280 P288 | F41-F284 HydrophobicContact CD1-CB 4.24Å; F41-F284 HydrophobicContact CE1-CB 3.84Å; T280-F284 HydrophobicContact CG2-CD2 3.59Å; T280-F284 HydrophobicContact CG2-CE2 3.77Å; T280-F284 WeakPolarHBondContact O-CB 3.23Å; T280-F284 VanDerWaalsContact O-CD2 3.26Å; T280-F284 WeakPolarHBondContact O-CD2 3.41Å; T280-F284 PolarHBondContact O-N 2.86Å; F284-P288 WeakPolarHBondContact O-CD 3.45Å; F284-P288 VanDerWaalsContact O-CG 3.26Å; F284-P288 WeakPolarHBondContact O-CG 3.37Å |
| 285 | R | 91.1 | Very high | 90.9 | Very high | 35 Ų | 35 | 51.2 Ų | 51.2 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -75.6 | -36 | 171.4 | -169.7 | -169.8 | 70.4 | 95.3 | 9.4 | 112.5 | V38 F41 D42 P281 Y282 Y283 G287 H289 | V38-R285 HydrophobicContact CB-CG 3.87Å; V38-R285 HydrophobicContact CG2-CG 3.93Å; F41-R285 HydrophobicContact CB-CB 3.84Å; F41-R285 HydrophobicContact CB-CG 3.98Å; F41-R285 HydrophobicContact CG-CB 4.3Å; D42-R285 WeakPolarHBondContact OD1-CD 3.41Å; D42-R285 IonicContact OD1-CZ 3.99Å; D42-R285 IonicContact OD1-NE 2.64Å; D42-R285 PolarHBondContact OD1-NE 3.45Å; D42-R285 IonicContact OD1-NH1 3.75Å; D42-R285 IonicContact OD2-NH1 2.61Å; P281-R285 WeakPolarHBondContact O-CB 3.45Å; P281-R285 PolarHBondContact O-N 3.19Å; Y282-R285 VanDerWaalsContact O-CB 3.28Å; Y282-R285 WeakPolarHBondContact O-CB 3.37Å; Y282-R285 PolarHBondContact O-N 2.8Å; Y283-R285 PolarHBondContact O-N 3.42Å; R285-G287 PolarHBondContact O-N 3.43Å; R285-H289 WeakPolarHBondContact O-CB 3.37Å; R285-H289 PolarHBondContact O-N 3.31Å |
| 286 | L | 87.2 | Confident | 90.9 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | -172.8 | -89.4 | 76 | 0 | 0 | 0 | 111.9 | Y282 Y283 T290 | Y282-L286 HydrophobicContact CD1-CD1 3.73Å; Y282-L286 HydrophobicContact CE1-CD1 3.73Å; Y282-L286 HydrophobicContact CG-CD1 4.43Å; Y282-L286 WeakPolarHBondContact O-CD1 3.32Å; Y282-L286 PolarHBondContact O-N 2.98Å; Y283-L286 PolarHBondContact O-N 2.87Å; Y283-L286 VanDerWaalsContact O-N 3.11Å; L286-T290 WeakPolarHBondContact O-CB 3.39Å; L286-T290 PolarHBondContact O-N 3.12Å; L286-T290 VanDerWaalsContact O-N 3.08Å; L286-T290 PolarHBondContact O-OG1 3.34Å |
| 287 | G | 86.3 | Confident | 90.8 | Very high | 39 Ų | 39 | 50.6 Ų | 50.6 | 40% | 0.402 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.9 | -64.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | R285 H289 T290 V291 | R285-G287 PolarHBondContact O-N 3.43Å; G287-H289 VanDerWaalsContact C-N 3.32Å; G287-H289 PolarHBondContact O-N 3.18Å; G287-T290 PolarHBondContact O-N 2.76Å; G287-T290 VanDerWaalsContact O-N 3.1Å; G287-V291 WeakPolarHBondContact O-CG2 2.99Å; G287-V291 PolarHBondContact O-N 2.72Å |
| 288 | P | 90.5 | Very high | 90.7 | Very high | 55 Ų | 55 | 54.4 Ų | 54.4 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55 | -43 | 178.6 | -26.6 | 35.8 | 0 | 0 | 0 | 113.2 | V38 F284 T290 V291 L292 | V38-P288 HydrophobicContact CG1-CB 4.04Å; F284-P288 WeakPolarHBondContact O-CD 3.45Å; F284-P288 VanDerWaalsContact O-CG 3.26Å; F284-P288 WeakPolarHBondContact O-CG 3.37Å; P288-T290 VanDerWaalsContact C-N 3.32Å; P288-T290 PolarHBondContact O-N 3.03Å; P288-V291 PolarHBondContact O-N 3.17Å; P288-L292 WeakPolarHBondContact O-CB 3.29Å; P288-L292 WeakPolarHBondContact O-CG 3.32Å; P288-L292 PolarHBondContact O-N 2.59Å |
| 289 | H | 91.6 | Very high | 90.9 | Very high | 35 Ų | 35 | 60 Ų | 60 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 178.2 | -180 | -76.3 | 0 | 0 | 0 | 111.1 | V38 Q88 R285 G287 T293 | V38-H289 HydrophobicContact CG1-CB 3.99Å; V38-H289 HydrophobicContact CG2-CB 4.15Å; Q88-H289 PolarHBondContact NE2-NE2 3.01Å; R285-H289 WeakPolarHBondContact O-CB 3.37Å; R285-H289 PolarHBondContact O-N 3.31Å; G287-H289 VanDerWaalsContact C-N 3.32Å; G287-H289 PolarHBondContact O-N 3.18Å; H289-T293 VanDerWaalsContact O-CB 3.31Å; H289-T293 WeakPolarHBondContact O-CB 3.47Å; H289-T293 PolarHBondContact O-N 3.22Å; H289-T293 PolarHBondContact O-OG1 3.39Å |
| 290 | T | 88.9 | Confident | 90.8 | Very high | 67 Ų | 67 | 59 Ų | 59 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.1 | -51.1 | -179.6 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | L286 G287 P288 L292 T293 F294 | L286-T290 WeakPolarHBondContact O-CB 3.39Å; L286-T290 PolarHBondContact O-N 3.12Å; L286-T290 VanDerWaalsContact O-N 3.08Å; L286-T290 PolarHBondContact O-OG1 3.34Å; G287-T290 PolarHBondContact O-N 2.76Å; G287-T290 VanDerWaalsContact O-N 3.1Å; P288-T290 VanDerWaalsContact C-N 3.32Å; P288-T290 PolarHBondContact O-N 3.03Å; T290-L292 PolarHBondContact O-N 2.98Å; T290-T293 PolarHBondContact O-N 3Å; T290-F294 HydrophobicContact CG2-CD2 3.78Å; T290-F294 HydrophobicContact CG2-CE2 3.54Å; T290-F294 WeakPolarHBondContact O-CD2 3.5Å; T290-F294 PolarHBondContact O-N 3.44Å |
| 291 | V | 89.8 | Confident | 90.6 | Very high | 90 Ų | 90 | 58.4 Ų | 58.4 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 180 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | G287 P288 T293 F294 V295 | G287-V291 WeakPolarHBondContact O-CG2 2.99Å; G287-V291 PolarHBondContact O-N 2.72Å; P288-V291 PolarHBondContact O-N 3.17Å; V291-T293 VanDerWaalsContact C-N 3.32Å; V291-T293 PolarHBondContact O-N 2.73Å; V291-F294 PolarHBondContact O-N 3.19Å; V291-V295 HydrophobicContact CG1-CG2 4.19Å; V291-V295 WeakPolarHBondContact O-CB 2.98Å; V291-V295 VanDerWaalsContact O-CG2 3.31Å; V291-V295 WeakPolarHBondContact O-CG2 3.5Å; V291-V295 PolarHBondContact O-N 3.22Å |
| 292 | L | 93.3 | Very high | 90.4 | Very high | 44 Ų | 44 | 61.4 Ų | 61.4 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 179.5 | -71.2 | 171.5 | 0 | 0 | 0 | 111.9 | A34 F37 V38 P288 T290 F294 V295 F296 | A34-L292 HydrophobicContact CB-CB 3.82Å; F37-L292 HydrophobicContact CB-CD1 3.58Å; F37-L292 HydrophobicContact CD2-CD1 4.14Å; F37-L292 HydrophobicContact CG-CD1 4.02Å; V38-L292 HydrophobicContact CG1-CD1 4.49Å; P288-L292 WeakPolarHBondContact O-CB 3.29Å; P288-L292 WeakPolarHBondContact O-CG 3.32Å; P288-L292 PolarHBondContact O-N 2.59Å; T290-L292 PolarHBondContact O-N 2.98Å; L292-F294 VanDerWaalsContact C-N 3.34Å; L292-F294 PolarHBondContact O-N 2.9Å; L292-V295 PolarHBondContact O-N 3.49Å; L292-F296 HydrophobicContact CB-CD2 4.18Å; L292-F296 HydrophobicContact CB-CE2 3.89Å; L292-F296 HydrophobicContact CD2-CE2 4.11Å; L292-F296 HydrophobicContact CD2-CZ 4.2Å; L292-F296 HydrophobicContact CG-CE2 4.49Å; L292-F296 WeakPolarHBondContact O-CB 3.44Å; L292-F296 WeakPolarHBondContact O-CD2 3.44Å; L292-F296 VanDerWaalsContact O-CG 3.31Å; L292-F296 WeakPolarHBondContact O-CG 3.23Å; L292-F296 PolarHBondContact O-N 2.97Å |
| 293 | T | 91.7 | Very high | 90.3 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | A30 A34 H289 T290 V291 L297 | A30-T293 HydrophobicContact CB-CG2 4.18Å; A34-T293 VanDerWaalsContact CB-OG1 3.29Å; A34-T293 WeakPolarHBondContact CB-OG1 3.23Å; H289-T293 VanDerWaalsContact O-CB 3.31Å; H289-T293 WeakPolarHBondContact O-CB 3.47Å; H289-T293 PolarHBondContact O-N 3.22Å; H289-T293 PolarHBondContact O-OG1 3.39Å; T290-T293 PolarHBondContact O-N 3Å; V291-T293 VanDerWaalsContact C-N 3.32Å; V291-T293 PolarHBondContact O-N 2.73Å; T293-L297 WeakPolarHBondContact O-CB 3.18Å; T293-L297 PolarHBondContact O-N 3.05Å |
| 294 | F | 91.1 | Very high | 90 | Very high | 122 Ų | 122 | 64.2 Ų | 64.2 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.8 | -45.7 | 178.2 | -77.3 | -65 | 0 | 0 | 0 | 112.2 | T290 V291 L292 F296 L297 E298 | T290-F294 HydrophobicContact CG2-CD2 3.78Å; T290-F294 HydrophobicContact CG2-CE2 3.54Å; T290-F294 WeakPolarHBondContact O-CD2 3.5Å; T290-F294 PolarHBondContact O-N 3.44Å; V291-F294 PolarHBondContact O-N 3.19Å; L292-F294 VanDerWaalsContact C-N 3.34Å; L292-F294 PolarHBondContact O-N 2.9Å; F294-F296 PolarHBondContact O-N 2.87Å; F294-L297 WeakPolarHBondContact O-CB 3.4Å; F294-L297 PolarHBondContact O-N 2.94Å; F294-E298 WeakPolarHBondContact O-CG 3.4Å; F294-E298 PolarHBondContact O-N 2.81Å |
| 295 | V | 93 | Very high | 89.6 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 177.8 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | V291 L292 L297 E298 Q299 | V291-V295 HydrophobicContact CG1-CG2 4.19Å; V291-V295 WeakPolarHBondContact O-CB 2.98Å; V291-V295 VanDerWaalsContact O-CG2 3.31Å; V291-V295 WeakPolarHBondContact O-CG2 3.5Å; V291-V295 PolarHBondContact O-N 3.22Å; L292-V295 PolarHBondContact O-N 3.49Å; V295-L297 VanDerWaalsContact C-N 3.3Å; V295-L297 PolarHBondContact O-N 3.1Å; V295-E298 PolarHBondContact O-N 3.25Å; V295-Q299 HydrophobicContact CG1-CG 4.26Å; V295-Q299 WeakPolarHBondContact O-CB 3.4Å; V295-Q299 VanDerWaalsContact O-CG 3.26Å; V295-Q299 WeakPolarHBondContact O-CG 3.35Å; V295-Q299 PolarHBondContact O-N 3.42Å |
| 296 | F | 93 | Very high | 89.3 | Confident | 45 Ų | 45 | 62.6 Ų | 62.6 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 178 | -69.2 | -46.8 | 0 | 0 | 0 | 111.9 | A30 L33 F37 L292 F294 Q299 M300 | A30-F296 HydrophobicContact CB-CB 3.93Å; L33-F296 HydrophobicContact CB-CD2 3.54Å; L33-F296 HydrophobicContact CB-CE2 3.65Å; L33-F296 HydrophobicContact CB-CG 4.08Å; L33-F296 HydrophobicContact CB-CZ 4.27Å; L33-F296 HydrophobicContact CD1-CB 4.44Å; L33-F296 HydrophobicContact CD1-CD1 4.22Å; L33-F296 HydrophobicContact CD1-CD2 4.44Å; L33-F296 HydrophobicContact CD1-CG 4.13Å; F37-F296 HydrophobicContact CD2-CE2 4.11Å; F37-F296 HydrophobicContact CD2-CZ 4.08Å; F37-F296 HydrophobicContact CE2-CE2 4.05Å; F37-F296 AromaticContact CE2-CZ 3.6Å; F37-F296 HydrophobicContact CE2-CZ 3.6Å; F37-F296 HydrophobicContact CZ-CZ 4.48Å; L292-F296 HydrophobicContact CB-CD2 4.18Å; L292-F296 HydrophobicContact CB-CE2 3.89Å; L292-F296 HydrophobicContact CD2-CE2 4.11Å; L292-F296 HydrophobicContact CD2-CZ 4.2Å; L292-F296 HydrophobicContact CG-CE2 4.49Å; L292-F296 WeakPolarHBondContact O-CB 3.44Å; L292-F296 WeakPolarHBondContact O-CD2 3.44Å; L292-F296 VanDerWaalsContact O-CG 3.31Å; L292-F296 WeakPolarHBondContact O-CG 3.23Å; L292-F296 PolarHBondContact O-N 2.97Å; F294-F296 PolarHBondContact O-N 2.87Å; F296-Q299 PolarHBondContact O-N 3.33Å; F296-M300 HydrophobicContact CB-CE 4.36Å; F296-M300 WeakPolarHBondContact O-CB 3.47Å; F296-M300 VanDerWaalsContact O-CE 3.29Å; F296-M300 WeakPolarHBondContact O-CE 3.3Å; F296-M300 WeakPolarHBondContact O-CG 3.4Å; F296-M300 PolarHBondContact O-N 3.04Å |
| 297 | L | 90 | Very high | 89 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 176.6 | -177 | 63.7 | 0 | 0 | 0 | 111.7 | F26 A30 T293 F294 V295 K301 | F26-L297 HydrophobicContact CB-CD1 3.8Å; A30-L297 HydrophobicContact CB-CB 4.15Å; T293-L297 WeakPolarHBondContact O-CB 3.18Å; T293-L297 PolarHBondContact O-N 3.05Å; F294-L297 WeakPolarHBondContact O-CB 3.4Å; F294-L297 PolarHBondContact O-N 2.94Å; V295-L297 VanDerWaalsContact C-N 3.3Å; V295-L297 PolarHBondContact O-N 3.1Å; L297-K301 HydrophobicContact CG-CD 4.37Å; L297-K301 WeakPolarHBondContact O-CB 3.45Å; L297-K301 WeakPolarHBondContact O-CG 3.39Å; L297-K301 PolarHBondContact O-N 2.78Å |
| 298 | E | 89.9 | Confident | 88.5 | Confident | 115 Ų | 115 | 66.5 Ų | 66.5 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 176.9 | -74.6 | 177.1 | -177.9 | 0 | 0 | 111.7 | F294 V295 M300 K301 T302 | F294-E298 WeakPolarHBondContact O-CG 3.4Å; F294-E298 PolarHBondContact O-N 2.81Å; V295-E298 PolarHBondContact O-N 3.25Å; E298-M300 VanDerWaalsContact C-N 3.35Å; E298-M300 PolarHBondContact O-N 3.15Å; E298-K301 PolarHBondContact O-N 2.92Å; E298-T302 WeakPolarHBondContact O-CB 3.26Å; E298-T302 PolarHBondContact O-N 3.41Å; E298-T302 PolarHBondContact O-OG1 3.06Å; E298-T302 VanDerWaalsContact O-OG1 3.05Å |
| 299 | Q | 92.9 | Very high | 87.3 | Confident | 119 Ų | 119 | 68.3 Ų | 68.3 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 178.4 | -67.4 | -58.7 | -35.9 | 0 | 0 | 112 | V295 F296 T302 A303 | V295-Q299 HydrophobicContact CG1-CG 4.26Å; V295-Q299 WeakPolarHBondContact O-CB 3.4Å; V295-Q299 VanDerWaalsContact O-CG 3.26Å; V295-Q299 WeakPolarHBondContact O-CG 3.35Å; V295-Q299 PolarHBondContact O-N 3.42Å; F296-Q299 PolarHBondContact O-N 3.33Å; Q299-T302 PolarHBondContact O-N 3.22Å; Q299-A303 VanDerWaalsContact O-CB 3.28Å; Q299-A303 WeakPolarHBondContact O-CB 3.11Å; Q299-A303 PolarHBondContact O-N 3.19Å |
| 300 | M | 90.1 | Very high | 85.7 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 176.1 | -72.9 | -175.5 | -67.9 | 0 | 0 | 112.6 | F26 T29 A30 F296 E298 Y304 | F26-M300 HydrophobicContact CB-CE 4.1Å; F26-M300 HydrophobicContact CD1-CB 4.3Å; F26-M300 HydrophobicContact CD1-SD 4.24Å; F26-M300 HydrophobicContact CD2-CB 4.09Å; F26-M300 HydrophobicContact CE2-CB 4.34Å; F26-M300 HydrophobicContact CG-CB 4.07Å; F26-M300 HydrophobicContact CG-SD 4.49Å; F26-M300 WeakPolarHBondContact O-CE 3.21Å; T29-M300 HydrophobicContact CG2-SD 4.02Å; A30-M300 HydrophobicContact CB-CE 3.55Å; F296-M300 HydrophobicContact CB-CE 4.36Å; F296-M300 WeakPolarHBondContact O-CB 3.47Å; F296-M300 VanDerWaalsContact O-CE 3.29Å; F296-M300 WeakPolarHBondContact O-CE 3.3Å; F296-M300 WeakPolarHBondContact O-CG 3.4Å; F296-M300 PolarHBondContact O-N 3.04Å; E298-M300 VanDerWaalsContact C-N 3.35Å; E298-M300 PolarHBondContact O-N 3.15Å; M300-Y304 WeakPolarHBondContact O-CB 3.38Å; M300-Y304 PolarHBondContact O-N 3.31Å |
| 301 | K | 87.1 | Confident | 83.7 | Confident | 59 Ų | 59 | 74.7 Ų | 74.7 | 26% | 0.257 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 175.1 | -74.6 | 176.3 | 177.3 | 178.6 | 0 | 111.4 | L18 F26 L297 E298 Y304 L305 | L18-K301 HydrophobicContact CD1-CB 4.34Å; L18-K301 HydrophobicContact CD1-CD 4.24Å; L18-K301 HydrophobicContact CD1-CG 3.72Å; F26-K301 HydrophobicContact CD2-CG 4.27Å; L297-K301 HydrophobicContact CG-CD 4.37Å; L297-K301 WeakPolarHBondContact O-CB 3.45Å; L297-K301 WeakPolarHBondContact O-CG 3.39Å; L297-K301 PolarHBondContact O-N 2.78Å; E298-K301 PolarHBondContact O-N 2.92Å; K301-Y304 PolarHBondContact O-N 2.85Å; K301-L305 WeakPolarHBondContact O-CB 3.31Å; K301-L305 VanDerWaalsContact O-CG 3.31Å; K301-L305 WeakPolarHBondContact O-CG 3.14Å; K301-L305 PolarHBondContact O-N 2.82Å |
| 302 | T | 88.1 | Confident | 81.6 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.1 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | E298 Q299 Y304 L305 N306 | E298-T302 WeakPolarHBondContact O-CB 3.26Å; E298-T302 PolarHBondContact O-N 3.41Å; E298-T302 PolarHBondContact O-OG1 3.06Å; E298-T302 VanDerWaalsContact O-OG1 3.05Å; Q299-T302 PolarHBondContact O-N 3.22Å; T302-Y304 PolarHBondContact O-N 3.38Å; T302-L305 PolarHBondContact O-N 3.42Å; T302-N306 WeakPolarHBondContact O-CB 3.43Å; T302-N306 PolarHBondContact O-N 3.5Å; T302-N306 PolarHBondContact O-ND2 3.07Å |
| 303 | A | 88.2 | Confident | 79.3 | Confident | 49 Ų | 49 | 79.1 Ų | 79.1 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q299 N306 I307 | Q299-A303 VanDerWaalsContact O-CB 3.28Å; Q299-A303 WeakPolarHBondContact O-CB 3.11Å; Q299-A303 PolarHBondContact O-N 3.19Å; A303-N306 PolarHBondContact O-N 2.71Å; A303-I307 VanDerWaalsContact O-CG1 3.31Å; A303-I307 WeakPolarHBondContact O-CG1 3.18Å; A303-I307 PolarHBondContact O-N 3.1Å; A303-I307 VanDerWaalsContact O-N 3.12Å |
| 304 | Y | 85.4 | Confident | 76.9 | Confident | 83 Ų | 83 | 85.1 Ų | 85.1 | 33% | 0.325 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 175.8 | 178.7 | -93.6 | 0 | 0 | 0 | 112.4 | L18 L22 F26 M300 K301 T302 N306 I307 S308 | L18-Y304 HydrophobicContact CD2-CD1 3.31Å; L18-Y304 HydrophobicContact CD2-CE1 3.54Å; L18-Y304 HydrophobicContact CD2-CG 3.92Å; L18-Y304 HydrophobicContact CG-CD1 4.32Å; L18-Y304 HydrophobicContact CG-CE1 4.47Å; L22-Y304 HydrophobicContact CD2-CD1 4.24Å; L22-Y304 HydrophobicContact CD2-CD2 3.52Å; L22-Y304 HydrophobicContact CD2-CE1 4.04Å; L22-Y304 HydrophobicContact CD2-CE2 3.27Å; L22-Y304 HydrophobicContact CD2-CG 3.98Å; F26-Y304 HydrophobicContact CE2-CG 4.3Å; F26-Y304 HydrophobicContact CZ-CD2 4.26Å; F26-Y304 HydrophobicContact CZ-CG 4.25Å; M300-Y304 WeakPolarHBondContact O-CB 3.38Å; M300-Y304 PolarHBondContact O-N 3.31Å; K301-Y304 PolarHBondContact O-N 2.85Å; T302-Y304 PolarHBondContact O-N 3.38Å; Y304-N306 VanDerWaalsContact C-N 3.34Å; Y304-N306 PolarHBondContact O-N 2.95Å; Y304-I307 PolarHBondContact O-N 3.4Å; Y304-S308 PolarHBondContact O-N 2.87Å; Y304-S308 PolarHBondContact O-OG 2.94Å |
| 305 | L | 82.4 | Confident | 74.4 | Confident | 26 Ų | 26 | 84.6 Ų | 84.6 | 14% | 0.136 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 179.6 | -72.9 | 171.5 | 0 | 0 | 0 | 111.2 | R14 K301 T302 I307 S308 T309 | R14-L305 HydrophobicContact CB-CD1 4.05Å; R14-L305 HydrophobicContact CB-CD2 3.97Å; R14-L305 HydrophobicContact CG-CD2 4.38Å; K301-L305 WeakPolarHBondContact O-CB 3.31Å; K301-L305 VanDerWaalsContact O-CG 3.31Å; K301-L305 WeakPolarHBondContact O-CG 3.14Å; K301-L305 PolarHBondContact O-N 2.82Å; T302-L305 PolarHBondContact O-N 3.42Å; L305-I307 VanDerWaalsContact C-N 3.32Å; L305-I307 PolarHBondContact O-N 3.39Å; L305-S308 WeakPolarHBondContact CA-OG 3.21Å; L305-S308 PolarHBondContact O-N 3.11Å; L305-S308 PolarHBondContact O-OG 3.37Å; L305-T309 WeakPolarHBondContact O-CG2 3.28Å; L305-T309 PolarHBondContact O-N 3.02Å; L305-T309 PolarHBondContact O-OG1 3.45Å; L305-T309 VanDerWaalsContact O-OG1 3.07Å |
| 306 | N | 84.5 | Confident | 71.8 | Confident | 99 Ų | 99 | 88.3 Ų | 88.3 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 176.9 | -70.2 | -14.1 | 0 | 0 | 0 | 112.1 | T302 A303 Y304 T309 S310 | T302-N306 WeakPolarHBondContact O-CB 3.43Å; T302-N306 PolarHBondContact O-N 3.5Å; T302-N306 PolarHBondContact O-ND2 3.07Å; A303-N306 PolarHBondContact O-N 2.71Å; Y304-N306 VanDerWaalsContact C-N 3.34Å; Y304-N306 PolarHBondContact O-N 2.95Å; N306-T309 WeakPolarHBondContact CA-OG1 3.38Å; N306-T309 PolarHBondContact O-N 2.78Å; N306-T309 PolarHBondContact O-OG1 2.85Å; N306-S310 PolarHBondContact O-N 2.92Å; N306-S310 PolarHBondContact O-OG 3.43Å |
| 307 | I | 82.3 | Confident | 69.1 | Low | 108 Ų | 108 | 89.3 Ų | 89.3 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.6 | -46.7 | 176.6 | -65.7 | 165.1 | 0 | 0 | 0 | 110.3 | A303 Y304 L305 T309 S310 E311 | A303-I307 VanDerWaalsContact O-CG1 3.31Å; A303-I307 WeakPolarHBondContact O-CG1 3.18Å; A303-I307 PolarHBondContact O-N 3.1Å; A303-I307 VanDerWaalsContact O-N 3.12Å; Y304-I307 PolarHBondContact O-N 3.4Å; L305-I307 VanDerWaalsContact C-N 3.32Å; L305-I307 PolarHBondContact O-N 3.39Å; I307-T309 VanDerWaalsContact C-N 3.26Å; I307-T309 PolarHBondContact O-N 3.3Å; I307-S310 WeakPolarHBondContact CA-OG 3.33Å; I307-S310 PolarHBondContact O-N 2.83Å; I307-S310 PolarHBondContact O-OG 3.03Å; I307-E311 PolarHBondContact O-N 2.92Å |
| 308 | S | 74.5 | Confident | 66.6 | Low | 52 Ų | 52 | 98.4 Ų | 98.4 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65 | -27.3 | 179.9 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | Y304 L305 S310 | Y304-S308 PolarHBondContact O-N 2.87Å; Y304-S308 PolarHBondContact O-OG 2.94Å; L305-S308 WeakPolarHBondContact CA-OG 3.21Å; L305-S308 PolarHBondContact O-N 3.11Å; L305-S308 PolarHBondContact O-OG 3.37Å; S308-S310 VanDerWaalsContact C-N 3.34Å |
| 309 | T | 66.4 | Low | 65.5 | Low | 94 Ų | 94 | 97.6 Ų | 97.6 | 58% | 0.577 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -80.6 | -16.5 | 173.1 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | L305 N306 I307 | L305-T309 WeakPolarHBondContact O-CG2 3.28Å; L305-T309 PolarHBondContact O-N 3.02Å; L305-T309 PolarHBondContact O-OG1 3.45Å; L305-T309 VanDerWaalsContact O-OG1 3.07Å; N306-T309 WeakPolarHBondContact CA-OG1 3.38Å; N306-T309 PolarHBondContact O-N 2.78Å; N306-T309 PolarHBondContact O-OG1 2.85Å; I307-T309 VanDerWaalsContact C-N 3.26Å; I307-T309 PolarHBondContact O-N 3.3Å |
| 310 | S | 57.9 | Low | 64 | Low | 80 Ų | 80 | 96.4 Ų | 96.4 | 56% | 0.559 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -91.3 | -10.7 | -178.6 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | N306 I307 S308 P312 | N306-S310 PolarHBondContact O-N 2.92Å; N306-S310 PolarHBondContact O-OG 3.43Å; I307-S310 WeakPolarHBondContact CA-OG 3.33Å; I307-S310 PolarHBondContact O-N 2.83Å; I307-S310 PolarHBondContact O-OG 3.03Å; S308-S310 VanDerWaalsContact C-N 3.34Å; S310-P312 WeakPolarHBondContact O-CD 3.2Å |
| 311 | E | 45.2 | Very low | 62.6 | Low | 156 Ų | 156 | 99.7 Ų | 99.7 | 73% | 0.729 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -69 | 106.8 | 168 | -79.5 | -177.6 | 164.1 | 0 | 0 | 108.7 | I307 | I307-E311 PolarHBondContact O-N 2.92Š|
| 312 | P | 45.7 | Very low | 61.2 | Low | 101 Ų | 101 | 102.1 Ų | 102.1 | 66% | 0.656 | 62% | 0.619 | S | S | * | * | trans | -72.2 | 141.5 | 173.6 | -4.2 | 24.7 | 0 | 0 | 0 | 107.6 | S310 D314 | S310-P312 WeakPolarHBondContact O-CD 3.2Å; P312-D314 PolarHBondContact O-N 3.22Å | ||
| 313 | T | 46.3 | Very low | 59.5 | Low | 126 Ų | 126 | 104.3 Ų | 104.3 | 77% | 0.773 | 63% | 0.632 | S | S | * | * | trans | -61.1 | 76.3 | 167.7 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | S315 | T313-S315 VanDerWaalsContact C-N 3.26Å; T313-S315 PolarHBondContact O-N 3.4Å; T313-S315 VanDerWaalsContact O-N 3.14Å | ||
| 314 | D | 40.3 | Very low | 57.6 | Low | 156 Ų | 156 | 107.9 Ų | 107.9 | 83% | 0.834 | 65% | 0.647 | S | S | * | * | trans | -82.5 | 76 | 165.4 | -90.1 | -16 | 0 | 0 | 0 | 108.6 | P312 | P312-D314 PolarHBondContact O-N 3.22Š| ||
| 315 | S | 39.5 | Very low | 55.6 | Low | 112 Ų | 112 | 109.7 Ų | 109.7 | 78% | 0.783 | 67% | 0.67 | S | S | * | * | trans | -156.1 | 50.7 | 154.9 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | T313 | T313-S315 VanDerWaalsContact C-N 3.26Å; T313-S315 PolarHBondContact O-N 3.4Å; T313-S315 VanDerWaalsContact O-N 3.14Å | ||
| 316 | T | 37.7 | Very low | 53.5 | Low | 139 Ų | 139 | 116.2 Ų | 116.2 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | trans | -128.6 | 96.9 | 156.1 | 49.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 317 | G | 37.5 | Very low | 50.9 | Low | 66 Ų | 66 | 117.6 Ų | 117.6 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | trans | -175.8 | 87.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 318 | T | 37.7 | Very low | 48.1 | Very low | 221 Ų | 221 | 118.5 Ų | 118.5 | 100% | 1.356 | 74% | 0.742 | S | S | * | * | trans | 70.2 | 0 | 163.4 | 65.2 | 0 | 0 | 0 | 0 | 118.7 |
Retrieved 318 of 318 residues in 164.9 ms
(Link to these results)