| 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 | 47.2 | Very low | 47.8 | Very low | 215 Ų | 215 | 144.6 Ų | 144.6 | 100% | 1.059 | 68% | 0.679 | S | S | * | * | 0 | -29.3 | 0 | -81.5 | -145.9 | -88.2 | 0 | 0 | 114.4 | |||||
| 2 | L | 46.4 | Very low | 47.8 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 72% | 0.723 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -70.2 | -32.2 | 175.1 | -89.3 | 79.1 | 0 | 0 | 0 | 114 | F4 R5 N6 | L2-F4 PolarHBondContact O-N 3.01Å; L2-R5 PolarHBondContact O-N 3.4Å; L2-N6 PolarHBondContact O-N 3.33Å |
| 3 | E | 48.3 | Very low | 47.6 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 77% | 0.771 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -66.5 | -33.9 | 178.5 | -69.4 | -91.9 | 134.7 | 0 | 0 | 113.2 | G7 | E3-G7 PolarHBondContact O-N 2.79Å |
| 4 | F | 47.8 | Very low | 47.9 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -76 | -31 | 177.4 | -113.3 | -91.7 | 0 | 0 | 0 | 112.6 | L2 G7 L8 | L2-F4 PolarHBondContact O-N 3.01Å; F4-G7 PolarHBondContact O-N 3.43Å; F4-L8 PolarHBondContact O-N 3.12Å |
| 5 | R | 48.5 | Very low | 48.6 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -69.2 | -42 | 175.7 | -161.6 | 178.1 | -137.7 | -166.5 | 3 | 111.4 | L2 G7 L8 E9 | L2-R5 PolarHBondContact O-N 3.4Å; R5-G7 VanDerWaalsContact C-N 3.27Å; R5-G7 PolarHBondContact O-N 2.68Å; R5-L8 PolarHBondContact O-N 2.78Å; R5-E9 PolarHBondContact O-N 2.8Å |
| 6 | N | 48.1 | Very low | 49.1 | Very low | 76 Ų | 76 | 146 Ų | 146 | 41% | 0.406 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -72.6 | -18.4 | 178.1 | -66.1 | -10.6 | 0 | 0 | 0 | 113.2 | L2 R10 | L2-N6 PolarHBondContact O-N 3.33Å; N6-R10 WeakPolarHBondContact O-CG 3.32Å; N6-R10 PolarHBondContact O-NE 3Å |
| 7 | G | 46.9 | Very low | 49.9 | Very low | 31 Ų | 31 | 142.7 Ų | 142.7 | 32% | 0.32 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -78.4 | -39.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | E3 F4 R5 R10 H11 | E3-G7 PolarHBondContact O-N 2.79Å; F4-G7 PolarHBondContact O-N 3.43Å; R5-G7 VanDerWaalsContact C-N 3.27Å; R5-G7 PolarHBondContact O-N 2.68Å; G7-R10 PolarHBondContact O-N 3.43Å; G7-H11 PolarHBondContact O-N 2.84Å |
| 8 | L | 50.6 | Low | 50.8 | Low | 128 Ų | 128 | 141.8 Ų | 141.8 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.4 | -36.7 | -179.3 | -152.2 | 74.3 | 0 | 0 | 0 | 112.3 | F4 R5 R10 H11 M12 | F4-L8 PolarHBondContact O-N 3.12Å; R5-L8 PolarHBondContact O-N 2.78Å; L8-R10 PolarHBondContact O-N 3.39Å; L8-H11 PolarHBondContact O-N 2.73Å; L8-M12 PolarHBondContact O-N 3.15Å |
| 9 | E | 46.1 | Very low | 51.7 | Low | 131 Ų | 131 | 144.2 Ų | 144.2 | 61% | 0.612 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -64.8 | -27.8 | 171.6 | -80.7 | -176.3 | 166 | 0 | 0 | 113 | R5 | R5-E9 PolarHBondContact O-N 2.8Å |
| 10 | R | 48.3 | Very low | 52.9 | Low | 185 Ų | 185 | 140.9 Ų | 140.9 | 70% | 0.698 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -78.4 | -22.4 | 175.1 | -79 | -174.4 | -79.4 | 164.8 | -6.4 | 113.2 | N6 G7 L8 | N6-R10 WeakPolarHBondContact O-CG 3.32Å; N6-R10 PolarHBondContact O-NE 3Å; G7-R10 PolarHBondContact O-N 3.43Å; L8-R10 PolarHBondContact O-N 3.39Å |
| 11 | H | 47.4 | Very low | 54.2 | Low | 154 Ų | 154 | 136.1 Ų | 136.1 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -93.5 | -17.4 | -179 | -126.8 | 69 | 0 | 0 | 0 | 114.4 | G7 L8 K13 T14 | G7-H11 PolarHBondContact O-N 2.84Å; L8-H11 PolarHBondContact O-N 2.73Å; H11-K13 VanDerWaalsContact C-N 3.31Å; H11-T14 PolarHBondContact O-OG1 2.78Å |
| 12 | M | 48 | Very low | 56 | Low | 165 Ų | 165 | 128.4 Ų | 128.4 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -1.9 | 171.5 | -68.9 | -112.6 | 132.4 | 0 | 0 | 112.9 | L8 T14 | L8-M12 PolarHBondContact O-N 3.15Å; M12-T14 PolarHBondContact O-N 3.3Å |
| 13 | K | 45.7 | Very low | 57.9 | Low | 180 Ų | 180 | 130 Ų | 130 | 78% | 0.783 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 17.9 | 173.3 | -147.6 | 158.1 | -172.5 | 167.6 | 0 | 112.4 | H11 K15 | H11-K13 VanDerWaalsContact C-N 3.31Å; K13-K15 PolarHBondContact O-N 3.35Å |
| 14 | T | 51.4 | Low | 60 | Low | 104 Ų | 104 | 126.6 Ų | 126.6 | 64% | 0.638 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -75.4 | 110.4 | 157.9 | 0.2 | 0 | 0 | 0 | 0 | 106.8 | H11 M12 V16 | H11-T14 PolarHBondContact O-OG1 2.78Å; M12-T14 PolarHBondContact O-N 3.3Å; T14-V16 VanDerWaalsContact C-N 3.3Å; T14-V16 PolarHBondContact O-N 2.78Å |
| 15 | K | 58.3 | Low | 61.9 | Low | 209 Ų | 209 | 122 Ų | 122 | 91% | 0.909 | 60% | 0.603 | S | S | * | * | trans | -54.3 | 85.2 | 178.8 | -70.9 | 172.6 | 172.9 | 177.9 | 0 | 111.4 | K13 N17 | K13-K15 PolarHBondContact O-N 3.35Å; K15-N17 PolarHBondContact O-N 2.79Å | ||
| 16 | V | 57.7 | Low | 63.7 | Low | 87 Ų | 87 | 116.5 Ų | 116.5 | 53% | 0.527 | 59% | 0.586 | S | S | . | * | trans | -79 | 102.4 | 155.4 | -164 | 0 | 0 | 0 | 0 | 104.5 | T14 M18 L21 | T14-V16 VanDerWaalsContact C-N 3.3Å; T14-V16 PolarHBondContact O-N 2.78Å; V16-M18 VanDerWaalsContact C-N 3.35Å; V16-M18 PolarHBondContact O-N 3.41Å; V16-L21 HydrophobicContact CG1-CD1 4.29Å; V16-L21 HydrophobicContact CG1-CD2 3.76Å; V16-L21 HydrophobicContact CG1-CG 4.38Å | ||
| 17 | N | 62.2 | Low | 65.7 | Low | 90 Ų | 90 | 117.7 Ų | 117.7 | 48% | 0.481 | 59% | 0.592 | S | S | . | * | trans | -66.6 | 97.5 | -179.8 | -171.3 | 10.2 | 0 | 0 | 0 | 108.1 | K15 E19 S20 | K15-N17 PolarHBondContact O-N 2.79Å; N17-E19 PolarHBondContact O-N 2.8Å; N17-S20 WeakPolarHBondContact CB-OG 3.44Å; N17-S20 PolarHBondContact O-N 3.34Å; N17-S20 PolarHBondContact O-OG 3.43Å | ||
| 18 | M | 65.6 | Low | 67.8 | Low | 127 Ų | 127 | 121.9 Ų | 121.9 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -23.7 | -173.8 | -73.1 | -90.5 | 157.8 | 0 | 0 | 112.7 | V16 L29 | V16-M18 VanDerWaalsContact C-N 3.35Å; V16-M18 PolarHBondContact O-N 3.41Å; M18-L29 HydrophobicContact CE-CD2 3.79Å; M18-L29 HydrophobicContact SD-CD2 4.2Å |
| 19 | E | 67.6 | Low | 69.7 | Low | 186 Ų | 186 | 118 Ų | 118 | 87% | 0.869 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -12.3 | -179.4 | -64.5 | 165.7 | 178.8 | 0 | 0 | 113.1 | N17 | N17-E19 PolarHBondContact O-N 2.8Š|
| 20 | S | 76.7 | Confident | 71.8 | Confident | 79 Ų | 79 | 117.5 Ų | 117.5 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -113.8 | 12.5 | -178.1 | 75.8 | 0 | 0 | 0 | 0 | 114.2 | N17 | N17-S20 WeakPolarHBondContact CB-OG 3.44Å; N17-S20 PolarHBondContact O-N 3.34Å; N17-S20 PolarHBondContact O-OG 3.43Å |
| 21 | L | 79.8 | Confident | 73.9 | Confident | 41 Ų | 41 | 112.3 Ų | 112.3 | 22% | 0.215 | 57% | 0.573 | C | S | . | * | trans | -75.1 | 130.1 | 178.1 | -68.8 | 174.7 | 0 | 0 | 0 | 110.6 | V16 E25 L26 L29 | V16-L21 HydrophobicContact CG1-CD1 4.29Å; V16-L21 HydrophobicContact CG1-CD2 3.76Å; V16-L21 HydrophobicContact CG1-CG 4.38Å; L21-E25 HydrophobicContact CB-CB 4.46Å; L21-E25 HydrophobicContact CD2-CB 4.09Å; L21-L26 HydrophobicContact CB-CB 4.43Å; L21-L26 HydrophobicContact CD1-CD1 4.41Å; L21-L29 HydrophobicContact CD1-CD2 4.02Å | ||
| 22 | S | 85.2 | Confident | 76 | Confident | 53 Ų | 53 | 109.9 Ų | 109.9 | 37% | 0.371 | 56% | 0.564 | S | S | . | * | trans | -68.3 | 155.1 | 170.9 | 68.6 | 0 | 0 | 0 | 0 | 110.4 | P24 E25 L26 | S22-P24 VanDerWaalsContact C-CD 3.42Å; S22-P24 VanDerWaalsContact C-N 3.33Å; S22-P24 WeakPolarHBondContact OG-CD 3.27Å; S22-E25 WeakPolarHBondContact CB-OE2 3.3Å; S22-E25 PolarHBondContact N-OE2 3.4Å; S22-E25 PolarHBondContact O-N 3.18Å; S22-E25 WeakPolarHBondContact OG-CG 3.39Å; S22-E25 PolarHBondContact OG-OE2 2.88Å; S22-L26 PolarHBondContact O-N 2.68Å | ||
| 23 | K | 86.4 | Confident | 78.1 | Confident | 172 Ų | 172 | 106.1 Ų | 106.1 | 75% | 0.748 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -46.9 | -44.4 | 179.1 | -171.3 | 177.7 | 179.4 | -178.4 | 0 | 114.5 | L27 | K23-L27 HydrophobicContact CG-CD1 4.44Å; K23-L27 WeakPolarHBondContact O-CG 3.38Å; K23-L27 PolarHBondContact O-N 2.87Å |
| 24 | P | 91 | Very high | 80.4 | Confident | 92 Ų | 92 | 103 Ų | 103 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.1 | -35.4 | 177.5 | 26.4 | -34.6 | 0 | 0 | 0 | 113.4 | S22 L27 M28 | S22-P24 VanDerWaalsContact C-CD 3.42Å; S22-P24 VanDerWaalsContact C-N 3.33Å; S22-P24 WeakPolarHBondContact OG-CD 3.27Å; P24-L27 PolarHBondContact O-N 3.31Å; P24-M28 WeakPolarHBondContact O-CB 3.4Å; P24-M28 PolarHBondContact O-N 2.82Å |
| 25 | E | 88.1 | Confident | 82.5 | Confident | 89 Ų | 89 | 99.7 Ų | 99.7 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 178.3 | -66.1 | 166.3 | 140.9 | 0 | 0 | 111.6 | L21 S22 M28 L29 | L21-E25 HydrophobicContact CB-CB 4.46Å; L21-E25 HydrophobicContact CD2-CB 4.09Å; S22-E25 WeakPolarHBondContact CB-OE2 3.3Å; S22-E25 PolarHBondContact N-OE2 3.4Å; S22-E25 PolarHBondContact O-N 3.18Å; S22-E25 WeakPolarHBondContact OG-CG 3.39Å; S22-E25 PolarHBondContact OG-OE2 2.88Å; E25-M28 PolarHBondContact O-N 2.85Å; E25-L29 WeakPolarHBondContact O-CB 3.28Å; E25-L29 PolarHBondContact O-N 3.38Å |
| 26 | L | 87.3 | Confident | 84.2 | Confident | 67 Ų | 67 | 93.7 Ų | 93.7 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 175.6 | -176.8 | 62.4 | 0 | 0 | 0 | 111.9 | L21 S22 L29 F30 | L21-L26 HydrophobicContact CB-CB 4.43Å; L21-L26 HydrophobicContact CD1-CD1 4.41Å; S22-L26 PolarHBondContact O-N 2.68Å; L26-L29 PolarHBondContact O-N 3.33Å; L26-F30 HydrophobicContact CD1-CD2 4.05Å; L26-F30 HydrophobicContact CD1-CE2 3.53Å; L26-F30 HydrophobicContact CD1-CZ 4.09Å; L26-F30 HydrophobicContact CD2-CE2 3.99Å; L26-F30 HydrophobicContact CG-CD2 3.85Å; L26-F30 HydrophobicContact CG-CE2 3.52Å; L26-F30 HydrophobicContact CG-CZ 4.5Å; L26-F30 WeakPolarHBondContact O-CD2 3.3Å; L26-F30 PolarHBondContact O-N 2.98Å |
| 27 | L | 89.9 | Confident | 85.9 | Confident | 101 Ų | 101 | 94.5 Ų | 94.5 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.6 | -74.9 | 171.1 | 0 | 0 | 0 | 111.8 | K23 P24 L29 F30 S31 | K23-L27 HydrophobicContact CG-CD1 4.44Å; K23-L27 WeakPolarHBondContact O-CG 3.38Å; K23-L27 PolarHBondContact O-N 2.87Å; P24-L27 PolarHBondContact O-N 3.31Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 3.26Å; L27-F30 PolarHBondContact O-N 3.46Å; L27-S31 PolarHBondContact O-N 2.93Å; L27-S31 PolarHBondContact O-OG 3.31Å |
| 28 | M | 91.6 | Very high | 87.5 | Confident | 119 Ų | 119 | 95.4 Ų | 95.4 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.3 | -42.5 | 175.5 | 178.9 | 173.3 | 54.3 | 0 | 0 | 111.8 | P24 E25 S31 I32 | P24-M28 WeakPolarHBondContact O-CB 3.4Å; P24-M28 PolarHBondContact O-N 2.82Å; E25-M28 PolarHBondContact O-N 2.85Å; M28-S31 PolarHBondContact O-N 3.25Å; M28-I32 HydrophobicContact CG-CD1 4.21Å; M28-I32 WeakPolarHBondContact O-CG1 3.42Å; M28-I32 PolarHBondContact O-N 3.24Å; M28-I32 VanDerWaalsContact O-N 3.08Å |
| 29 | L | 88.7 | Confident | 88.9 | Confident | 48 Ų | 48 | 92 Ų | 92 | 25% | 0.251 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 175.6 | 179.7 | 62.6 | 0 | 0 | 0 | 111.9 | M18 L21 E25 L26 L27 S31 I32 L33 | M18-L29 HydrophobicContact CE-CD2 3.79Å; M18-L29 HydrophobicContact SD-CD2 4.2Å; L21-L29 HydrophobicContact CD1-CD2 4.02Å; E25-L29 WeakPolarHBondContact O-CB 3.28Å; E25-L29 PolarHBondContact O-N 3.38Å; L26-L29 PolarHBondContact O-N 3.33Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 3.26Å; L29-S31 PolarHBondContact O-N 2.78Å; L29-I32 PolarHBondContact O-N 2.85Å; L29-L33 HydrophobicContact CD1-CD1 4.24Å; L29-L33 HydrophobicContact CD1-CG 4.29Å; L29-L33 HydrophobicContact CG-CD1 4.05Å; L29-L33 WeakPolarHBondContact O-CG 3.26Å; L29-L33 PolarHBondContact O-N 3.44Å |
| 30 | F | 90.1 | Very high | 90.1 | Very high | 120 Ų | 120 | 90.2 Ų | 90.2 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.1 | -79.7 | -54.9 | 0 | 0 | 0 | 112.5 | L26 L27 I32 L33 E34 | L26-F30 HydrophobicContact CD1-CD2 4.05Å; L26-F30 HydrophobicContact CD1-CE2 3.53Å; L26-F30 HydrophobicContact CD1-CZ 4.09Å; L26-F30 HydrophobicContact CD2-CE2 3.99Å; L26-F30 HydrophobicContact CG-CD2 3.85Å; L26-F30 HydrophobicContact CG-CE2 3.52Å; L26-F30 HydrophobicContact CG-CZ 4.5Å; L26-F30 WeakPolarHBondContact O-CD2 3.3Å; L26-F30 PolarHBondContact O-N 2.98Å; L27-F30 PolarHBondContact O-N 3.46Å; F30-I32 VanDerWaalsContact C-N 3.31Å; F30-I32 PolarHBondContact O-N 2.83Å; F30-L33 PolarHBondContact O-N 3.37Å; F30-E34 WeakPolarHBondContact O-CB 3.46Å; F30-E34 PolarHBondContact O-N 2.76Å |
| 31 | S | 92.4 | Very high | 91 | Very high | 76 Ų | 76 | 90.7 Ų | 90.7 | 53% | 0.531 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 175.6 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | L27 M28 L29 G35 | L27-S31 PolarHBondContact O-N 2.93Å; L27-S31 PolarHBondContact O-OG 3.31Å; M28-S31 PolarHBondContact O-N 3.25Å; L29-S31 PolarHBondContact O-N 2.78Å; S31-G35 PolarHBondContact O-N 3.33Å; S31-G35 VanDerWaalsContact O-N 3.12Å |
| 32 | I | 92.3 | Very high | 91.7 | Very high | 103 Ų | 103 | 93.3 Ų | 93.3 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -45.9 | 175.8 | -66.9 | 165.7 | 0 | 0 | 0 | 110.8 | M28 L29 F30 E34 G35 E36 | M28-I32 HydrophobicContact CG-CD1 4.21Å; M28-I32 WeakPolarHBondContact O-CG1 3.42Å; M28-I32 PolarHBondContact O-N 3.24Å; M28-I32 VanDerWaalsContact O-N 3.08Å; L29-I32 PolarHBondContact O-N 2.85Å; F30-I32 VanDerWaalsContact C-N 3.31Å; F30-I32 PolarHBondContact O-N 2.83Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 2.91Å; I32-G35 PolarHBondContact O-N 3.28Å; I32-E36 PolarHBondContact O-N 2.86Å |
| 33 | L | 92.7 | Very high | 92.2 | Very high | 85 Ų | 85 | 94.8 Ų | 94.8 | 45% | 0.445 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 179.8 | -70 | 173.2 | 0 | 0 | 0 | 112.3 | L29 F30 E36 L37 | L29-L33 HydrophobicContact CD1-CD1 4.24Å; L29-L33 HydrophobicContact CD1-CG 4.29Å; L29-L33 HydrophobicContact CG-CD1 4.05Å; L29-L33 WeakPolarHBondContact O-CG 3.26Å; L29-L33 PolarHBondContact O-N 3.44Å; F30-L33 PolarHBondContact O-N 3.37Å; L33-E36 PolarHBondContact O-N 3.48Å; L33-L37 WeakPolarHBondContact O-CB 3.29Å; L33-L37 PolarHBondContact O-N 3.36Å |
| 34 | E | 93.1 | Very high | 92.5 | Very high | 115 Ų | 115 | 90.4 Ų | 90.4 | 54% | 0.537 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 173 | -177.9 | 178.8 | -172 | 0 | 0 | 111.3 | F30 I32 E36 L37 Q38 | F30-E34 WeakPolarHBondContact O-CB 3.46Å; F30-E34 PolarHBondContact O-N 2.76Å; I32-E34 VanDerWaalsContact C-N 3.34Å; I32-E34 PolarHBondContact O-N 2.91Å; E34-E36 VanDerWaalsContact C-N 3.34Å; E34-E36 PolarHBondContact O-N 2.94Å; E34-L37 PolarHBondContact O-N 3.1Å; E34-Q38 WeakPolarHBondContact O-CG 3.31Å; E34-Q38 PolarHBondContact O-N 3.31Å |
| 35 | G | 95.1 | Very high | 92.8 | Very high | 34 Ų | 34 | 92.7 Ų | 92.7 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S31 I32 A39 | S31-G35 PolarHBondContact O-N 3.33Å; S31-G35 VanDerWaalsContact O-N 3.12Å; I32-G35 PolarHBondContact O-N 3.28Å; G35-A39 WeakPolarHBondContact O-CB 3.49Å; G35-A39 PolarHBondContact O-N 3.16Å |
| 36 | E | 93.9 | Very high | 93 | Very high | 83 Ų | 83 | 91.3 Ų | 91.3 | 39% | 0.388 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176 | -169.9 | -176 | 137 | 0 | 0 | 111.8 | I32 L33 E34 A39 R40 | I32-E36 PolarHBondContact O-N 2.86Å; L33-E36 PolarHBondContact O-N 3.48Å; E34-E36 VanDerWaalsContact C-N 3.34Å; E34-E36 PolarHBondContact O-N 2.94Å; E36-A39 PolarHBondContact O-N 3.44Å; E36-R40 WeakPolarHBondContact O-CG 3.23Å; E36-R40 PolarHBondContact O-N 3.16Å; E36-R40 IonicContact OE1-CZ 3.47Å; E36-R40 IonicContact OE1-NE 2.74Å; E36-R40 PolarHBondContact OE1-NE 3.35Å; E36-R40 IonicContact OE1-NH2 3.39Å; E36-R40 PolarHBondContact OE1-NH2 3.45Å |
| 37 | L | 94.9 | Very high | 93.3 | Very high | 104 Ų | 104 | 92.4 Ų | 92.4 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 177.3 | -172.9 | 67.9 | 0 | 0 | 0 | 111 | L33 E34 A39 R40 D41 | L33-L37 WeakPolarHBondContact O-CB 3.29Å; L33-L37 PolarHBondContact O-N 3.36Å; E34-L37 PolarHBondContact O-N 3.1Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 2.95Å; L37-R40 WeakPolarHBondContact O-CB 3.34Å; L37-R40 PolarHBondContact O-N 2.84Å; L37-R40 VanDerWaalsContact O-N 3.14Å; L37-D41 PolarHBondContact O-N 3.48Å |
| 38 | Q | 95.9 | Very high | 93.5 | Very high | 110 Ų | 110 | 94.7 Ų | 94.7 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 176.9 | -71.7 | 172.2 | -2.2 | 0 | 0 | 112 | E34 R40 D41 V42 | E34-Q38 WeakPolarHBondContact O-CG 3.31Å; E34-Q38 PolarHBondContact O-N 3.31Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 PolarHBondContact O-N 3.23Å; Q38-D41 PolarHBondContact O-N 2.88Å; Q38-V42 WeakPolarHBondContact O-CG2 3.42Å; Q38-V42 PolarHBondContact O-N 2.89Å; Q38-V42 VanDerWaalsContact O-N 3.14Å |
| 39 | A | 93.4 | Very high | 93.5 | Very high | 56 Ų | 56 | 91.8 Ų | 91.8 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G35 E36 L37 V42 V43 | G35-A39 WeakPolarHBondContact O-CB 3.49Å; G35-A39 PolarHBondContact O-N 3.16Å; E36-A39 PolarHBondContact O-N 3.44Å; L37-A39 VanDerWaalsContact C-N 3.33Å; L37-A39 PolarHBondContact O-N 2.95Å; A39-V42 PolarHBondContact O-N 3.34Å; A39-V43 WeakPolarHBondContact O-CG2 3.22Å; A39-V43 PolarHBondContact O-N 3.34Å |
| 40 | R | 93.9 | Very high | 93.6 | Very high | 147 Ų | 147 | 95 Ų | 95 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 175.3 | -71.1 | 173.1 | -179.5 | -153.2 | 2 | 111.8 | E36 L37 Q38 V42 V43 I44 | E36-R40 WeakPolarHBondContact O-CG 3.23Å; E36-R40 PolarHBondContact O-N 3.16Å; E36-R40 IonicContact OE1-CZ 3.47Å; E36-R40 IonicContact OE1-NE 2.74Å; E36-R40 PolarHBondContact OE1-NE 3.35Å; E36-R40 IonicContact OE1-NH2 3.39Å; E36-R40 PolarHBondContact OE1-NH2 3.45Å; L37-R40 WeakPolarHBondContact O-CB 3.34Å; L37-R40 PolarHBondContact O-N 2.84Å; L37-R40 VanDerWaalsContact O-N 3.14Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 PolarHBondContact O-N 3.23Å; R40-V42 VanDerWaalsContact C-N 3.34Å; R40-V42 PolarHBondContact O-N 2.89Å; R40-V43 PolarHBondContact O-N 3.2Å; R40-I44 VanDerWaalsContact O-CG1 3.3Å; R40-I44 WeakPolarHBondContact O-CG1 3.35Å; R40-I44 PolarHBondContact O-N 2.64Å |
| 41 | D | 94.4 | Very high | 93.6 | Very high | 90 Ų | 90 | 93.3 Ų | 93.3 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 177.8 | -74.7 | -25.8 | 0 | 0 | 0 | 111.6 | L37 Q38 V43 I44 E45 | L37-D41 PolarHBondContact O-N 3.48Å; Q38-D41 PolarHBondContact O-N 2.88Å; D41-V43 VanDerWaalsContact C-N 3.34Å; D41-V43 PolarHBondContact O-N 2.7Å; D41-I44 PolarHBondContact O-N 3.26Å; D41-E45 PolarHBondContact O-N 3.44Å |
| 42 | V | 94.6 | Very high | 93.4 | Very high | 96 Ų | 96 | 96.5 Ų | 96.5 | 58% | 0.582 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -42.4 | 175.2 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | Q38 A39 R40 E45 A46 | Q38-V42 WeakPolarHBondContact O-CG2 3.42Å; Q38-V42 PolarHBondContact O-N 2.89Å; Q38-V42 VanDerWaalsContact O-N 3.14Å; A39-V42 PolarHBondContact O-N 3.34Å; R40-V42 VanDerWaalsContact C-N 3.34Å; R40-V42 PolarHBondContact O-N 2.89Å; V42-E45 PolarHBondContact O-N 3.41Å; V42-A46 PolarHBondContact O-N 3.46Å |
| 43 | V | 95.7 | Very high | 93 | Very high | 83 Ų | 83 | 98 Ų | 98 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 177.9 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | A39 R40 D41 E45 A46 L47 | A39-V43 WeakPolarHBondContact O-CG2 3.22Å; A39-V43 PolarHBondContact O-N 3.34Å; R40-V43 PolarHBondContact O-N 3.2Å; D41-V43 VanDerWaalsContact C-N 3.34Å; D41-V43 PolarHBondContact O-N 2.7Å; V43-E45 VanDerWaalsContact C-N 3.31Å; V43-E45 PolarHBondContact O-N 2.86Å; V43-A46 PolarHBondContact O-N 3.02Å; V43-L47 HydrophobicContact CG1-CD1 3.92Å; V43-L47 HydrophobicContact CG1-CG 4.31Å; V43-L47 WeakPolarHBondContact O-CB 3.49Å; V43-L47 VanDerWaalsContact O-CG 3.3Å; V43-L47 WeakPolarHBondContact O-CG 3.38Å; V43-L47 PolarHBondContact O-N 3.35Å |
| 44 | I | 94.2 | Very high | 92.7 | Very high | 80 Ų | 80 | 98.4 Ų | 98.4 | 41% | 0.41 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 176.2 | -70.5 | 166 | 0 | 0 | 0 | 110.4 | R40 D41 L47 K48 | R40-I44 VanDerWaalsContact O-CG1 3.3Å; R40-I44 WeakPolarHBondContact O-CG1 3.35Å; R40-I44 PolarHBondContact O-N 2.64Å; D41-I44 PolarHBondContact O-N 3.26Å; I44-L47 PolarHBondContact O-N 2.96Å; I44-K48 HydrophobicContact CG2-CD 4.12Å; I44-K48 HydrophobicContact CG2-CG 4.46Å; I44-K48 WeakPolarHBondContact O-CB 3.34Å; I44-K48 VanDerWaalsContact O-CG 3.32Å; I44-K48 WeakPolarHBondContact O-CG 3.3Å; I44-K48 PolarHBondContact O-N 2.96Å |
| 45 | E | 95.6 | Very high | 92.3 | Very high | 141 Ų | 141 | 98.5 Ų | 98.5 | 66% | 0.659 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -45.9 | 176.1 | -171.9 | 171.3 | -168.3 | 0 | 0 | 111.6 | D41 V42 V43 L47 K48 A49 | D41-E45 PolarHBondContact O-N 3.44Å; V42-E45 PolarHBondContact O-N 3.41Å; V43-E45 VanDerWaalsContact C-N 3.31Å; V43-E45 PolarHBondContact O-N 2.86Å; E45-L47 PolarHBondContact O-N 3.29Å; E45-K48 PolarHBondContact O-N 3.3Å; E45-A49 PolarHBondContact O-N 3.44Å |
| 46 | A | 94 | Very high | 91.7 | Very high | 60 Ų | 60 | 100.5 Ų | 100.5 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V42 V43 A49 Q50 | V42-A46 PolarHBondContact O-N 3.46Å; V43-A46 PolarHBondContact O-N 3.02Å; A46-A49 PolarHBondContact O-N 2.97Å; A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 2.91Å |
| 47 | L | 93.9 | Very high | 91 | Very high | 90 Ų | 90 | 102.5 Ų | 102.5 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 177.1 | -72.4 | 172.4 | 0 | 0 | 0 | 111.9 | V43 I44 E45 A49 Q50 C51 | V43-L47 HydrophobicContact CG1-CD1 3.92Å; V43-L47 HydrophobicContact CG1-CG 4.31Å; V43-L47 WeakPolarHBondContact O-CB 3.49Å; V43-L47 VanDerWaalsContact O-CG 3.3Å; V43-L47 WeakPolarHBondContact O-CG 3.38Å; V43-L47 PolarHBondContact O-N 3.35Å; I44-L47 PolarHBondContact O-N 2.96Å; E45-L47 PolarHBondContact O-N 3.29Å; L47-A49 VanDerWaalsContact C-N 3.34Å; L47-Q50 PolarHBondContact O-N 3.14Å; L47-C51 WeakPolarHBondContact O-CB 3.41Å; L47-C51 PolarHBondContact O-N 2.92Å; L47-C51 PolarHBondContact O-SG 2.91Å; L47-C51 VanDerWaalsContact O-SG 3.35Å |
| 48 | K | 92.7 | Very high | 90.3 | Very high | 149 Ų | 149 | 104.7 Ų | 104.7 | 65% | 0.648 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 173.7 | -78.1 | 176.4 | 176.9 | 176.3 | 0 | 111.7 | I44 E45 C51 K52 | I44-K48 HydrophobicContact CG2-CD 4.12Å; I44-K48 HydrophobicContact CG2-CG 4.46Å; I44-K48 WeakPolarHBondContact O-CB 3.34Å; I44-K48 VanDerWaalsContact O-CG 3.32Å; I44-K48 WeakPolarHBondContact O-CG 3.3Å; I44-K48 PolarHBondContact O-N 2.96Å; E45-K48 PolarHBondContact O-N 3.3Å; K48-C51 PolarHBondContact O-N 3.31Å; K48-K52 WeakPolarHBondContact O-CB 3.43Å; K48-K52 PolarHBondContact O-N 3.46Å |
| 49 | A | 91.8 | Very high | 89.2 | Confident | 58 Ų | 58 | 104.7 Ų | 104.7 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E45 A46 L47 C51 K52 E53 | E45-A49 PolarHBondContact O-N 3.44Å; A46-A49 PolarHBondContact O-N 2.97Å; L47-A49 VanDerWaalsContact C-N 3.34Å; A49-C51 PolarHBondContact O-N 2.91Å; A49-K52 WeakPolarHBondContact O-CB 3.31Å; A49-K52 PolarHBondContact O-N 3.21Å; A49-E53 PolarHBondContact O-N 3.4Å |
| 50 | Q | 90.7 | Very high | 88 | Confident | 115 Ų | 115 | 109.3 Ų | 109.3 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 176.8 | -169.1 | 177.9 | 30.9 | 0 | 0 | 112.4 | A46 L47 K52 E53 L54 | A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 2.91Å; L47-Q50 PolarHBondContact O-N 3.14Å; Q50-K52 VanDerWaalsContact C-N 3.29Å; Q50-K52 PolarHBondContact O-N 3.01Å; Q50-E53 PolarHBondContact O-N 3.28Å; Q50-L54 HydrophobicContact CG-CD1 4.38Å; Q50-L54 WeakPolarHBondContact O-CB 3.39Å; Q50-L54 WeakPolarHBondContact O-CG 3.48Å; Q50-L54 PolarHBondContact O-N 2.73Å |
| 51 | C | 89.7 | Confident | 86.6 | Confident | 84 Ų | 84 | 104.2 Ų | 104.2 | 57% | 0.568 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62 | -38 | 174.2 | -73.4 | 0 | 0 | 0 | 0 | 112 | L47 K48 A49 F55 | L47-C51 WeakPolarHBondContact O-CB 3.41Å; L47-C51 PolarHBondContact O-N 2.92Å; L47-C51 PolarHBondContact O-SG 2.91Å; L47-C51 VanDerWaalsContact O-SG 3.35Å; K48-C51 PolarHBondContact O-N 3.31Å; A49-C51 PolarHBondContact O-N 2.91Å; C51-F55 VanDerWaalsContact O-CB 3.26Å; C51-F55 WeakPolarHBondContact O-CB 3.37Å; C51-F55 PolarHBondContact O-N 2.96Å |
| 52 | K | 88.5 | Confident | 85 | Confident | 143 Ų | 143 | 110.7 Ų | 110.7 | 62% | 0.622 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.4 | -43.8 | 176 | -172.6 | -178.2 | 177.8 | -175 | 0 | 111.7 | K48 A49 Q50 F55 I56 | K48-K52 WeakPolarHBondContact O-CB 3.43Å; K48-K52 PolarHBondContact O-N 3.46Å; A49-K52 WeakPolarHBondContact O-CB 3.31Å; A49-K52 PolarHBondContact O-N 3.21Å; Q50-K52 VanDerWaalsContact C-N 3.29Å; Q50-K52 PolarHBondContact O-N 3.01Å; K52-F55 PolarHBondContact O-N 3.21Å; K52-I56 HydrophobicContact CG-CD1 4.09Å; K52-I56 VanDerWaalsContact O-CG1 3.27Å; K52-I56 WeakPolarHBondContact O-CG1 3.31Å; K52-I56 PolarHBondContact O-N 2.92Å |
| 53 | E | 84.6 | Confident | 83.4 | Confident | 136 Ų | 136 | 114.4 Ų | 114.4 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.1 | -48.4 | 175.4 | -166 | 78.2 | -145.8 | 0 | 0 | 110.9 | A49 Q50 F55 I56 Q57 | A49-E53 PolarHBondContact O-N 3.4Å; Q50-E53 PolarHBondContact O-N 3.28Å; E53-F55 PolarHBondContact O-N 3.38Å; E53-I56 PolarHBondContact O-N 3.04Å; E53-Q57 WeakPolarHBondContact O-CB 3.39Å; E53-Q57 PolarHBondContact O-N 3.41Å |
| 54 | L | 85.1 | Confident | 81.6 | Confident | 93 Ų | 93 | 117 Ų | 117 | 49% | 0.487 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.5 | -42 | 177.5 | -73 | 173.8 | 0 | 0 | 0 | 112.2 | Q50 I56 Q57 E58 | Q50-L54 HydrophobicContact CG-CD1 4.38Å; Q50-L54 WeakPolarHBondContact O-CB 3.39Å; Q50-L54 WeakPolarHBondContact O-CG 3.48Å; Q50-L54 PolarHBondContact O-N 2.73Å; L54-I56 VanDerWaalsContact C-N 3.33Å; L54-I56 PolarHBondContact O-N 3.34Å; L54-Q57 PolarHBondContact O-N 2.93Å; L54-E58 WeakPolarHBondContact O-CB 3.34Å; L54-E58 PolarHBondContact O-N 2.89Å |
| 55 | F | 86.1 | Confident | 80.1 | Confident | 116 Ų | 116 | 121.4 Ų | 121.4 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.5 | -43.4 | 175.9 | 177 | -95.4 | 0 | 0 | 0 | 111.5 | C51 K52 E53 E58 H59 | C51-F55 VanDerWaalsContact O-CB 3.26Å; C51-F55 WeakPolarHBondContact O-CB 3.37Å; C51-F55 PolarHBondContact O-N 2.96Å; K52-F55 PolarHBondContact O-N 3.21Å; E53-F55 PolarHBondContact O-N 3.38Å; F55-E58 PolarHBondContact O-N 3.49Å; F55-H59 AromaticContact CD2-CD2 3.7Å; F55-H59 AromaticContact CE2-CD2 3.35Å; F55-H59 WeakPolarHBondContact CE2-CD2 3.41Å; F55-H59 AromaticContact CE2-NE2 3.45Å; F55-H59 WeakPolarHBondContact CE2-NE2 3.42Å; F55-H59 AromaticContact CZ-CD2 3.69Å; F55-H59 AromaticContact CZ-NE2 3.96Å; F55-H59 WeakPolarHBondContact O-CB 3.36Å; F55-H59 PolarHBondContact O-N 3.34Å; F55-H59 VanDerWaalsContact O-N 3.09Å |
| 56 | I | 81.6 | Confident | 78.5 | Confident | 77 Ų | 77 | 118.9 Ų | 118.9 | 40% | 0.395 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.7 | -43.7 | 175.9 | -67.3 | 166.4 | 0 | 0 | 0 | 110.3 | K52 E53 L54 E58 Y60 G61 | K52-I56 HydrophobicContact CG-CD1 4.09Å; K52-I56 VanDerWaalsContact O-CG1 3.27Å; K52-I56 WeakPolarHBondContact O-CG1 3.31Å; K52-I56 PolarHBondContact O-N 2.92Å; E53-I56 PolarHBondContact O-N 3.04Å; L54-I56 VanDerWaalsContact C-N 3.33Å; L54-I56 PolarHBondContact O-N 3.34Å; I56-E58 PolarHBondContact O-N 3.11Å; I56-Y60 HydrophobicContact CG2-CD2 4.38Å; I56-Y60 WeakPolarHBondContact O-CA 3.46Å; I56-Y60 VanDerWaalsContact O-CB 3.32Å; I56-Y60 WeakPolarHBondContact O-CB 3.42Å; I56-Y60 PolarHBondContact O-N 2.96Å; I56-G61 PolarHBondContact O-N 2.96Å |
| 57 | Q | 79.8 | Confident | 77 | Confident | 124 Ų | 124 | 119.7 Ų | 119.7 | 58% | 0.579 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.3 | -37.4 | 178.3 | -170.5 | 176.5 | 24.6 | 0 | 0 | 112.6 | E53 L54 G61 | E53-Q57 WeakPolarHBondContact O-CB 3.39Å; E53-Q57 PolarHBondContact O-N 3.41Å; L54-Q57 PolarHBondContact O-N 2.93Å; Q57-G61 WeakPolarHBondContact O-CA 3.46Å; Q57-G61 PolarHBondContact O-N 2.8Å |
| 58 | E | 79.8 | Confident | 75.7 | Confident | 151 Ų | 151 | 120.4 Ų | 120.4 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.2 | -43.3 | 179.2 | -170.8 | 177.2 | -176.7 | 0 | 0 | 111.9 | L54 F55 I56 | L54-E58 WeakPolarHBondContact O-CB 3.34Å; L54-E58 PolarHBondContact O-N 2.89Å; F55-E58 PolarHBondContact O-N 3.49Å; I56-E58 PolarHBondContact O-N 3.11Å |
| 59 | H | 72.4 | Confident | 74 | Confident | 109 Ų | 109 | 120.3 Ų | 120.3 | 51% | 0.505 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -82.6 | -31.1 | -177.9 | -83.3 | -82.2 | 0 | 0 | 0 | 114.1 | F55 | F55-H59 AromaticContact CD2-CD2 3.7Å; F55-H59 AromaticContact CE2-CD2 3.35Å; F55-H59 WeakPolarHBondContact CE2-CD2 3.41Å; F55-H59 AromaticContact CE2-NE2 3.45Å; F55-H59 WeakPolarHBondContact CE2-NE2 3.42Å; F55-H59 AromaticContact CZ-CD2 3.69Å; F55-H59 AromaticContact CZ-NE2 3.96Å; F55-H59 WeakPolarHBondContact O-CB 3.36Å; F55-H59 PolarHBondContact O-N 3.34Å; F55-H59 VanDerWaalsContact O-N 3.09Å |
| 60 | Y | 68.9 | Low | 72.7 | Confident | 153 Ų | 153 | 123.5 Ų | 123.5 | 60% | 0.6 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -124.1 | -14.1 | -173.5 | -57 | -80.7 | 0 | 0 | 0 | 113.9 | I56 R62 Y63 | I56-Y60 HydrophobicContact CG2-CD2 4.38Å; I56-Y60 WeakPolarHBondContact O-CA 3.46Å; I56-Y60 VanDerWaalsContact O-CB 3.32Å; I56-Y60 WeakPolarHBondContact O-CB 3.42Å; I56-Y60 PolarHBondContact O-N 2.96Å; Y60-R62 PolarHBondContact O-N 3.47Å; Y60-Y63 PolarHBondContact O-N 2.82Å |
| 61 | G | 65.1 | Low | 71.6 | Confident | 41 Ų | 41 | 120.1 Ų | 120.1 | 42% | 0.423 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.5 | -5.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | I56 Q57 Y63 | I56-G61 PolarHBondContact O-N 2.96Å; Q57-G61 WeakPolarHBondContact O-CA 3.46Å; Q57-G61 PolarHBondContact O-N 2.8Å; G61-Y63 VanDerWaalsContact C-N 3.27Å |
| 62 | R | 60.9 | Low | 70.5 | Confident | 226 Ų | 226 | 122.2 Ų | 122.2 | 85% | 0.853 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -8.9 | 168.2 | -67.7 | -141.9 | -67.7 | -137.5 | -1.7 | 113.9 | Y60 N64 | Y60-R62 PolarHBondContact O-N 3.47Å; R62-N64 PolarHBondContact O-N 2.93Å |
| 63 | Y | 59.8 | Low | 69.5 | Low | 174 Ų | 174 | 120.3 Ų | 120.3 | 68% | 0.682 | 59% | 0.593 | S | S | * | * | trans | -92.5 | 84.7 | 169.5 | -59.4 | -79.7 | 0 | 0 | 0 | 108.2 | Y60 G61 L65 | Y60-Y63 PolarHBondContact O-N 2.82Å; G61-Y63 VanDerWaalsContact C-N 3.27Å; Y63-L65 PolarHBondContact O-N 3.12Å | ||
| 64 | N | 59.3 | Low | 68.7 | Low | 138 Ų | 138 | 121 Ų | 121 | 74% | 0.738 | 59% | 0.59 | S | S | * | * | trans | -61.8 | 110 | 154.8 | -86.3 | -47.1 | 0 | 0 | 0 | 105.6 | R62 S66 | R62-N64 PolarHBondContact O-N 2.93Å; N64-S66 PolarHBondContact O-N 3.26Å | ||
| 65 | L | 62.9 | Low | 67.8 | Low | 171 Ų | 171 | 120.7 Ų | 120.7 | 90% | 0.895 | 59% | 0.589 | S | S | * | * | trans | -69.9 | 48.6 | 167.4 | -64 | 171.8 | 0 | 0 | 0 | 109.6 | Y63 D67 | Y63-L65 PolarHBondContact O-N 3.12Å; L65-D67 PolarHBondContact O-N 3.37Å; L65-D67 VanDerWaalsContact O-N 3.16Å | ||
| 66 | S | 61.4 | Low | 66.7 | Low | 89 Ų | 89 | 118.5 Ų | 118.5 | 62% | 0.622 | 59% | 0.588 | S | S | * | * | trans | -73.7 | 105.3 | 170.1 | -66.5 | 0 | 0 | 0 | 0 | 106.9 | N64 | N64-S66 PolarHBondContact O-N 3.26Š| ||
| 67 | D | 63.1 | Low | 65.8 | Low | 76 Ų | 76 | 120.6 Ų | 120.6 | 41% | 0.406 | 60% | 0.596 | S | S | . | * | trans | 47.6 | 105.4 | 162.7 | -166.1 | 15.5 | 0 | 0 | 0 | 116.8 | L65 F69 H70 | L65-D67 PolarHBondContact O-N 3.37Å; L65-D67 VanDerWaalsContact O-N 3.16Å; D67-F69 PolarHBondContact O-N 3.08Å; D67-F69 VanDerWaalsContact OD1-CD2 3.31Å; D67-F69 WeakPolarHBondContact OD1-CD2 3.32Å; D67-F69 PolarHBondContact OD1-N 2.64Å; D67-H70 PolarHBondContact O-N 3.18Å; D67-H70 IonicContact OD2-ND1 3.72Å | ||
| 68 | P | 64.6 | Low | 64.9 | Low | 106 Ų | 106 | 121.1 Ų | 121.1 | 69% | 0.688 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -54.5 | -18.1 | 178.9 | 18.9 | -29.6 | 0 | 0 | 0 | 114.5 | L72 | P68-L72 PolarHBondContact O-N 3.49Å |
| 69 | F | 57.8 | Low | 63.9 | Low | 147 Ų | 147 | 120.4 Ų | 120.4 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.3 | -32.8 | 173.9 | -72.5 | -85.7 | 0 | 0 | 0 | 114 | D67 L72 Q73 | D67-F69 PolarHBondContact O-N 3.08Å; D67-F69 VanDerWaalsContact OD1-CD2 3.31Å; D67-F69 WeakPolarHBondContact OD1-CD2 3.32Å; D67-F69 PolarHBondContact OD1-N 2.64Å; F69-L72 PolarHBondContact O-N 2.97Å; F69-Q73 WeakPolarHBondContact O-CB 3.41Å; F69-Q73 PolarHBondContact O-N 3.44Å |
| 70 | H | 64.9 | Low | 63.2 | Low | 125 Ų | 125 | 117.7 Ų | 117.7 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.4 | -29.1 | 177.8 | -83.7 | 62.1 | 0 | 0 | 0 | 112.9 | D67 R74 | D67-H70 PolarHBondContact O-N 3.18Å; D67-H70 IonicContact OD2-ND1 3.72Å; H70-R74 PolarHBondContact O-N 2.89Å |
| 71 | A | 66.9 | Low | 62 | Low | 44 Ų | 44 | 113.5 Ų | 113.5 | 36% | 0.364 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.8 | -42.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q73 D75 | A71-Q73 VanDerWaalsContact C-N 3.33Å; A71-Q73 PolarHBondContact O-N 3.33Å; A71-D75 PolarHBondContact O-N 2.91Å |
| 72 | L | 67.8 | Low | 61.6 | Low | 127 Ų | 127 | 117.7 Ų | 117.7 | 67% | 0.665 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.6 | -34.4 | 176.6 | -128.7 | 84.5 | 0 | 0 | 0 | 112.5 | P68 F69 D75 S76 | P68-L72 PolarHBondContact O-N 3.49Å; F69-L72 PolarHBondContact O-N 2.97Å; L72-D75 PolarHBondContact O-N 3.23Å; L72-S76 WeakPolarHBondContact O-CB 3.23Å; L72-S76 PolarHBondContact O-N 2.93Å |
| 73 | Q | 66.4 | Low | 60.6 | Low | 103 Ų | 103 | 114.5 Ų | 114.5 | 48% | 0.481 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67.1 | -42.8 | 178.7 | -170.3 | 160.5 | -7.4 | 0 | 0 | 112.2 | F69 A71 D75 S76 E77 | F69-Q73 WeakPolarHBondContact O-CB 3.41Å; F69-Q73 PolarHBondContact O-N 3.44Å; A71-Q73 VanDerWaalsContact C-N 3.33Å; A71-Q73 PolarHBondContact O-N 3.33Å; Q73-D75 VanDerWaalsContact C-N 3.3Å; Q73-D75 PolarHBondContact O-N 3.06Å; Q73-S76 PolarHBondContact O-N 3.02Å; Q73-S76 PolarHBondContact O-OG 3.41Å; Q73-E77 WeakPolarHBondContact O-CG 3.46Å; Q73-E77 PolarHBondContact O-N 3.44Å; Q73-E77 VanDerWaalsContact O-N 3.13Å |
| 74 | R | 69.3 | Low | 60.1 | Low | 150 Ų | 150 | 115.4 Ų | 115.4 | 57% | 0.566 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -57.5 | -42.2 | 170.7 | -89.4 | -166.4 | -52 | 108.5 | 12.2 | 112.6 | H70 S76 E77 I78 | H70-R74 PolarHBondContact O-N 2.89Å; R74-S76 VanDerWaalsContact C-N 3.33Å; R74-E77 PolarHBondContact O-N 2.9Å; R74-I78 WeakPolarHBondContact O-CG1 3.46Å; R74-I78 PolarHBondContact O-N 3.33Å |
| 75 | D | 65.8 | Low | 58.9 | Low | 87 Ų | 87 | 117 Ų | 117 | 47% | 0.465 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.3 | -30.6 | -176.7 | -66.3 | -11.1 | 0 | 0 | 0 | 111.2 | A71 L72 Q73 I78 V79 | A71-D75 PolarHBondContact O-N 2.91Å; L72-D75 PolarHBondContact O-N 3.23Å; Q73-D75 VanDerWaalsContact C-N 3.3Å; Q73-D75 PolarHBondContact O-N 3.06Å; D75-I78 PolarHBondContact O-N 3.29Å; D75-V79 PolarHBondContact O-N 3.33Å |
| 76 | S | 62.7 | Low | 58.4 | Low | 70 Ų | 70 | 114.4 Ų | 114.4 | 49% | 0.49 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.1 | -34.9 | 172.3 | 79.5 | 0 | 0 | 0 | 0 | 113.2 | L72 Q73 R74 V79 G80 | L72-S76 WeakPolarHBondContact O-CB 3.23Å; L72-S76 PolarHBondContact O-N 2.93Å; Q73-S76 PolarHBondContact O-N 3.02Å; Q73-S76 PolarHBondContact O-OG 3.41Å; R74-S76 VanDerWaalsContact C-N 3.33Å; S76-V79 PolarHBondContact O-N 2.98Å; S76-G80 PolarHBondContact O-N 2.9Å |
| 77 | E | 62.5 | Low | 57.7 | Low | 121 Ų | 121 | 114 Ų | 114 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.9 | -27.2 | 178.7 | -72.2 | 169.9 | -171.8 | 0 | 0 | 112.7 | Q73 R74 | Q73-E77 WeakPolarHBondContact O-CG 3.46Å; Q73-E77 PolarHBondContact O-N 3.44Å; Q73-E77 VanDerWaalsContact O-N 3.13Å; R74-E77 PolarHBondContact O-N 2.9Å |
| 78 | I | 60.6 | Low | 56.5 | Low | 136 Ų | 136 | 122.2 Ų | 122.2 | 70% | 0.697 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -78.4 | -30.3 | 176.1 | -66.3 | 167.7 | 0 | 0 | 0 | 111.7 | R74 D75 | R74-I78 WeakPolarHBondContact O-CG1 3.46Å; R74-I78 PolarHBondContact O-N 3.33Å; D75-I78 PolarHBondContact O-N 3.29Å |
| 79 | V | 59.1 | Low | 55.4 | Low | 136 Ų | 136 | 122.7 Ų | 122.7 | 82% | 0.824 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -85.2 | -25.7 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | D75 S76 | D75-V79 PolarHBondContact O-N 3.33Å; S76-V79 PolarHBondContact O-N 2.98Å |
| 80 | G | 57 | Low | 54.8 | Low | 52 Ų | 52 | 120.3 Ų | 120.3 | 54% | 0.536 | 68% | 0.678 | S | S | . | * | trans | -108.5 | 61.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | S76 | S76-G80 PolarHBondContact O-N 2.9Š| ||
| 81 | G | 45 | Very low | 54.1 | Low | 65 Ų | 65 | 119.8 Ų | 119.8 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | trans | -74.6 | 125.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N83 | G81-N83 PolarHBondContact O-N 3.34Š| ||
| 82 | P | 55.4 | Low | 53.3 | Low | 128 Ų | 128 | 124.2 Ų | 124.2 | 83% | 0.831 | 71% | 0.708 | S | S | * | * | trans | -83.6 | 118.8 | 179.9 | 32.7 | -29.3 | 0 | 0 | 0 | 109.5 | ||||
| 83 | N | 41.3 | Very low | 52.9 | Low | 159 Ų | 159 | 121.8 Ų | 121.8 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | trans | -136.2 | 90.6 | 166 | -130.3 | -25.5 | 0 | 0 | 0 | 109.4 | G81 | G81-N83 PolarHBondContact O-N 3.34Š| ||
| 84 | K | 48.5 | Very low | 53 | Low | 194 Ų | 194 | 121 Ų | 121 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | trans | -85.3 | 112.8 | 155.8 | -83.3 | -178.8 | 174.3 | 178.8 | 0 | 106.5 | ||||
| 85 | E | 34.9 | Very low | 53.3 | Low | 172 Ų | 172 | 118.9 Ų | 118.9 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -165 | 138.1 | 140.5 | -89.2 | -45.2 | 127.1 | 0 | 0 | 108.3 | ||||
| 86 | P | 51 | Low | 54.2 | Low | 116 Ų | 116 | 119.9 Ų | 119.9 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | trans | -91.6 | 135.8 | -172 | 34.7 | -26.8 | 0 | 0 | 0 | 111.4 | ||||
| 87 | G | 47.1 | Very low | 55.2 | Low | 80 Ų | 80 | 121.1 Ų | 121.1 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | trans | 97.9 | 81.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 88 | R | 37.2 | Very low | 56.3 | Low | 248 Ų | 248 | 118.6 Ų | 118.6 | 94% | 0.936 | 71% | 0.709 | S | S | * | * | trans | -152.7 | 118 | 140 | -136.6 | 173.9 | -165.5 | -102.3 | 2.6 | 109.3 | S90 | R88-S90 PolarHBondContact O-N 3.37Š| ||
| 89 | S | 41.9 | Very low | 57.6 | Low | 116 Ų | 116 | 117.2 Ų | 117.2 | 81% | 0.811 | 70% | 0.702 | S | S | * | * | trans | -52.1 | 114.1 | 179.1 | 36.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 90 | S | 46 | Very low | 59.1 | Low | 98 Ų | 98 | 118.3 Ų | 118.3 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | trans | -69.8 | 131.9 | 150.3 | 59.5 | 0 | 0 | 0 | 0 | 106.6 | R88 T92 | R88-S90 PolarHBondContact O-N 3.37Å; S90-T92 PolarHBondContact O-N 3.35Å; S90-T92 VanDerWaalsContact O-N 3.1Å | ||
| 91 | P | 49.6 | Very low | 60.7 | Low | 113 Ų | 113 | 121.7 Ų | 121.7 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | -61 | 124.2 | 169.6 | 26.7 | -29.4 | 0 | 0 | 0 | 105.1 | S93 | P91-S93 PolarHBondContact O-N 2.91Š| ||
| 92 | T | 49.5 | Very low | 63 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | trans | -55.7 | 91.4 | 164.7 | 51.1 | 0 | 0 | 0 | 0 | 106.2 | S90 N94 | S90-T92 PolarHBondContact O-N 3.35Å; S90-T92 VanDerWaalsContact O-N 3.1Å; T92-N94 PolarHBondContact O-N 3.36Å | ||
| 93 | S | 59.4 | Low | 64.9 | Low | 76 Ų | 76 | 119.6 Ų | 119.6 | 53% | 0.531 | 67% | 0.672 | S | S | . | * | trans | -56.8 | 118.9 | 179 | 55.6 | 0 | 0 | 0 | 0 | 105.5 | P91 P95 V98 | P91-S93 PolarHBondContact O-N 2.91Å; S93-P95 WeakPolarHBondContact O-CD 3.48Å; S93-V98 WeakPolarHBondContact OG-CG2 3.26Å | ||
| 94 | N | 69.8 | Low | 67.3 | Low | 88 Ų | 88 | 114.3 Ų | 114.3 | 47% | 0.471 | 65% | 0.648 | S | S | . | * | trans | -48.8 | 120.3 | -179.7 | -179.3 | -38.4 | 0 | 0 | 0 | 107.9 | T92 L96 V97 | T92-N94 PolarHBondContact O-N 3.36Å; N94-L96 PolarHBondContact O-N 3.38Å; N94-L96 WeakPolarHBondContact OD1-CB 3.47Å; N94-L96 PolarHBondContact OD1-N 2.97Å; N94-L96 VanDerWaalsContact OD1-N 3.08Å; N94-V97 HydrophobicContact CB-CG2 4.1Å; N94-V97 WeakPolarHBondContact O-CB 3.38Å; N94-V97 PolarHBondContact O-N 3.5Å | ||
| 95 | P | 75.9 | Confident | 69.5 | Low | 104 Ų | 104 | 110.5 Ų | 110.5 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -57.3 | -24.5 | -170.6 | 20.3 | -32.7 | 0 | 0 | 0 | 112.6 | S93 L99 | S93-P95 WeakPolarHBondContact O-CD 3.48Å; P95-L99 WeakPolarHBondContact O-CB 3.06Å; P95-L99 PolarHBondContact O-N 2.84Å |
| 96 | L | 83.6 | Confident | 72.3 | Confident | 109 Ų | 109 | 105.8 Ų | 105.8 | 57% | 0.571 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.8 | -32.5 | 174.7 | -65.1 | 169.9 | 0 | 0 | 0 | 113.6 | N94 K100 | N94-L96 PolarHBondContact O-N 3.38Å; N94-L96 WeakPolarHBondContact OD1-CB 3.47Å; N94-L96 PolarHBondContact OD1-N 2.97Å; N94-L96 VanDerWaalsContact OD1-N 3.08Å; L96-K100 WeakPolarHBondContact O-CB 3.48Å; L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.5Å; L96-K100 PolarHBondContact O-N 3.39Å |
| 97 | V | 84.5 | Confident | 74.4 | Confident | 96 Ų | 96 | 107.5 Ų | 107.5 | 58% | 0.582 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.8 | -42.8 | 178.6 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | N94 K100 L101 | N94-V97 HydrophobicContact CB-CG2 4.1Å; N94-V97 WeakPolarHBondContact O-CB 3.38Å; N94-V97 PolarHBondContact O-N 3.5Å; V97-K100 PolarHBondContact O-N 3.35Å; V97-L101 PolarHBondContact O-N 3.45Å |
| 98 | V | 85.1 | Confident | 76.7 | Confident | 68 Ų | 68 | 109.5 Ų | 109.5 | 41% | 0.412 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.1 | -44.6 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | S93 K100 L101 V102 | S93-V98 WeakPolarHBondContact OG-CG2 3.26Å; V98-K100 PolarHBondContact O-N 2.89Å; V98-L101 WeakPolarHBondContact O-CB 3.39Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-V102 HydrophobicContact CG1-CG2 4.49Å; V98-V102 WeakPolarHBondContact O-CG2 3.46Å; V98-V102 PolarHBondContact O-N 3.15Å |
| 99 | L | 88.3 | Confident | 79.5 | Confident | 107 Ų | 107 | 102.7 Ų | 102.7 | 56% | 0.56 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.2 | -43.1 | 177.3 | -172.5 | 63.9 | 0 | 0 | 0 | 112.5 | P95 L101 V102 V103 | P95-L99 WeakPolarHBondContact O-CB 3.06Å; P95-L99 PolarHBondContact O-N 2.84Å; L99-L101 VanDerWaalsContact C-N 3.31Å; L99-L101 PolarHBondContact O-N 2.94Å; L99-V102 PolarHBondContact O-N 3.17Å; L99-V103 WeakPolarHBondContact O-CB 3.42Å; L99-V103 VanDerWaalsContact O-CG2 3.32Å; L99-V103 WeakPolarHBondContact O-CG2 3.41Å; L99-V103 PolarHBondContact O-N 2.97Å |
| 100 | K | 89.4 | Confident | 82.1 | Confident | 158 Ų | 158 | 103.4 Ų | 103.4 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.5 | -38.4 | 174.7 | -78.6 | 178.2 | 179.4 | -177.1 | 0 | 112.3 | L96 V97 V98 S104 | L96-K100 WeakPolarHBondContact O-CB 3.48Å; L96-K100 VanDerWaalsContact O-CG 3.3Å; L96-K100 WeakPolarHBondContact O-CG 3.5Å; L96-K100 PolarHBondContact O-N 3.39Å; V97-K100 PolarHBondContact O-N 3.35Å; V98-K100 PolarHBondContact O-N 2.89Å; K100-S104 VanDerWaalsContact O-CB 3.25Å; K100-S104 WeakPolarHBondContact O-CB 3.41Å; K100-S104 PolarHBondContact O-N 3.44Å |
| 101 | L | 91.8 | Very high | 84.5 | Confident | 124 Ų | 124 | 104.2 Ų | 104.2 | 65% | 0.649 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.6 | -43.9 | 176.1 | -174.6 | 63.4 | 0 | 0 | 0 | 111.3 | V97 V98 L99 S104 H105 | V97-L101 PolarHBondContact O-N 3.45Å; V98-L101 WeakPolarHBondContact O-CB 3.39Å; V98-L101 PolarHBondContact O-N 2.98Å; L99-L101 VanDerWaalsContact C-N 3.31Å; L99-L101 PolarHBondContact O-N 2.94Å; L101-S104 PolarHBondContact O-N 3.07Å; L101-H105 VanDerWaalsContact O-CB 3.3Å; L101-H105 WeakPolarHBondContact O-CB 3.35Å; L101-H105 PolarHBondContact O-N 2.84Å |
| 102 | V | 93.3 | Very high | 86.8 | Confident | 74 Ų | 74 | 105.6 Ų | 105.6 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63 | -46.9 | 175.9 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | V98 L99 S104 H105 C106 | V98-V102 HydrophobicContact CG1-CG2 4.49Å; V98-V102 WeakPolarHBondContact O-CG2 3.46Å; V98-V102 PolarHBondContact O-N 3.15Å; L99-V102 PolarHBondContact O-N 3.17Å; V102-S104 VanDerWaalsContact C-N 3.34Å; V102-S104 PolarHBondContact O-N 3.07Å; V102-H105 CarbonylContact O-C 3.59Å; V102-H105 WeakPolarHBondContact O-CB 3.41Å; V102-H105 PolarHBondContact O-N 3Å; V102-H105 VanDerWaalsContact O-N 3.14Å; V102-C106 WeakPolarHBondContact O-CB 3.44Å; V102-C106 PolarHBondContact O-N 3.29Å; V102-C106 PolarHBondContact O-SG 3Å |
| 103 | V | 94 | Very high | 89 | Confident | 74 Ų | 74 | 104.1 Ų | 104.1 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176.7 | 171 | 0 | 0 | 0 | 0 | 111.6 | L99 H105 C106 R107 | L99-V103 WeakPolarHBondContact O-CB 3.42Å; L99-V103 VanDerWaalsContact O-CG2 3.32Å; L99-V103 WeakPolarHBondContact O-CG2 3.41Å; L99-V103 PolarHBondContact O-N 2.97Å; V103-H105 VanDerWaalsContact C-N 3.35Å; V103-C106 PolarHBondContact O-N 2.74Å; V103-R107 WeakPolarHBondContact O-CB 3.49Å; V103-R107 PolarHBondContact O-N 3.35Å |
| 104 | S | 93.6 | Very high | 90.8 | Very high | 48 Ų | 48 | 106.2 Ų | 106.2 | 34% | 0.336 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 174.4 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | K100 L101 V102 R107 K108 | K100-S104 VanDerWaalsContact O-CB 3.25Å; K100-S104 WeakPolarHBondContact O-CB 3.41Å; K100-S104 PolarHBondContact O-N 3.44Å; L101-S104 PolarHBondContact O-N 3.07Å; V102-S104 VanDerWaalsContact C-N 3.34Å; V102-S104 PolarHBondContact O-N 3.07Å; S104-R107 PolarHBondContact O-N 3.34Å; S104-K108 WeakPolarHBondContact O-CG 3.43Å; S104-K108 PolarHBondContact O-N 2.83Å |
| 105 | H | 93.4 | Very high | 92.1 | Very high | 115 Ų | 115 | 105 Ų | 105 | 53% | 0.532 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -46.8 | 176.3 | -173.9 | 73.4 | 0 | 0 | 0 | 111.9 | L101 V102 V103 R107 K108 M109 | L101-H105 VanDerWaalsContact O-CB 3.3Å; L101-H105 WeakPolarHBondContact O-CB 3.35Å; L101-H105 PolarHBondContact O-N 2.84Å; V102-H105 CarbonylContact O-C 3.59Å; V102-H105 WeakPolarHBondContact O-CB 3.41Å; V102-H105 PolarHBondContact O-N 3Å; V102-H105 VanDerWaalsContact O-N 3.14Å; V103-H105 VanDerWaalsContact C-N 3.35Å; H105-R107 VanDerWaalsContact C-N 3.34Å; H105-R107 PolarHBondContact O-N 3.48Å; H105-K108 PolarHBondContact O-N 3.19Å; H105-M109 WeakPolarHBondContact O-CB 3.47Å; H105-M109 PolarHBondContact O-N 3.17Å |
| 106 | C | 94.1 | Very high | 93.1 | Very high | 72 Ų | 72 | 106.6 Ų | 106.6 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 175 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | V102 V103 M109 Q110 | V102-C106 WeakPolarHBondContact O-CB 3.44Å; V102-C106 PolarHBondContact O-N 3.29Å; V102-C106 PolarHBondContact O-SG 3Å; V103-C106 PolarHBondContact O-N 2.74Å; C106-M109 PolarHBondContact O-N 3.03Å; C106-Q110 WeakPolarHBondContact O-CB 3.31Å; C106-Q110 PolarHBondContact O-N 3.2Å |
| 107 | R | 95.6 | Very high | 93.8 | Very high | 153 Ų | 153 | 106.5 Ų | 106.5 | 58% | 0.577 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -48.4 | 176.2 | -173.5 | 179.9 | -61.9 | -177 | -0.7 | 112 | V103 S104 H105 M109 Q110 E111 | V103-R107 WeakPolarHBondContact O-CB 3.49Å; V103-R107 PolarHBondContact O-N 3.35Å; S104-R107 PolarHBondContact O-N 3.34Å; H105-R107 VanDerWaalsContact C-N 3.34Å; H105-R107 PolarHBondContact O-N 3.48Å; R107-M109 VanDerWaalsContact C-N 3.28Å; R107-M109 PolarHBondContact O-N 2.84Å; R107-Q110 WeakPolarHBondContact O-CB 3.3Å; R107-Q110 PolarHBondContact O-N 3.38Å; R107-E111 WeakPolarHBondContact O-CG 3.49Å; R107-E111 PolarHBondContact O-N 3.02Å |
| 108 | K | 95.8 | Very high | 94.4 | Very high | 121 Ų | 121 | 104.4 Ų | 104.4 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -36.4 | 176.1 | -72.2 | 174.8 | -176.5 | 179.7 | 0 | 112.2 | S104 H105 K112 | S104-K108 WeakPolarHBondContact O-CG 3.43Å; S104-K108 PolarHBondContact O-N 2.83Å; H105-K108 PolarHBondContact O-N 3.19Å; K108-K112 WeakPolarHBondContact O-CB 3.29Å; K108-K112 VanDerWaalsContact O-CG 3.29Å; K108-K112 WeakPolarHBondContact O-CG 3.47Å; K108-K112 PolarHBondContact O-N 3.27Å |
| 109 | M | 96.1 | Very high | 95 | Very high | 106 Ų | 106 | 103.6 Ų | 103.6 | 52% | 0.522 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 174.8 | -173.8 | 66.9 | 79.5 | 0 | 0 | 111.1 | H105 C106 R107 E111 K112 M113 | H105-M109 WeakPolarHBondContact O-CB 3.47Å; H105-M109 PolarHBondContact O-N 3.17Å; C106-M109 PolarHBondContact O-N 3.03Å; R107-M109 VanDerWaalsContact C-N 3.28Å; R107-M109 PolarHBondContact O-N 2.84Å; M109-E111 PolarHBondContact O-N 2.93Å; M109-K112 PolarHBondContact O-N 2.9Å; M109-M113 WeakPolarHBondContact O-CB 3.39Å; M109-M113 PolarHBondContact O-N 3.4Å |
| 110 | Q | 96 | Very high | 95.4 | Very high | 130 Ų | 130 | 99.7 Ų | 99.7 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.2 | -43.9 | 176.8 | -176.2 | -177.4 | 5.2 | 0 | 0 | 111.8 | C106 R107 M113 L114 | C106-Q110 WeakPolarHBondContact O-CB 3.31Å; C106-Q110 PolarHBondContact O-N 3.2Å; R107-Q110 WeakPolarHBondContact O-CB 3.3Å; R107-Q110 PolarHBondContact O-N 3.38Å; Q110-M113 PolarHBondContact O-N 3.31Å; Q110-L114 WeakPolarHBondContact O-CB 3.31Å; Q110-L114 PolarHBondContact O-N 2.84Å |
| 111 | E | 96.4 | Very high | 95.8 | Very high | 116 Ų | 116 | 97.3 Ų | 97.3 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 175.9 | -73.4 | 167 | -173 | 0 | 0 | 111.8 | R107 M109 L114 A115 | R107-E111 WeakPolarHBondContact O-CG 3.49Å; R107-E111 PolarHBondContact O-N 3.02Å; M109-E111 PolarHBondContact O-N 2.93Å; E111-L114 PolarHBondContact O-N 3.21Å; E111-A115 WeakPolarHBondContact O-CB 3.39Å; E111-A115 PolarHBondContact O-N 3Å |
| 112 | K | 96.6 | Very high | 96.1 | Very high | 141 Ų | 141 | 94 Ų | 94 | 61% | 0.613 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.9 | -43.3 | 175.4 | -75.5 | 177.4 | 179.9 | -174 | 0 | 112.1 | K108 M109 A115 Q116 | K108-K112 WeakPolarHBondContact O-CB 3.29Å; K108-K112 VanDerWaalsContact O-CG 3.29Å; K108-K112 WeakPolarHBondContact O-CG 3.47Å; K108-K112 PolarHBondContact O-N 3.27Å; M109-K112 PolarHBondContact O-N 2.9Å; K112-A115 PolarHBondContact O-N 3.35Å; K112-Q116 WeakPolarHBondContact O-CB 3.33Å; K112-Q116 VanDerWaalsContact O-CG 3.32Å; K112-Q116 WeakPolarHBondContact O-CG 3.48Å; K112-Q116 PolarHBondContact O-N 2.88Å |
| 113 | M | 96.9 | Very high | 96.4 | Very high | 107 Ų | 107 | 98.3 Ų | 98.3 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 177.4 | -176.4 | 178.8 | 68.3 | 0 | 0 | 110.7 | M109 Q110 Q116 L117 | M109-M113 WeakPolarHBondContact O-CB 3.39Å; M109-M113 PolarHBondContact O-N 3.4Å; Q110-M113 PolarHBondContact O-N 3.31Å; M113-Q116 PolarHBondContact O-N 3Å; M113-L117 HydrophobicContact CG-CD1 4.29Å; M113-L117 WeakPolarHBondContact O-CG 3.33Å; M113-L117 PolarHBondContact O-N 2.99Å |
| 114 | L | 96.8 | Very high | 96.6 | Very high | 119 Ų | 119 | 100.8 Ų | 100.8 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.4 | -43.4 | 177 | -172.4 | 67.6 | 0 | 0 | 0 | 111.8 | Q110 E111 Q116 L117 A118 | Q110-L114 WeakPolarHBondContact O-CB 3.31Å; Q110-L114 PolarHBondContact O-N 2.84Å; E111-L114 PolarHBondContact O-N 3.21Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-Q116 PolarHBondContact O-N 3.31Å; L114-L117 PolarHBondContact O-N 3.39Å; L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 3.33Å |
| 115 | A | 97.1 | Very high | 96.8 | Very high | 62 Ų | 62 | 105.5 Ų | 105.5 | 51% | 0.512 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -39.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E111 K112 A119 | E111-A115 WeakPolarHBondContact O-CB 3.39Å; E111-A115 PolarHBondContact O-N 3Å; K112-A115 PolarHBondContact O-N 3.35Å; A115-A119 VanDerWaalsContact O-CB 3.32Å; A115-A119 WeakPolarHBondContact O-CB 3.46Å; A115-A119 PolarHBondContact O-N 3.38Å |
| 116 | Q | 97.4 | Very high | 97 | Very high | 139 Ų | 139 | 107.7 Ų | 107.7 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.4 | -41.2 | 174.8 | -76.9 | -178.5 | -17 | 0 | 0 | 112.2 | K112 M113 L114 A119 A120 | K112-Q116 WeakPolarHBondContact O-CB 3.33Å; K112-Q116 VanDerWaalsContact O-CG 3.32Å; K112-Q116 WeakPolarHBondContact O-CG 3.48Å; K112-Q116 PolarHBondContact O-N 2.88Å; M113-Q116 PolarHBondContact O-N 3Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-Q116 PolarHBondContact O-N 3.31Å; Q116-A119 PolarHBondContact O-N 3.07Å; Q116-A120 WeakPolarHBondContact O-CB 3.48Å; Q116-A120 PolarHBondContact O-N 3.31Å |
| 117 | L | 97.1 | Very high | 97.2 | Very high | 106 Ų | 106 | 108.1 Ų | 108.1 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.8 | -46.5 | 174.8 | -73.2 | 171.8 | 0 | 0 | 0 | 111.1 | M113 L114 A119 A120 E121 | M113-L117 HydrophobicContact CG-CD1 4.29Å; M113-L117 WeakPolarHBondContact O-CG 3.33Å; M113-L117 PolarHBondContact O-N 2.99Å; L114-L117 PolarHBondContact O-N 3.39Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 2.86Å; L117-A120 PolarHBondContact O-N 3.47Å; L117-E121 WeakPolarHBondContact O-CB 3.46Å; L117-E121 PolarHBondContact O-N 3.24Å |
| 118 | A | 97.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 105.2 Ų | 105.2 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L114 S122 | L114-A118 WeakPolarHBondContact O-CB 3.48Å; L114-A118 PolarHBondContact O-N 3.33Å; A118-S122 WeakPolarHBondContact O-CB 3.5Å; A118-S122 PolarHBondContact O-N 2.96Å |
| 119 | A | 97.5 | Very high | 97.4 | Very high | 51 Ų | 51 | 101.8 Ų | 101.8 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A115 Q116 L117 R123 | A115-A119 VanDerWaalsContact O-CB 3.32Å; A115-A119 WeakPolarHBondContact O-CB 3.46Å; A115-A119 PolarHBondContact O-N 3.38Å; Q116-A119 PolarHBondContact O-N 3.07Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-A119 PolarHBondContact O-N 2.86Å; A119-R123 WeakPolarHBondContact O-CG 3.43Å; A119-R123 PolarHBondContact O-N 2.68Å |
| 120 | A | 98 | Very high | 97.5 | Very high | 25 Ų | 25 | 100.9 Ų | 100.9 | 21% | 0.207 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q116 L117 S122 R123 H124 | Q116-A120 WeakPolarHBondContact O-CB 3.48Å; Q116-A120 PolarHBondContact O-N 3.31Å; L117-A120 PolarHBondContact O-N 3.47Å; A120-S122 PolarHBondContact O-N 3Å; A120-R123 PolarHBondContact O-N 2.82Å; A120-H124 PolarHBondContact O-CD2 3.08Å; A120-H124 PolarHBondContact O-N 2.95Å |
| 121 | E | 97.8 | Very high | 97.6 | Very high | 108 Ų | 108 | 100.3 Ų | 100.3 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 176.3 | -170.1 | -168.3 | 151.7 | 0 | 0 | 111.7 | L117 R123 H124 R125 | L117-E121 WeakPolarHBondContact O-CB 3.46Å; L117-E121 PolarHBondContact O-N 3.24Å; E121-R123 PolarHBondContact O-N 3.4Å; E121-H124 PolarHBondContact O-N 3.28Å; E121-R125 WeakPolarHBondContact O-CB 3.36Å; E121-R125 PolarHBondContact O-N 3.21Å; E121-R125 IonicContact OE1-CZ 3.37Å; E121-R125 IonicContact OE1-NH2 2.81Å; E121-R125 PolarHBondContact OE1-NH2 3.5Å |
| 122 | S | 98.1 | Very high | 97.7 | Very high | 55 Ų | 55 | 100.8 Ų | 100.8 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.8 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | A118 A120 R125 R126 | A118-S122 WeakPolarHBondContact O-CB 3.5Å; A118-S122 PolarHBondContact O-N 2.96Å; A120-S122 PolarHBondContact O-N 3Å; S122-R125 PolarHBondContact O-N 3.45Å; S122-R126 PolarHBondContact O-N 3.33Å; S122-R126 VanDerWaalsContact O-N 3.07Å |
| 123 | R | 98 | Very high | 97.8 | Very high | 163 Ų | 163 | 97.4 Ų | 97.4 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -44.6 | 174.4 | -74.4 | -172.8 | -62 | 177 | 3.4 | 112.1 | A119 A120 E121 R126 V127 | A119-R123 WeakPolarHBondContact O-CG 3.43Å; A119-R123 PolarHBondContact O-N 2.68Å; A120-R123 PolarHBondContact O-N 2.82Å; E121-R123 PolarHBondContact O-N 3.4Å; R123-R126 PolarHBondContact O-N 3.41Å; R123-V127 WeakPolarHBondContact O-CG2 3.28Å; R123-V127 PolarHBondContact O-N 2.92Å |
| 124 | H | 98.2 | Very high | 97.8 | Very high | 127 Ų | 127 | 96.8 Ų | 96.8 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 177.4 | -70.8 | -179.6 | 0 | 0 | 0 | 111.5 | A120 E121 R126 V127 I128 | A120-H124 PolarHBondContact O-CD2 3.08Å; A120-H124 PolarHBondContact O-N 2.95Å; E121-H124 PolarHBondContact O-N 3.28Å; H124-R126 VanDerWaalsContact C-N 3.27Å; H124-R126 PolarHBondContact O-N 3.23Å; H124-V127 PolarHBondContact O-N 2.87Å; H124-I128 VanDerWaalsContact O-CG1 3.28Å; H124-I128 WeakPolarHBondContact O-CG1 3.36Å; H124-I128 PolarHBondContact O-N 3.42Å |
| 125 | R | 98.3 | Very high | 97.9 | Very high | 146 Ų | 146 | 99 Ų | 99 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.4 | -40.3 | 176.1 | -170.4 | -178.3 | -68.3 | 116.4 | 1.7 | 111.7 | E121 S122 A129 | E121-R125 WeakPolarHBondContact O-CB 3.36Å; E121-R125 PolarHBondContact O-N 3.21Å; E121-R125 IonicContact OE1-CZ 3.37Å; E121-R125 IonicContact OE1-NH2 2.81Å; E121-R125 PolarHBondContact OE1-NH2 3.5Å; S122-R125 PolarHBondContact O-N 3.45Å; R125-A129 PolarHBondContact O-N 2.9Å |
| 126 | R | 98.3 | Very high | 97.9 | Very high | 162 Ų | 162 | 101.1 Ų | 101.1 | 61% | 0.611 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -48.9 | 174.9 | -170.4 | -177.1 | -58.3 | 166.2 | 1.5 | 112.1 | S122 R123 H124 I128 A129 D130 | S122-R126 PolarHBondContact O-N 3.33Å; S122-R126 VanDerWaalsContact O-N 3.07Å; R123-R126 PolarHBondContact O-N 3.41Å; H124-R126 VanDerWaalsContact C-N 3.27Å; H124-R126 PolarHBondContact O-N 3.23Å; R126-I128 VanDerWaalsContact C-N 3.27Å; R126-I128 PolarHBondContact O-N 2.91Å; R126-A129 WeakPolarHBondContact O-CB 3.25Å; R126-A129 PolarHBondContact O-N 3.48Å; R126-A129 VanDerWaalsContact O-N 3.1Å; R126-D130 VanDerWaalsContact O-CG 3.26Å; R126-D130 PolarHBondContact O-N 3.14Å |
| 127 | V | 98.3 | Very high | 97.9 | Very high | 81 Ų | 81 | 100 Ų | 100 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 178.4 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | R123 H124 D130 L131 | R123-V127 WeakPolarHBondContact O-CG2 3.28Å; R123-V127 PolarHBondContact O-N 2.92Å; H124-V127 PolarHBondContact O-N 2.87Å; V127-D130 PolarHBondContact O-N 2.92Å; V127-L131 HydrophobicContact CG1-CD1 4.04Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 WeakPolarHBondContact O-CB 3.45Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.48Å; V127-L131 PolarHBondContact O-N 2.87Å |
| 128 | I | 98 | Very high | 98 | Very high | 91 Ų | 91 | 99.8 Ų | 99.8 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 175.1 | -68 | 164.7 | 0 | 0 | 0 | 110.4 | H124 R126 D130 L131 E132 | H124-I128 VanDerWaalsContact O-CG1 3.28Å; H124-I128 WeakPolarHBondContact O-CG1 3.36Å; H124-I128 PolarHBondContact O-N 3.42Å; R126-I128 VanDerWaalsContact C-N 3.27Å; R126-I128 PolarHBondContact O-N 2.91Å; I128-D130 PolarHBondContact O-N 3.33Å; I128-L131 PolarHBondContact O-N 3.29Å; I128-E132 HydrophobicContact CG2-CG 4.39Å; I128-E132 WeakPolarHBondContact O-CG 3.46Å; I128-E132 PolarHBondContact O-N 3.49Å |
| 129 | A | 98.1 | Very high | 98 | Very high | 50 Ų | 50 | 100.2 Ų | 100.2 | 41% | 0.413 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R125 R126 L131 E132 E133 | R125-A129 PolarHBondContact O-N 2.9Å; R126-A129 WeakPolarHBondContact O-CB 3.25Å; R126-A129 PolarHBondContact O-N 3.48Å; R126-A129 VanDerWaalsContact O-N 3.1Å; A129-L131 VanDerWaalsContact C-N 3.35Å; A129-L131 PolarHBondContact O-N 3.47Å; A129-E132 PolarHBondContact O-N 3.33Å; A129-E133 WeakPolarHBondContact O-CB 3.48Å; A129-E133 PolarHBondContact O-N 2.99Å |
| 130 | D | 98.1 | Very high | 97.9 | Very high | 87 Ų | 87 | 102.1 Ų | 102.1 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 177.4 | -62.6 | -18.8 | 0 | 0 | 0 | 111.1 | R126 V127 I128 E133 E134 | R126-D130 VanDerWaalsContact O-CG 3.26Å; R126-D130 PolarHBondContact O-N 3.14Å; V127-D130 PolarHBondContact O-N 2.92Å; I128-D130 PolarHBondContact O-N 3.33Å; D130-E133 PolarHBondContact O-N 2.87Å; D130-E134 WeakPolarHBondContact O-CB 3.13Å; D130-E134 PolarHBondContact O-N 3.07Å |
| 131 | L | 98.3 | Very high | 97.9 | Very high | 117 Ų | 117 | 105.4 Ų | 105.4 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.1 | -37.8 | 176.6 | -71.6 | 173.7 | 0 | 0 | 0 | 112.8 | V127 I128 A129 E134 K135 | V127-L131 HydrophobicContact CG1-CD1 4.04Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 WeakPolarHBondContact O-CB 3.45Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.48Å; V127-L131 PolarHBondContact O-N 2.87Å; I128-L131 PolarHBondContact O-N 3.29Å; A129-L131 VanDerWaalsContact C-N 3.35Å; A129-L131 PolarHBondContact O-N 3.47Å; L131-E134 PolarHBondContact O-N 3.38Å; L131-K135 WeakPolarHBondContact O-CB 3.47Å; L131-K135 PolarHBondContact O-N 2.84Å |
| 132 | E | 97.9 | Very high | 97.8 | Very high | 127 Ų | 127 | 104.4 Ų | 104.4 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.8 | -40.2 | 174.2 | -74.3 | 174.9 | 175 | 0 | 0 | 111.3 | I128 A129 K135 R136 | I128-E132 HydrophobicContact CG2-CG 4.39Å; I128-E132 WeakPolarHBondContact O-CG 3.46Å; I128-E132 PolarHBondContact O-N 3.49Å; A129-E132 PolarHBondContact O-N 3.33Å; E132-K135 PolarHBondContact O-N 3.24Å; E132-R136 PolarHBondContact O-N 3.37Å; E132-R136 VanDerWaalsContact O-N 3.08Å |
| 133 | E | 97.9 | Very high | 97.8 | Very high | 70 Ų | 70 | 104.4 Ų | 104.4 | 33% | 0.327 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 172.5 | 164.8 | 150.9 | -134.3 | 0 | 0 | 112 | A129 D130 K135 R136 R137 | A129-E133 WeakPolarHBondContact O-CB 3.48Å; A129-E133 PolarHBondContact O-N 2.99Å; D130-E133 PolarHBondContact O-N 2.87Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 3.36Å; E133-R136 VanDerWaalsContact CB-NH2 3.34Å; E133-R136 PolarHBondContact O-N 3.26Å; E133-R136 VanDerWaalsContact O-N 3.14Å; E133-R136 IonicContact OE1-NH2 3.44Å; E133-R136 PolarHBondContact OE1-NH2 3.41Å; E133-R137 WeakPolarHBondContact O-CG 3.42Å; E133-R137 PolarHBondContact O-N 3.12Å; E133-R137 IonicContact OE1-CZ 3.71Å; E133-R137 IonicContact OE1-NE 2.66Å; E133-R137 PolarHBondContact OE1-NE 2.94Å; E133-R137 IonicContact OE1-NH2 3.65Å; E133-R137 PolarHBondContact OE1-NH2 2.95Å |
| 134 | E | 97.6 | Very high | 97.7 | Very high | 93 Ų | 93 | 102.8 Ų | 102.8 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 178.8 | -164.3 | 63.5 | -162.6 | 0 | 0 | 111.5 | D130 L131 R136 R137 H138 | D130-E134 WeakPolarHBondContact O-CB 3.13Å; D130-E134 PolarHBondContact O-N 3.07Å; L131-E134 PolarHBondContact O-N 3.38Å; E134-R136 VanDerWaalsContact C-N 3.32Å; E134-R136 PolarHBondContact O-N 3.24Å; E134-R137 PolarHBondContact O-N 2.68Å; E134-H138 PolarHBondContact O-CD2 3Å; E134-H138 VanDerWaalsContact O-CD2 3.26Å; E134-H138 PolarHBondContact O-N 3.41Å; E134-H138 IonicContact OE1-CE1 2.93Å; E134-H138 IonicContact OE1-NE2 2.74Å |
| 135 | K | 98.1 | Very high | 97.7 | Very high | 165 Ų | 165 | 98.2 Ų | 98.2 | 72% | 0.717 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61 | -41.2 | 174.5 | -177.6 | -176 | 173.5 | -172.5 | 0 | 112.1 | L131 E132 E133 A139 | L131-K135 WeakPolarHBondContact O-CB 3.47Å; L131-K135 PolarHBondContact O-N 2.84Å; E132-K135 PolarHBondContact O-N 3.24Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 3.36Å; K135-A139 PolarHBondContact O-N 2.87Å; K135-A139 VanDerWaalsContact O-N 3.1Å |
| 136 | R | 97.9 | Very high | 97.6 | Very high | 108 Ų | 108 | 96.2 Ų | 96.2 | 41% | 0.408 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 176.8 | 174.2 | -177.8 | 38.5 | 59.6 | 1.3 | 111 | E132 E133 E134 H138 A139 E140 | E132-R136 PolarHBondContact O-N 3.37Å; E132-R136 VanDerWaalsContact O-N 3.08Å; E133-R136 VanDerWaalsContact CB-NH2 3.34Å; E133-R136 PolarHBondContact O-N 3.26Å; E133-R136 VanDerWaalsContact O-N 3.14Å; E133-R136 IonicContact OE1-NH2 3.44Å; E133-R136 PolarHBondContact OE1-NH2 3.41Å; E134-R136 VanDerWaalsContact C-N 3.32Å; E134-R136 PolarHBondContact O-N 3.24Å; R136-H138 VanDerWaalsContact C-N 3.33Å; R136-H138 PolarHBondContact O-N 3.12Å; R136-A139 WeakPolarHBondContact O-CB 3.5Å; R136-A139 PolarHBondContact O-N 3.44Å; R136-A139 VanDerWaalsContact O-N 3.11Å; R136-E140 VanDerWaalsContact CG-OE1 3.29Å; R136-E140 WeakPolarHBondContact CG-OE1 3.48Å; R136-E140 WeakPolarHBondContact O-CG 3.43Å; R136-E140 PolarHBondContact O-N 3.4Å |
| 137 | R | 98 | Very high | 97.6 | Very high | 116 Ų | 116 | 93.7 Ų | 93.7 | 44% | 0.438 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.7 | -46.8 | 174.9 | -71.1 | -178.2 | -176.3 | -77.7 | -5.7 | 111.5 | E133 E134 A139 E140 D141 | E133-R137 WeakPolarHBondContact O-CG 3.42Å; E133-R137 PolarHBondContact O-N 3.12Å; E133-R137 IonicContact OE1-CZ 3.71Å; E133-R137 IonicContact OE1-NE 2.66Å; E133-R137 PolarHBondContact OE1-NE 2.94Å; E133-R137 IonicContact OE1-NH2 3.65Å; E133-R137 PolarHBondContact OE1-NH2 2.95Å; E134-R137 PolarHBondContact O-N 2.68Å; R137-A139 VanDerWaalsContact C-N 3.3Å; R137-A139 PolarHBondContact O-N 3.32Å; R137-E140 PolarHBondContact O-N 2.87Å; R137-E140 VanDerWaalsContact O-N 3.17Å; R137-D141 VanDerWaalsContact O-CG 3.25Å; R137-D141 PolarHBondContact O-N 3.37Å |
| 138 | H | 97.7 | Very high | 97.6 | Very high | 101 Ų | 101 | 93.9 Ų | 93.9 | 47% | 0.468 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -35.5 | 175.9 | -74.7 | -40.9 | 0 | 0 | 0 | 114 | E134 R136 T142 | E134-H138 PolarHBondContact O-CD2 3Å; E134-H138 VanDerWaalsContact O-CD2 3.26Å; E134-H138 PolarHBondContact O-N 3.41Å; E134-H138 IonicContact OE1-CE1 2.93Å; E134-H138 IonicContact OE1-NE2 2.74Å; R136-H138 VanDerWaalsContact C-N 3.33Å; R136-H138 PolarHBondContact O-N 3.12Å; H138-T142 WeakPolarHBondContact O-CB 3.35Å; H138-T142 PolarHBondContact O-N 2.89Å; H138-T142 PolarHBondContact O-OG1 2.92Å |
| 139 | A | 97.4 | Very high | 97.6 | Very high | 61 Ų | 61 | 92.8 Ų | 92.8 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K135 R136 R137 T142 A143 | K135-A139 PolarHBondContact O-N 2.87Å; K135-A139 VanDerWaalsContact O-N 3.1Å; R136-A139 WeakPolarHBondContact O-CB 3.5Å; R136-A139 PolarHBondContact O-N 3.44Å; R136-A139 VanDerWaalsContact O-N 3.11Å; R137-A139 VanDerWaalsContact C-N 3.3Å; R137-A139 PolarHBondContact O-N 3.32Å; A139-T142 PolarHBondContact O-N 2.87Å; A139-A143 PolarHBondContact O-N 3.49Å; A139-A143 VanDerWaalsContact O-N 3.07Å |
| 140 | E | 96.6 | Very high | 97.6 | Very high | 91 Ų | 91 | 97 Ų | 97 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -50.5 | 174.5 | -69.9 | 163.7 | -172.6 | 0 | 0 | 111 | R136 R137 T142 A143 E144 | R136-E140 VanDerWaalsContact CG-OE1 3.29Å; R136-E140 WeakPolarHBondContact CG-OE1 3.48Å; R136-E140 WeakPolarHBondContact O-CG 3.43Å; R136-E140 PolarHBondContact O-N 3.4Å; R137-E140 PolarHBondContact O-N 2.87Å; R137-E140 VanDerWaalsContact O-N 3.17Å; E140-T142 VanDerWaalsContact C-N 3.25Å; E140-T142 PolarHBondContact O-N 3.42Å; E140-A143 PolarHBondContact O-N 3.21Å; E140-A143 VanDerWaalsContact O-N 3.08Å; E140-E144 PolarHBondContact O-N 3.47Å |
| 141 | D | 97.1 | Very high | 97.6 | Very high | 95 Ų | 95 | 98.2 Ų | 98.2 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.9 | -36.4 | 177.9 | -66.9 | -22.9 | 0 | 0 | 0 | 112.3 | R137 G145 | R137-D141 VanDerWaalsContact O-CG 3.25Å; R137-D141 PolarHBondContact O-N 3.37Å; D141-G145 PolarHBondContact O-N 3.46Å |
| 142 | T | 96.9 | Very high | 97.6 | Very high | 87 Ų | 87 | 98 Ų | 98 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | H138 A139 E140 G145 D146 | H138-T142 WeakPolarHBondContact O-CB 3.35Å; H138-T142 PolarHBondContact O-N 2.89Å; H138-T142 PolarHBondContact O-OG1 2.92Å; A139-T142 PolarHBondContact O-N 2.87Å; E140-T142 VanDerWaalsContact C-N 3.25Å; E140-T142 PolarHBondContact O-N 3.42Å; T142-G145 PolarHBondContact O-N 3.28Å; T142-D146 PolarHBondContact O-N 3.31Å |
| 143 | A | 97.4 | Very high | 97.7 | Very high | 54 Ų | 54 | 96.9 Ų | 96.9 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | A139 E140 G145 D146 D147 | A139-A143 PolarHBondContact O-N 3.49Å; A139-A143 VanDerWaalsContact O-N 3.07Å; E140-A143 PolarHBondContact O-N 3.21Å; E140-A143 VanDerWaalsContact O-N 3.08Å; A143-G145 VanDerWaalsContact C-N 3.29Å; A143-G145 PolarHBondContact O-N 2.92Å; A143-D146 PolarHBondContact O-N 2.89Å; A143-D147 PolarHBondContact O-N 3.33Å |
| 144 | E | 96.6 | Very high | 97.7 | Very high | 129 Ų | 129 | 98 Ų | 98 | 60% | 0.603 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.2 | -37.5 | 174.4 | -68.5 | -174.9 | -178.5 | 0 | 0 | 111.7 | E140 D146 D147 V148 | E140-E144 PolarHBondContact O-N 3.47Å; E144-D146 VanDerWaalsContact C-N 3.31Å; E144-D146 PolarHBondContact O-N 2.98Å; E144-D147 PolarHBondContact O-N 2.93Å; E144-V148 WeakPolarHBondContact O-CG2 3.45Å; E144-V148 PolarHBondContact O-N 3.21Å; E144-V148 VanDerWaalsContact O-N 3.12Å |
| 145 | G | 97.2 | Very high | 97.7 | Very high | 31 Ų | 31 | 97.2 Ų | 97.2 | 32% | 0.32 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -35.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D141 T142 A143 T149 | D141-G145 PolarHBondContact O-N 3.46Å; T142-G145 PolarHBondContact O-N 3.28Å; A143-G145 VanDerWaalsContact C-N 3.29Å; A143-G145 PolarHBondContact O-N 2.92Å; G145-T149 WeakPolarHBondContact O-CB 3.44Å; G145-T149 PolarHBondContact O-N 2.92Å; G145-T149 PolarHBondContact O-OG1 3.32Å |
| 146 | D | 97.5 | Very high | 97.8 | Very high | 104 Ų | 104 | 97.5 Ų | 97.5 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.7 | -41.8 | 176.4 | -71.7 | -19.9 | 0 | 0 | 0 | 111.5 | T142 A143 E144 T149 Y150 | T142-D146 PolarHBondContact O-N 3.31Å; A143-D146 PolarHBondContact O-N 2.89Å; E144-D146 VanDerWaalsContact C-N 3.31Å; E144-D146 PolarHBondContact O-N 2.98Å; D146-T149 WeakPolarHBondContact O-CB 3.48Å; D146-T149 PolarHBondContact O-N 3.41Å; D146-Y150 WeakPolarHBondContact O-CB 3.48Å; D146-Y150 PolarHBondContact O-N 3.48Å |
| 147 | D | 97.3 | Very high | 97.8 | Very high | 110 Ų | 110 | 96.7 Ų | 96.7 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 175.8 | -76.7 | -22.9 | 0 | 0 | 0 | 111.9 | A143 E144 T149 Y150 I151 | A143-D147 PolarHBondContact O-N 3.33Å; E144-D147 PolarHBondContact O-N 2.93Å; D147-T149 VanDerWaalsContact C-N 3.34Å; D147-Y150 PolarHBondContact O-N 2.94Å; D147-I151 WeakPolarHBondContact O-CG1 3.48Å; D147-I151 PolarHBondContact O-N 3.47Å |
| 148 | V | 98 | Very high | 97.8 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.9 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | E144 Y150 I151 L152 | E144-V148 WeakPolarHBondContact O-CG2 3.45Å; E144-V148 PolarHBondContact O-N 3.21Å; E144-V148 VanDerWaalsContact O-N 3.12Å; V148-Y150 VanDerWaalsContact C-N 3.34Å; V148-Y150 PolarHBondContact O-N 3Å; V148-I151 PolarHBondContact O-N 2.9Å; V148-L152 HydrophobicContact CG1-CD1 4.02Å; V148-L152 HydrophobicContact CG1-CG 4.47Å; V148-L152 WeakPolarHBondContact O-CG 3.32Å; V148-L152 PolarHBondContact O-N 3.02Å |
| 149 | T | 98 | Very high | 97.9 | Very high | 68 Ų | 68 | 96.7 Ų | 96.7 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | G145 D146 D147 I151 L152 E153 | G145-T149 WeakPolarHBondContact O-CB 3.44Å; G145-T149 PolarHBondContact O-N 2.92Å; G145-T149 PolarHBondContact O-OG1 3.32Å; D146-T149 WeakPolarHBondContact O-CB 3.48Å; D146-T149 PolarHBondContact O-N 3.41Å; D147-T149 VanDerWaalsContact C-N 3.34Å; T149-I151 PolarHBondContact O-N 2.94Å; T149-L152 PolarHBondContact O-N 3.25Å; T149-E153 HydrophobicContact CG2-CG 4.37Å; T149-E153 WeakPolarHBondContact O-CB 3.47Å; T149-E153 WeakPolarHBondContact O-CG 3.47Å; T149-E153 PolarHBondContact O-N 3.46Å |
| 150 | Y | 98.3 | Very high | 97.9 | Very high | 139 Ų | 139 | 98.1 Ų | 98.1 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 179.3 | 175.6 | -101.5 | 0 | 0 | 0 | 112.7 | D146 D147 V148 L152 E153 K154 | D146-Y150 WeakPolarHBondContact O-CB 3.48Å; D146-Y150 PolarHBondContact O-N 3.48Å; D147-Y150 PolarHBondContact O-N 2.94Å; V148-Y150 VanDerWaalsContact C-N 3.34Å; V148-Y150 PolarHBondContact O-N 3Å; Y150-L152 VanDerWaalsContact C-N 3.35Å; Y150-L152 PolarHBondContact O-N 3.28Å; Y150-E153 PolarHBondContact O-N 3.39Å; Y150-K154 HydrophobicContact CD1-CG 4.48Å; Y150-K154 HydrophobicContact CD2-CG 4.5Å; Y150-K154 HydrophobicContact CE1-CG 4.01Å; Y150-K154 HydrophobicContact CE2-CD 4.45Å; Y150-K154 HydrophobicContact CE2-CG 4.03Å; Y150-K154 WeakPolarHBondContact O-CG 3.4Å; Y150-K154 PolarHBondContact O-N 3.16Å; Y150-K154 WeakPolarHBondContact OH-CE 3.36Å |
| 151 | I | 98.5 | Very high | 98.1 | Very high | 111 Ų | 111 | 100.1 Ų | 100.1 | 57% | 0.569 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 178 | -67 | 165.6 | 0 | 0 | 0 | 110.8 | D147 V148 T149 K154 E155 | D147-I151 WeakPolarHBondContact O-CG1 3.48Å; D147-I151 PolarHBondContact O-N 3.47Å; V148-I151 PolarHBondContact O-N 2.9Å; T149-I151 PolarHBondContact O-N 2.94Å; I151-K154 PolarHBondContact O-N 3.43Å; I151-E155 WeakPolarHBondContact O-CB 3.37Å; I151-E155 PolarHBondContact O-N 3.22Å |
| 152 | L | 98.4 | Very high | 98.1 | Very high | 114 Ų | 114 | 99.7 Ų | 99.7 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.5 | -38.3 | 178.6 | -69.7 | 175.7 | 0 | 0 | 0 | 112.3 | V148 T149 Y150 E155 R156 | V148-L152 HydrophobicContact CG1-CD1 4.02Å; V148-L152 HydrophobicContact CG1-CG 4.47Å; V148-L152 WeakPolarHBondContact O-CG 3.32Å; V148-L152 PolarHBondContact O-N 3.02Å; T149-L152 PolarHBondContact O-N 3.25Å; Y150-L152 VanDerWaalsContact C-N 3.35Å; Y150-L152 PolarHBondContact O-N 3.28Å; L152-E155 PolarHBondContact O-N 3.45Å; L152-R156 WeakPolarHBondContact O-CB 3.25Å; L152-R156 PolarHBondContact O-N 2.73Å |
| 153 | E | 98.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 99.2 Ų | 99.2 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 174.2 | -75.8 | -178.1 | 169.5 | 0 | 0 | 111.6 | T149 Y150 E155 R156 E157 | T149-E153 HydrophobicContact CG2-CG 4.37Å; T149-E153 WeakPolarHBondContact O-CB 3.47Å; T149-E153 WeakPolarHBondContact O-CG 3.47Å; T149-E153 PolarHBondContact O-N 3.46Å; Y150-E153 PolarHBondContact O-N 3.39Å; E153-E155 PolarHBondContact O-N 2.96Å; E153-R156 WeakPolarHBondContact O-CB 3.37Å; E153-R156 PolarHBondContact O-N 3.04Å; E153-E157 WeakPolarHBondContact O-CG 3.49Å; E153-E157 PolarHBondContact O-N 2.87Å |
| 154 | K | 98.7 | Very high | 98.3 | Very high | 93 Ų | 93 | 101.2 Ų | 101.2 | 40% | 0.404 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.2 | -75.3 | -71.5 | 157.7 | -147.6 | 0 | 112.5 | Y150 I151 R156 E157 R158 | Y150-K154 HydrophobicContact CD1-CG 4.48Å; Y150-K154 HydrophobicContact CD2-CG 4.5Å; Y150-K154 HydrophobicContact CE1-CG 4.01Å; Y150-K154 HydrophobicContact CE2-CD 4.45Å; Y150-K154 HydrophobicContact CE2-CG 4.03Å; Y150-K154 WeakPolarHBondContact O-CG 3.4Å; Y150-K154 PolarHBondContact O-N 3.16Å; Y150-K154 WeakPolarHBondContact OH-CE 3.36Å; I151-K154 PolarHBondContact O-N 3.43Å; K154-R156 VanDerWaalsContact C-N 3.34Å; K154-E157 IonicContact NZ-OE2 3.3Å; K154-E157 PolarHBondContact NZ-OE2 3.45Å; K154-E157 PolarHBondContact O-N 3.4Å; K154-R158 WeakPolarHBondContact O-CB 3.25Å; K154-R158 PolarHBondContact O-N 3.01Å |
| 155 | E | 98.4 | Very high | 98.4 | Very high | 76 Ų | 76 | 100.4 Ų | 100.4 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 176.6 | -176 | 59.1 | -168.3 | 0 | 0 | 111.5 | I151 L152 E153 R158 L159 | I151-E155 WeakPolarHBondContact O-CB 3.37Å; I151-E155 PolarHBondContact O-N 3.22Å; L152-E155 PolarHBondContact O-N 3.45Å; E153-E155 PolarHBondContact O-N 2.96Å; E155-R158 PolarHBondContact O-N 3.28Å; E155-R158 IonicContact OE1-CZ 2.64Å; E155-R158 IonicContact OE1-NE 3.9Å; E155-R158 PolarHBondContact OE1-NE 3.09Å; E155-R158 IonicContact OE1-NH2 3.98Å; E155-R158 PolarHBondContact OE1-NH2 3.18Å; E155-R158 IonicContact OE2-CZ 3.54Å; E155-R158 IonicContact OE2-NE 3Å; E155-R158 PolarHBondContact OE2-NE 3.15Å; E155-R158 IonicContact OE2-NH2 2.77Å; E155-L159 HydrophobicContact CG-CD1 4.12Å; E155-L159 HydrophobicContact CG-CG 4.45Å; E155-L159 WeakPolarHBondContact O-CB 3.35Å; E155-L159 VanDerWaalsContact O-CG 3.26Å; E155-L159 WeakPolarHBondContact O-CG 3.46Å; E155-L159 PolarHBondContact O-N 2.98Å |
| 156 | R | 98.6 | Very high | 98.5 | Very high | 172 Ų | 172 | 103.2 Ų | 103.2 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.9 | -47.6 | 172.5 | 178.5 | -171 | 171.8 | -159.2 | -3.1 | 111.7 | L152 E153 K154 L159 Q160 | L152-R156 WeakPolarHBondContact O-CB 3.25Å; L152-R156 PolarHBondContact O-N 2.73Å; E153-R156 WeakPolarHBondContact O-CB 3.37Å; E153-R156 PolarHBondContact O-N 3.04Å; K154-R156 VanDerWaalsContact C-N 3.34Å; R156-L159 PolarHBondContact O-N 2.98Å; R156-Q160 VanDerWaalsContact O-CB 3.3Å; R156-Q160 WeakPolarHBondContact O-CB 3.47Å; R156-Q160 PolarHBondContact O-N 2.94Å |
| 157 | E | 98.8 | Very high | 98.5 | Very high | 90 Ų | 90 | 104.8 Ų | 104.8 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 177.3 | -73.9 | 176.4 | 168.1 | 0 | 0 | 111.3 | E153 K154 Q160 Q161 | E153-E157 WeakPolarHBondContact O-CG 3.49Å; E153-E157 PolarHBondContact O-N 2.87Å; K154-E157 IonicContact NZ-OE2 3.3Å; K154-E157 PolarHBondContact NZ-OE2 3.45Å; K154-E157 PolarHBondContact O-N 3.4Å; E157-Q160 PolarHBondContact O-N 3.44Å; E157-Q161 WeakPolarHBondContact O-CG 3.41Å; E157-Q161 PolarHBondContact O-N 3.23Å |
| 158 | R | 98.8 | Very high | 98.6 | Very high | 129 Ų | 129 | 101.7 Ų | 101.7 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 177.4 | -169.9 | -169 | 75.1 | 81.2 | -0.1 | 111.8 | K154 E155 Q160 Q161 Q162 | K154-R158 WeakPolarHBondContact O-CB 3.25Å; K154-R158 PolarHBondContact O-N 3.01Å; E155-R158 PolarHBondContact O-N 3.28Å; E155-R158 IonicContact OE1-CZ 2.64Å; E155-R158 IonicContact OE1-NE 3.9Å; E155-R158 PolarHBondContact OE1-NE 3.09Å; E155-R158 IonicContact OE1-NH2 3.98Å; E155-R158 PolarHBondContact OE1-NH2 3.18Å; E155-R158 IonicContact OE2-CZ 3.54Å; E155-R158 IonicContact OE2-NE 3Å; E155-R158 PolarHBondContact OE2-NE 3.15Å; E155-R158 IonicContact OE2-NH2 2.77Å; R158-Q160 VanDerWaalsContact C-N 3.31Å; R158-Q160 PolarHBondContact O-N 3.14Å; R158-Q161 PolarHBondContact O-N 3.42Å; R158-Q162 PolarHBondContact O-N 3.3Å |
| 159 | L | 98.7 | Very high | 98.6 | Very high | 89 Ų | 89 | 101.5 Ų | 101.5 | 47% | 0.466 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 177.8 | -71.3 | 174 | 0 | 0 | 0 | 111.8 | E155 R156 Q162 L163 | E155-L159 HydrophobicContact CG-CD1 4.12Å; E155-L159 HydrophobicContact CG-CG 4.45Å; E155-L159 WeakPolarHBondContact O-CB 3.35Å; E155-L159 VanDerWaalsContact O-CG 3.26Å; E155-L159 WeakPolarHBondContact O-CG 3.46Å; E155-L159 PolarHBondContact O-N 2.98Å; R156-L159 PolarHBondContact O-N 2.98Å; L159-Q162 PolarHBondContact O-N 2.84Å; L159-L163 WeakPolarHBondContact O-CB 3.44Å; L159-L163 PolarHBondContact O-N 2.96Å |
| 160 | Q | 98.7 | Very high | 98.7 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 43% | 0.425 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 175.4 | -178.1 | 174.9 | -24 | 0 | 0 | 111.5 | R156 E157 R158 Q162 L163 E164 | R156-Q160 VanDerWaalsContact O-CB 3.3Å; R156-Q160 WeakPolarHBondContact O-CB 3.47Å; R156-Q160 PolarHBondContact O-N 2.94Å; E157-Q160 PolarHBondContact O-N 3.44Å; R158-Q160 VanDerWaalsContact C-N 3.31Å; R158-Q160 PolarHBondContact O-N 3.14Å; Q160-Q162 VanDerWaalsContact C-N 3.34Å; Q160-Q162 PolarHBondContact O-N 2.65Å; Q160-L163 PolarHBondContact O-N 3.29Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.49Å; Q160-E164 PolarHBondContact NE2-OE1 3.49Å; Q160-E164 WeakPolarHBondContact O-CG 3.35Å; Q160-E164 PolarHBondContact O-N 3.09Å |
| 161 | Q | 98.8 | Very high | 98.7 | Very high | 132 Ų | 132 | 101.5 Ų | 101.5 | 62% | 0.617 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.8 | -42.5 | 175.8 | -71.6 | 174 | 3.2 | 0 | 0 | 111.8 | E157 R158 L163 E164 F165 | E157-Q161 WeakPolarHBondContact O-CG 3.41Å; E157-Q161 PolarHBondContact O-N 3.23Å; R158-Q161 PolarHBondContact O-N 3.42Å; Q161-L163 PolarHBondContact O-N 2.8Å; Q161-E164 PolarHBondContact O-N 3.42Å; Q161-F165 PolarHBondContact O-N 2.86Å |
| 162 | Q | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 102.4 Ų | 102.4 | 41% | 0.407 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.5 | -178 | 62.3 | 24.3 | 0 | 0 | 111.6 | R158 L159 Q160 E164 F165 E166 | R158-Q162 PolarHBondContact O-N 3.3Å; L159-Q162 PolarHBondContact O-N 2.84Å; Q160-Q162 VanDerWaalsContact C-N 3.34Å; Q160-Q162 PolarHBondContact O-N 2.65Å; Q162-E164 VanDerWaalsContact C-N 3.34Å; Q162-E164 PolarHBondContact O-N 3.07Å; Q162-F165 WeakPolarHBondContact O-CB 3.28Å; Q162-F165 PolarHBondContact O-N 3.47Å; Q162-E166 PolarHBondContact NE2-OE1 3.44Å; Q162-E166 WeakPolarHBondContact O-CG 3.42Å; Q162-E166 PolarHBondContact O-N 2.89Å |
| 163 | L | 98.7 | Very high | 98.7 | Very high | 77 Ų | 77 | 101.5 Ų | 101.5 | 40% | 0.403 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 177.4 | -179.9 | 64.3 | 0 | 0 | 0 | 112.1 | L159 Q160 Q161 E166 R167 | L159-L163 WeakPolarHBondContact O-CB 3.44Å; L159-L163 PolarHBondContact O-N 2.96Å; Q160-L163 PolarHBondContact O-N 3.29Å; Q161-L163 PolarHBondContact O-N 2.8Å; L163-E166 PolarHBondContact O-N 3.04Å; L163-R167 HydrophobicContact CD1-CG 4.43Å; L163-R167 VanDerWaalsContact O-CB 3.32Å; L163-R167 WeakPolarHBondContact O-CB 3.43Å; L163-R167 WeakPolarHBondContact O-CG 3.48Å; L163-R167 PolarHBondContact O-N 2.94Å |
| 164 | E | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 100.4 Ų | 100.4 | 45% | 0.449 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.4 | -74.6 | 173.5 | -165.1 | 0 | 0 | 111.9 | Q160 Q161 Q162 R167 S168 | Q160-E164 WeakPolarHBondContact CG-OE1 3.49Å; Q160-E164 PolarHBondContact NE2-OE1 3.49Å; Q160-E164 WeakPolarHBondContact O-CG 3.35Å; Q160-E164 PolarHBondContact O-N 3.09Å; Q161-E164 PolarHBondContact O-N 3.42Å; Q162-E164 VanDerWaalsContact C-N 3.34Å; Q162-E164 PolarHBondContact O-N 3.07Å; E164-R167 PolarHBondContact O-N 2.95Å; E164-S168 WeakPolarHBondContact O-CB 3.45Å; E164-S168 PolarHBondContact O-N 2.95Å |
| 165 | F | 98.8 | Very high | 98.7 | Very high | 112 Ų | 112 | 101.7 Ų | 101.7 | 49% | 0.491 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61 | -50.9 | 173.5 | 177.7 | -98.1 | 0 | 0 | 0 | 111.4 | Q161 Q162 R167 S168 Q169 | Q161-F165 PolarHBondContact O-N 2.86Å; Q162-F165 WeakPolarHBondContact O-CB 3.28Å; Q162-F165 PolarHBondContact O-N 3.47Å; F165-R167 PolarHBondContact O-N 3.13Å; F165-S168 WeakPolarHBondContact O-CB 3.32Å; F165-S168 PolarHBondContact O-N 3.32Å; F165-S168 VanDerWaalsContact O-N 3.07Å; F165-S168 PolarHBondContact O-OG 3.44Å; F165-Q169 PolarHBondContact O-N 3.02Å |
| 166 | E | 98.6 | Very high | 98.7 | Very high | 90 Ų | 90 | 102.1 Ų | 102.1 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 178.2 | -73.7 | 176.6 | -167.6 | 0 | 0 | 111.8 | Q162 L163 S168 Q169 V170 | Q162-E166 PolarHBondContact NE2-OE1 3.44Å; Q162-E166 WeakPolarHBondContact O-CG 3.42Å; Q162-E166 PolarHBondContact O-N 2.89Å; L163-E166 PolarHBondContact O-N 3.04Å; E166-S168 VanDerWaalsContact C-N 3.26Å; E166-S168 PolarHBondContact O-N 3.26Å; E166-Q169 PolarHBondContact O-N 3.01Å; E166-Q169 VanDerWaalsContact O-N 3.13Å; E166-V170 WeakPolarHBondContact O-CG2 3.49Å; E166-V170 PolarHBondContact O-N 3.3Å |
| 167 | R | 98.8 | Very high | 98.7 | Very high | 137 Ų | 137 | 100.1 Ų | 100.1 | 52% | 0.517 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -57.9 | -39.6 | 173.1 | -76.8 | 171 | 173.7 | -177.6 | -1.4 | 111.9 | L163 E164 F165 R171 | L163-R167 HydrophobicContact CD1-CG 4.43Å; L163-R167 VanDerWaalsContact O-CB 3.32Å; L163-R167 WeakPolarHBondContact O-CB 3.43Å; L163-R167 WeakPolarHBondContact O-CG 3.48Å; L163-R167 PolarHBondContact O-N 2.94Å; E164-R167 PolarHBondContact O-N 2.95Å; F165-R167 PolarHBondContact O-N 3.13Å; R167-R171 WeakPolarHBondContact O-CB 3.27Å; R167-R171 VanDerWaalsContact O-CG 3.31Å; R167-R171 WeakPolarHBondContact O-CG 3.48Å; R167-R171 PolarHBondContact O-N 3.49Å |
| 168 | S | 98.8 | Very high | 98.7 | Very high | 44 Ų | 44 | 101.5 Ų | 101.5 | 31% | 0.308 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 177.1 | 84.6 | 0 | 0 | 0 | 0 | 112.2 | E164 F165 E166 R172 | E164-S168 WeakPolarHBondContact O-CB 3.45Å; E164-S168 PolarHBondContact O-N 2.95Å; F165-S168 WeakPolarHBondContact O-CB 3.32Å; F165-S168 PolarHBondContact O-N 3.32Å; F165-S168 VanDerWaalsContact O-N 3.07Å; F165-S168 PolarHBondContact O-OG 3.44Å; E166-S168 VanDerWaalsContact C-N 3.26Å; E166-S168 PolarHBondContact O-N 3.26Å; S168-R172 PolarHBondContact O-N 3.36Å; S168-R172 VanDerWaalsContact O-N 3.14Å |
| 169 | Q | 98.8 | Very high | 98.7 | Very high | 81 Ų | 81 | 102.8 Ų | 102.8 | 38% | 0.379 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.2 | -46 | 177.8 | -171.5 | -178.4 | 26.6 | 0 | 0 | 111.1 | F165 E166 R171 R172 L173 | F165-Q169 PolarHBondContact O-N 3.02Å; E166-Q169 PolarHBondContact O-N 3.01Å; E166-Q169 VanDerWaalsContact O-N 3.13Å; Q169-R171 PolarHBondContact O-N 3.46Å; Q169-R172 WeakPolarHBondContact O-CB 3.43Å; Q169-R172 PolarHBondContact O-N 2.95Å; Q169-R172 VanDerWaalsContact O-N 3.09Å; Q169-L173 HydrophobicContact CG-CD1 4.39Å; Q169-L173 PolarHBondContact O-N 2.87Å |
| 170 | V | 98.8 | Very high | 98.7 | Very high | 74 Ų | 74 | 103.6 Ų | 103.6 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.4 | -49.2 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | E166 R172 L173 E174 | E166-V170 WeakPolarHBondContact O-CG2 3.49Å; E166-V170 PolarHBondContact O-N 3.3Å; V170-R172 PolarHBondContact O-N 3.48Å; V170-R172 VanDerWaalsContact O-N 3.15Å; V170-L173 PolarHBondContact O-N 3.46Å; V170-E174 HydrophobicContact CG1-CG 4.12Å; V170-E174 WeakPolarHBondContact CG1-OE1 3.3Å; V170-E174 WeakPolarHBondContact O-CB 3.48Å; V170-E174 VanDerWaalsContact O-CG 3.28Å; V170-E174 WeakPolarHBondContact O-CG 3.36Å; V170-E174 PolarHBondContact O-N 3.27Å |
| 171 | R | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 102.2 Ų | 102.2 | 51% | 0.506 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.9 | -31.3 | 176.8 | -76.7 | -173.8 | -64.6 | -109.3 | 2.6 | 113.6 | R167 Q169 K175 | R167-R171 WeakPolarHBondContact O-CB 3.27Å; R167-R171 VanDerWaalsContact O-CG 3.31Å; R167-R171 WeakPolarHBondContact O-CG 3.48Å; R167-R171 PolarHBondContact O-N 3.49Å; Q169-R171 PolarHBondContact O-N 3.46Å; R171-K175 VanDerWaalsContact O-CG 3.28Å; R171-K175 WeakPolarHBondContact O-CG 3.28Å; R171-K175 PolarHBondContact O-N 3.5Å |
| 172 | R | 98.8 | Very high | 98.7 | Very high | 129 Ų | 129 | 101.1 Ų | 101.1 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.5 | -50.6 | 176.9 | -165.6 | -163 | -35.8 | 160 | 10 | 110.9 | S168 Q169 V170 E174 K175 E176 | S168-R172 PolarHBondContact O-N 3.36Å; S168-R172 VanDerWaalsContact O-N 3.14Å; Q169-R172 WeakPolarHBondContact O-CB 3.43Å; Q169-R172 PolarHBondContact O-N 2.95Å; Q169-R172 VanDerWaalsContact O-N 3.09Å; V170-R172 PolarHBondContact O-N 3.48Å; V170-R172 VanDerWaalsContact O-N 3.15Å; R172-E174 VanDerWaalsContact C-N 3.31Å; R172-E174 PolarHBondContact O-N 2.96Å; R172-K175 WeakPolarHBondContact O-CB 3.26Å; R172-K175 PolarHBondContact O-N 3.25Å; R172-K175 VanDerWaalsContact O-N 3.09Å; R172-E176 PolarHBondContact O-N 2.91Å |
| 173 | L | 98.7 | Very high | 98.7 | Very high | 95 Ų | 95 | 102.4 Ų | 102.4 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -39 | 178.3 | -68.9 | 174.5 | 0 | 0 | 0 | 111.7 | Q169 V170 K175 E176 Q177 | Q169-L173 HydrophobicContact CG-CD1 4.39Å; Q169-L173 PolarHBondContact O-N 2.87Å; V170-L173 PolarHBondContact O-N 3.46Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 2.92Å; L173-E176 PolarHBondContact O-N 3.37Å; L173-Q177 WeakPolarHBondContact O-CB 3.39Å; L173-Q177 PolarHBondContact O-N 2.74Å |
| 174 | E | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 102.2 Ų | 102.2 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.4 | -37 | 173.8 | -74.4 | 175.1 | 171.9 | 0 | 0 | 112.6 | V170 R172 R178 | V170-E174 HydrophobicContact CG1-CG 4.12Å; V170-E174 WeakPolarHBondContact CG1-OE1 3.3Å; V170-E174 WeakPolarHBondContact O-CB 3.48Å; V170-E174 VanDerWaalsContact O-CG 3.28Å; V170-E174 WeakPolarHBondContact O-CG 3.36Å; V170-E174 PolarHBondContact O-N 3.27Å; R172-E174 VanDerWaalsContact C-N 3.31Å; R172-E174 PolarHBondContact O-N 2.96Å; E174-R178 WeakPolarHBondContact O-CB 3.5Å; E174-R178 WeakPolarHBondContact O-CG 3.37Å; E174-R178 PolarHBondContact O-N 3.33Å |
| 175 | K | 98.8 | Very high | 98.7 | Very high | 121 Ų | 121 | 103.3 Ų | 103.3 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 174.7 | -74.9 | 173.5 | -176.9 | -175.9 | 0 | 111.3 | R171 R172 L173 R178 R179 | R171-K175 VanDerWaalsContact O-CG 3.28Å; R171-K175 WeakPolarHBondContact O-CG 3.28Å; R171-K175 PolarHBondContact O-N 3.5Å; R172-K175 WeakPolarHBondContact O-CB 3.26Å; R172-K175 PolarHBondContact O-N 3.25Å; R172-K175 VanDerWaalsContact O-N 3.09Å; L173-K175 VanDerWaalsContact C-N 3.32Å; L173-K175 PolarHBondContact O-N 2.92Å; K175-R178 VanDerWaalsContact CG-NH2 3.3Å; K175-R178 PolarHBondContact O-N 3.32Å; K175-R179 VanDerWaalsContact O-CG 3.31Å; K175-R179 WeakPolarHBondContact O-CG 3.42Å; K175-R179 PolarHBondContact O-N 2.88Å |
| 176 | E | 98.7 | Very high | 98.7 | Very high | 85 Ų | 85 | 103.6 Ų | 103.6 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.2 | -71 | 168.6 | -166.9 | 0 | 0 | 111.3 | R172 L173 R178 R179 I180 | R172-E176 PolarHBondContact O-N 2.91Å; L173-E176 PolarHBondContact O-N 3.37Å; E176-R178 PolarHBondContact O-N 2.95Å; E176-R179 PolarHBondContact O-N 3.34Å; E176-I180 WeakPolarHBondContact O-CG1 3.31Å; E176-I180 PolarHBondContact O-N 2.9Å |
| 177 | Q | 98.6 | Very high | 98.7 | Very high | 130 Ų | 130 | 105 Ų | 105 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.5 | -45.6 | 174.8 | -174 | -175 | 34.1 | 0 | 0 | 111.6 | L173 I180 T181 | L173-Q177 WeakPolarHBondContact O-CB 3.39Å; L173-Q177 PolarHBondContact O-N 2.74Å; Q177-I180 PolarHBondContact O-N 3.41Å; Q177-T181 WeakPolarHBondContact O-CB 3.34Å; Q177-T181 PolarHBondContact O-N 3.47Å; Q177-T181 PolarHBondContact O-OG1 2.87Å |
| 178 | R | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 106.7 Ų | 106.7 | 45% | 0.445 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 175.9 | -79.8 | -172.7 | -68.4 | -93 | -3.5 | 111.6 | E174 K175 E176 I180 T181 E182 | E174-R178 WeakPolarHBondContact O-CB 3.5Å; E174-R178 WeakPolarHBondContact O-CG 3.37Å; E174-R178 PolarHBondContact O-N 3.33Å; K175-R178 VanDerWaalsContact CG-NH2 3.3Å; K175-R178 PolarHBondContact O-N 3.32Å; E176-R178 PolarHBondContact O-N 2.95Å; R178-I180 PolarHBondContact O-N 3.37Å; R178-T181 WeakPolarHBondContact O-CB 3.46Å; R178-T181 PolarHBondContact O-N 2.81Å; R178-T181 VanDerWaalsContact O-N 3.16Å; R178-E182 WeakPolarHBondContact O-CG 3.39Å; R178-E182 PolarHBondContact O-N 3.34Å |
| 179 | R | 98.8 | Very high | 98.7 | Very high | 156 Ų | 156 | 107.3 Ų | 107.3 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.3 | -46.6 | 177.3 | -72.8 | 171.5 | 179 | 176.5 | -2.4 | 112.8 | K175 E176 T181 E182 Q183 | K175-R179 VanDerWaalsContact O-CG 3.31Å; K175-R179 WeakPolarHBondContact O-CG 3.42Å; K175-R179 PolarHBondContact O-N 2.88Å; E176-R179 PolarHBondContact O-N 3.34Å; R179-T181 VanDerWaalsContact C-N 3.28Å; R179-T181 PolarHBondContact O-N 3.35Å; R179-E182 PolarHBondContact O-N 3.48Å; R179-Q183 WeakPolarHBondContact O-CB 3.42Å; R179-Q183 VanDerWaalsContact O-CG 3.27Å; R179-Q183 WeakPolarHBondContact O-CG 3.35Å; R179-Q183 PolarHBondContact O-N 3.36Å |
| 180 | I | 98.7 | Very high | 98.7 | Very high | 107 Ų | 107 | 109.3 Ų | 109.3 | 55% | 0.549 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -37 | 178.9 | -66.9 | 167.4 | 0 | 0 | 0 | 110.6 | E176 Q177 R178 L184 | E176-I180 WeakPolarHBondContact O-CG1 3.31Å; E176-I180 PolarHBondContact O-N 2.9Å; Q177-I180 PolarHBondContact O-N 3.41Å; R178-I180 PolarHBondContact O-N 3.37Å; I180-L184 WeakPolarHBondContact O-CB 3.34Å; I180-L184 PolarHBondContact O-N 3.47Å |
| 181 | T | 98.7 | Very high | 98.7 | Very high | 62 Ų | 62 | 114.1 Ų | 114.1 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -46.7 | 178 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | Q177 R178 R179 Q183 L184 E185 | Q177-T181 WeakPolarHBondContact O-CB 3.34Å; Q177-T181 PolarHBondContact O-N 3.47Å; Q177-T181 PolarHBondContact O-OG1 2.87Å; R178-T181 WeakPolarHBondContact O-CB 3.46Å; R178-T181 PolarHBondContact O-N 2.81Å; R178-T181 VanDerWaalsContact O-N 3.16Å; R179-T181 VanDerWaalsContact C-N 3.28Å; R179-T181 PolarHBondContact O-N 3.35Å; T181-Q183 PolarHBondContact O-N 3.43Å; T181-L184 PolarHBondContact O-N 2.93Å; T181-E185 WeakPolarHBondContact O-CG 3.35Å; T181-E185 PolarHBondContact O-N 3.35Å |
| 182 | E | 98.8 | Very high | 98.7 | Very high | 108 Ų | 108 | 115.5 Ų | 115.5 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 175.1 | -72.4 | 163.2 | -171 | 0 | 0 | 111 | R178 R179 L184 E185 E186 | R178-E182 WeakPolarHBondContact O-CG 3.39Å; R178-E182 PolarHBondContact O-N 3.34Å; R179-E182 PolarHBondContact O-N 3.48Å; E182-L184 PolarHBondContact O-N 3.05Å; E182-E185 PolarHBondContact O-N 3.25Å; E182-E186 WeakPolarHBondContact O-CG 3.37Å; E182-E186 PolarHBondContact O-N 2.93Å |
| 183 | Q | 98.8 | Very high | 98.7 | Very high | 115 Ų | 115 | 116.3 Ų | 116.3 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 175.7 | -74.9 | 173.8 | -14.3 | 0 | 0 | 112.6 | R179 T181 E185 E186 E187 | R179-Q183 WeakPolarHBondContact O-CB 3.42Å; R179-Q183 VanDerWaalsContact O-CG 3.27Å; R179-Q183 WeakPolarHBondContact O-CG 3.35Å; R179-Q183 PolarHBondContact O-N 3.36Å; T181-Q183 PolarHBondContact O-N 3.43Å; Q183-E185 VanDerWaalsContact C-N 3.33Å; Q183-E185 PolarHBondContact O-N 2.88Å; Q183-E186 PolarHBondContact O-N 2.68Å; Q183-E187 WeakPolarHBondContact O-CG 3.46Å; Q183-E187 PolarHBondContact O-N 2.95Å |
| 184 | L | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 117.3 Ų | 117.3 | 38% | 0.382 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 178.9 | -177.8 | 154.9 | 0 | 0 | 0 | 111.8 | I180 T181 E182 R188 | I180-L184 WeakPolarHBondContact O-CB 3.34Å; I180-L184 PolarHBondContact O-N 3.47Å; T181-L184 PolarHBondContact O-N 2.93Å; E182-L184 PolarHBondContact O-N 3.05Å; L184-R188 HydrophobicContact CD2-CG 4.32Å; L184-R188 VanDerWaalsContact CD2-NE 3.29Å; L184-R188 WeakPolarHBondContact O-CB 3.31Å; L184-R188 VanDerWaalsContact O-CG 3.26Å; L184-R188 WeakPolarHBondContact O-CG 3.46Å; L184-R188 PolarHBondContact O-N 3.03Å |
| 185 | E | 98.7 | Very high | 98.7 | Very high | 119 Ų | 119 | 117.3 Ų | 117.3 | 56% | 0.556 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.7 | -41.5 | 173.7 | -73.4 | 178.3 | 178.6 | 0 | 0 | 112.1 | T181 E182 Q183 R188 A189 | T181-E185 WeakPolarHBondContact O-CG 3.35Å; T181-E185 PolarHBondContact O-N 3.35Å; E182-E185 PolarHBondContact O-N 3.25Å; Q183-E185 VanDerWaalsContact C-N 3.33Å; Q183-E185 PolarHBondContact O-N 2.88Å; E185-R188 PolarHBondContact O-N 3.16Å; E185-A189 WeakPolarHBondContact O-CB 3.36Å; E185-A189 PolarHBondContact O-N 3.43Å |
| 186 | E | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 114.5 Ų | 114.5 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.4 | -48.4 | 173.8 | -73 | 174.8 | -175 | 0 | 0 | 111.8 | E182 Q183 R188 A189 Q190 | E182-E186 WeakPolarHBondContact O-CG 3.37Å; E182-E186 PolarHBondContact O-N 2.93Å; Q183-E186 PolarHBondContact O-N 2.68Å; E186-R188 VanDerWaalsContact C-N 3.32Å; E186-R188 PolarHBondContact O-N 2.88Å; E186-A189 WeakPolarHBondContact O-CB 3.28Å; E186-A189 PolarHBondContact O-N 3.22Å; E186-A189 VanDerWaalsContact O-N 3.12Å; E186-Q190 WeakPolarHBondContact O-CG 3.41Å; E186-Q190 PolarHBondContact O-N 3.36Å |
| 187 | E | 98.6 | Very high | 98.7 | Very high | 120 Ų | 120 | 112.6 Ų | 112.6 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.6 | -41.6 | 176.6 | -74.5 | -176.6 | 169.5 | 0 | 0 | 111.7 | Q183 A189 Q190 Y191 | Q183-E187 WeakPolarHBondContact O-CG 3.46Å; Q183-E187 PolarHBondContact O-N 2.95Å; E187-A189 VanDerWaalsContact C-N 3.33Å; E187-A189 PolarHBondContact O-N 3.25Å; E187-Q190 PolarHBondContact O-N 2.99Å; E187-Y191 WeakPolarHBondContact O-CB 3.41Å; E187-Y191 PolarHBondContact O-N 3Å |
| 188 | R | 98.7 | Very high | 98.7 | Very high | 172 Ų | 172 | 111.7 Ų | 111.7 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.6 | -40.3 | 174.1 | -78.5 | 178.7 | 177.4 | 179 | 1.3 | 111.9 | L184 E185 E186 Y191 K192 | L184-R188 HydrophobicContact CD2-CG 4.32Å; L184-R188 VanDerWaalsContact CD2-NE 3.29Å; L184-R188 WeakPolarHBondContact O-CB 3.31Å; L184-R188 VanDerWaalsContact O-CG 3.26Å; L184-R188 WeakPolarHBondContact O-CG 3.46Å; L184-R188 PolarHBondContact O-N 3.03Å; E185-R188 PolarHBondContact O-N 3.16Å; E186-R188 VanDerWaalsContact C-N 3.32Å; E186-R188 PolarHBondContact O-N 2.88Å; R188-Y191 PolarHBondContact O-N 3.02Å; R188-K192 WeakPolarHBondContact O-CB 3.49Å; R188-K192 PolarHBondContact O-N 3.45Å |
| 189 | A | 98.8 | Very high | 98.7 | Very high | 57 Ų | 57 | 108.2 Ų | 108.2 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E185 E186 E187 K192 Q193 | E185-A189 WeakPolarHBondContact O-CB 3.36Å; E185-A189 PolarHBondContact O-N 3.43Å; E186-A189 WeakPolarHBondContact O-CB 3.28Å; E186-A189 PolarHBondContact O-N 3.22Å; E186-A189 VanDerWaalsContact O-N 3.12Å; E187-A189 VanDerWaalsContact C-N 3.33Å; E187-A189 PolarHBondContact O-N 3.25Å; A189-K192 PolarHBondContact O-N 3.18Å; A189-Q193 WeakPolarHBondContact O-CB 3.19Å; A189-Q193 PolarHBondContact O-N 3.45Å |
| 190 | Q | 98.8 | Very high | 98.7 | Very high | 122 Ų | 122 | 107.3 Ų | 107.3 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.2 | -46.3 | 174.8 | -69 | 175.1 | 16.4 | 0 | 0 | 111.7 | E186 E187 K192 Q193 L194 | E186-Q190 WeakPolarHBondContact O-CG 3.41Å; E186-Q190 PolarHBondContact O-N 3.36Å; E187-Q190 PolarHBondContact O-N 2.99Å; Q190-K192 VanDerWaalsContact C-N 3.34Å; Q190-K192 PolarHBondContact O-N 2.65Å; Q190-Q193 WeakPolarHBondContact O-CB 3.43Å; Q190-Q193 PolarHBondContact O-N 2.85Å; Q190-L194 WeakPolarHBondContact O-CB 3.36Å; Q190-L194 PolarHBondContact O-N 3.12Å |
| 191 | Y | 98.7 | Very high | 98.7 | Very high | 175 Ų | 175 | 107.6 Ų | 107.6 | 69% | 0.686 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.2 | -42.7 | 176.1 | -103.8 | -79.9 | 0 | 0 | 0 | 112.3 | E187 R188 Q193 L194 S195 | E187-Y191 WeakPolarHBondContact O-CB 3.41Å; E187-Y191 PolarHBondContact O-N 3Å; R188-Y191 PolarHBondContact O-N 3.02Å; Y191-Q193 VanDerWaalsContact C-N 3.34Å; Y191-L194 PolarHBondContact O-N 3.37Å; Y191-S195 VanDerWaalsContact O-CB 3.28Å; Y191-S195 WeakPolarHBondContact O-CB 3.38Å; Y191-S195 PolarHBondContact O-N 3.03Å |
| 192 | K | 98.8 | Very high | 98.7 | Very high | 164 Ų | 164 | 107.9 Ų | 107.9 | 71% | 0.713 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 176.5 | -174.7 | 179.5 | 179.4 | -178.1 | 0 | 111.4 | R188 A189 Q190 C196 | R188-K192 WeakPolarHBondContact O-CB 3.49Å; R188-K192 PolarHBondContact O-N 3.45Å; A189-K192 PolarHBondContact O-N 3.18Å; Q190-K192 VanDerWaalsContact C-N 3.34Å; Q190-K192 PolarHBondContact O-N 2.65Å; K192-C196 VanDerWaalsContact O-CB 3.32Å; K192-C196 WeakPolarHBondContact O-CB 3.49Å; K192-C196 PolarHBondContact O-N 3.44Å |
| 193 | Q | 98.8 | Very high | 98.7 | Very high | 146 Ų | 146 | 110.2 Ų | 110.2 | 68% | 0.682 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.3 | -48 | 175.8 | -179.4 | 178.7 | -11.6 | 0 | 0 | 111.3 | A189 Q190 Y191 S195 C196 A197 | A189-Q193 WeakPolarHBondContact O-CB 3.19Å; A189-Q193 PolarHBondContact O-N 3.45Å; Q190-Q193 WeakPolarHBondContact O-CB 3.43Å; Q190-Q193 PolarHBondContact O-N 2.85Å; Y191-Q193 VanDerWaalsContact C-N 3.34Å; Q193-S195 PolarHBondContact O-N 2.77Å; Q193-C196 PolarHBondContact O-N 3.2Å; Q193-A197 WeakPolarHBondContact O-CB 3.32Å; Q193-A197 PolarHBondContact O-N 3.21Å |
| 194 | L | 98.8 | Very high | 98.7 | Very high | 116 Ų | 116 | 112 Ų | 112 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.3 | -44.8 | 177.9 | -177.7 | 64.8 | 0 | 0 | 0 | 111.5 | Q190 Y191 C196 A197 L198 | Q190-L194 WeakPolarHBondContact O-CB 3.36Å; Q190-L194 PolarHBondContact O-N 3.12Å; Y191-L194 PolarHBondContact O-N 3.37Å; L194-C196 VanDerWaalsContact C-N 3.34Å; L194-C196 PolarHBondContact O-N 3.27Å; L194-A197 PolarHBondContact O-N 3.26Å; L194-L198 WeakPolarHBondContact O-CB 3.4Å; L194-L198 PolarHBondContact O-N 3.22Å |
| 195 | S | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 110.9 Ų | 110.9 | 56% | 0.559 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.1 | -41.8 | 175.8 | -180 | 0 | 0 | 0 | 0 | 111.9 | Y191 Q193 L198 A199 | Y191-S195 VanDerWaalsContact O-CB 3.28Å; Y191-S195 WeakPolarHBondContact O-CB 3.38Å; Y191-S195 PolarHBondContact O-N 3.03Å; Q193-S195 PolarHBondContact O-N 2.77Å; S195-L198 PolarHBondContact O-N 2.97Å; S195-A199 VanDerWaalsContact O-CB 3.3Å; S195-A199 WeakPolarHBondContact O-CB 3.37Å; S195-A199 PolarHBondContact O-N 3.49Å |
| 196 | C | 98.7 | Very high | 98.7 | Very high | 61 Ų | 61 | 109 Ų | 109 | 41% | 0.412 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.9 | -42.8 | 175.6 | -174.7 | 0 | 0 | 0 | 0 | 112 | K192 Q193 L194 A199 K200 | K192-C196 VanDerWaalsContact O-CB 3.32Å; K192-C196 WeakPolarHBondContact O-CB 3.49Å; K192-C196 PolarHBondContact O-N 3.44Å; Q193-C196 PolarHBondContact O-N 3.2Å; L194-C196 VanDerWaalsContact C-N 3.34Å; L194-C196 PolarHBondContact O-N 3.27Å; C196-A199 PolarHBondContact O-N 2.99Å; C196-K200 WeakPolarHBondContact O-CG 3.3Å; C196-K200 PolarHBondContact O-N 3.1Å |
| 197 | A | 98.7 | Very high | 98.7 | Very high | 46 Ų | 46 | 105.7 Ų | 105.7 | 38% | 0.38 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q193 L194 A199 K200 E201 | Q193-A197 WeakPolarHBondContact O-CB 3.32Å; Q193-A197 PolarHBondContact O-N 3.21Å; L194-A197 PolarHBondContact O-N 3.26Å; A197-A199 VanDerWaalsContact C-N 3.31Å; A197-A199 PolarHBondContact O-N 3.41Å; A197-K200 WeakPolarHBondContact O-CB 3.43Å; A197-K200 PolarHBondContact O-N 3.37Å; A197-K200 VanDerWaalsContact O-N 3.07Å; A197-E201 PolarHBondContact O-N 3.06Å |
| 198 | L | 98.8 | Very high | 98.7 | Very high | 110 Ų | 110 | 105.6 Ų | 105.6 | 58% | 0.576 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.3 | -40.8 | 176.9 | -175.5 | 64.3 | 0 | 0 | 0 | 111.9 | L194 S195 K200 E201 C202 | L194-L198 WeakPolarHBondContact O-CB 3.4Å; L194-L198 PolarHBondContact O-N 3.22Å; S195-L198 PolarHBondContact O-N 2.97Å; L198-K200 VanDerWaalsContact C-N 3.3Å; L198-K200 PolarHBondContact O-N 3.31Å; L198-E201 PolarHBondContact O-N 2.88Å; L198-C202 WeakPolarHBondContact O-CB 3.44Å; L198-C202 PolarHBondContact O-N 2.97Å; L198-C202 PolarHBondContact O-SG 3.27Å; L198-C202 VanDerWaalsContact O-SG 3.33Å |
| 199 | A | 98.8 | Very high | 98.7 | Very high | 45 Ų | 45 | 100.4 Ų | 100.4 | 37% | 0.372 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -35.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | S195 C196 A197 K203 | S195-A199 VanDerWaalsContact O-CB 3.3Å; S195-A199 WeakPolarHBondContact O-CB 3.37Å; S195-A199 PolarHBondContact O-N 3.49Å; C196-A199 PolarHBondContact O-N 2.99Å; A197-A199 VanDerWaalsContact C-N 3.31Å; A197-A199 PolarHBondContact O-N 3.41Å; A199-K203 WeakPolarHBondContact O-CB 3.41Å; A199-K203 VanDerWaalsContact O-CG 3.25Å; A199-K203 WeakPolarHBondContact O-CG 3.42Å; A199-K203 PolarHBondContact O-N 3.37Å; A199-K203 VanDerWaalsContact O-N 3.12Å |
| 200 | K | 98.8 | Very high | 98.7 | Very high | 137 Ų | 137 | 103 Ų | 103 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67 | -45.4 | 173 | -71.5 | 172.3 | -178.8 | -179.9 | 0 | 111.1 | C196 A197 L198 K203 W204 | C196-K200 WeakPolarHBondContact O-CG 3.3Å; C196-K200 PolarHBondContact O-N 3.1Å; A197-K200 WeakPolarHBondContact O-CB 3.43Å; A197-K200 PolarHBondContact O-N 3.37Å; A197-K200 VanDerWaalsContact O-N 3.07Å; L198-K200 VanDerWaalsContact C-N 3.3Å; L198-K200 PolarHBondContact O-N 3.31Å; K200-K203 PolarHBondContact O-N 3.42Å; K200-W204 WeakPolarHBondContact O-CB 3.39Å; K200-W204 PolarHBondContact O-N 3.35Å |
| 201 | E | 98.5 | Very high | 98.7 | Very high | 113 Ų | 113 | 102.7 Ų | 102.7 | 53% | 0.528 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 176.6 | -69.7 | -56.5 | 138.8 | 0 | 0 | 111.9 | A197 L198 K203 W204 A205 | A197-E201 PolarHBondContact O-N 3.06Å; L198-E201 PolarHBondContact O-N 2.88Å; E201-K203 VanDerWaalsContact C-N 3.31Å; E201-K203 PolarHBondContact O-N 2.97Å; E201-W204 PolarHBondContact O-N 2.99Å; E201-A205 VanDerWaalsContact O-CB 3.32Å; E201-A205 WeakPolarHBondContact O-CB 3.41Å; E201-A205 PolarHBondContact O-N 2.92Å |
| 202 | C | 98.6 | Very high | 98.7 | Very high | 68 Ų | 68 | 98.7 Ų | 98.7 | 46% | 0.459 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 176 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | L198 S206 | L198-C202 WeakPolarHBondContact O-CB 3.44Å; L198-C202 PolarHBondContact O-N 2.97Å; L198-C202 PolarHBondContact O-SG 3.27Å; L198-C202 VanDerWaalsContact O-SG 3.33Å; C202-S206 VanDerWaalsContact O-CB 3.25Å; C202-S206 WeakPolarHBondContact O-CB 3.33Å; C202-S206 PolarHBondContact O-N 3.08Å; C202-S206 PolarHBondContact O-OG 3.45Å |
| 203 | K | 98.7 | Very high | 98.6 | Very high | 157 Ų | 157 | 92.5 Ų | 92.5 | 68% | 0.683 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.7 | -44.5 | 176.2 | -75.8 | 174 | -178 | -176.7 | 0 | 111.7 | A199 K200 E201 S206 A207 | A199-K203 WeakPolarHBondContact O-CB 3.41Å; A199-K203 VanDerWaalsContact O-CG 3.25Å; A199-K203 WeakPolarHBondContact O-CG 3.42Å; A199-K203 PolarHBondContact O-N 3.37Å; A199-K203 VanDerWaalsContact O-N 3.12Å; K200-K203 PolarHBondContact O-N 3.42Å; E201-K203 VanDerWaalsContact C-N 3.31Å; E201-K203 PolarHBondContact O-N 2.97Å; K203-S206 PolarHBondContact O-N 3.25Å; K203-A207 WeakPolarHBondContact O-CB 3.26Å; K203-A207 PolarHBondContact O-N 2.7Å |
| 204 | W | 98.8 | Very high | 98.6 | Very high | 153 Ų | 153 | 91 Ų | 91 | 58% | 0.58 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.2 | -48.8 | 178.2 | 176.8 | 84 | 0 | 0 | 0 | 111.6 | K200 E201 S206 A207 R208 | K200-W204 WeakPolarHBondContact O-CB 3.39Å; K200-W204 PolarHBondContact O-N 3.35Å; E201-W204 PolarHBondContact O-N 2.99Å; W204-S206 VanDerWaalsContact C-N 3.31Å; W204-S206 PolarHBondContact O-N 3.44Å; W204-A207 PolarHBondContact O-N 3.12Å; W204-R208 WeakPolarHBondContact O-CB 3.49Å; W204-R208 PolarHBondContact O-N 3.08Å |
| 205 | A | 98.6 | Very high | 98.6 | Very high | 49 Ų | 49 | 93.1 Ų | 93.1 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E201 R208 A209 | E201-A205 VanDerWaalsContact O-CB 3.32Å; E201-A205 WeakPolarHBondContact O-CB 3.41Å; E201-A205 PolarHBondContact O-N 2.92Å; A205-R208 PolarHBondContact O-N 2.99Å; A205-A209 WeakPolarHBondContact O-CB 3.45Å; A205-A209 PolarHBondContact O-N 3.49Å |
| 206 | S | 98.7 | Very high | 98.6 | Very high | 80 Ų | 80 | 95 Ų | 95 | 56% | 0.559 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.1 | -43.5 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | C202 K203 W204 A209 L210 | C202-S206 VanDerWaalsContact O-CB 3.25Å; C202-S206 WeakPolarHBondContact O-CB 3.33Å; C202-S206 PolarHBondContact O-N 3.08Å; C202-S206 PolarHBondContact O-OG 3.45Å; K203-S206 PolarHBondContact O-N 3.25Å; W204-S206 VanDerWaalsContact C-N 3.31Å; W204-S206 PolarHBondContact O-N 3.44Å; S206-A209 PolarHBondContact O-N 3.33Å; S206-L210 PolarHBondContact O-N 3.1Å; S206-L210 VanDerWaalsContact O-N 3.08Å |
| 207 | A | 98.7 | Very high | 98.6 | Very high | 48 Ų | 48 | 96.1 Ų | 96.1 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K203 W204 A209 L210 E211 | K203-A207 WeakPolarHBondContact O-CB 3.26Å; K203-A207 PolarHBondContact O-N 2.7Å; W204-A207 PolarHBondContact O-N 3.12Å; A207-A209 PolarHBondContact O-N 3.11Å; A207-L210 WeakPolarHBondContact O-CB 3.5Å; A207-L210 PolarHBondContact O-N 3Å; A207-E211 PolarHBondContact O-N 3.17Å |
| 208 | R | 98.6 | Very high | 98.6 | Very high | 118 Ų | 118 | 98.2 Ų | 98.2 | 45% | 0.445 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 178.7 | -168.5 | 159.6 | -167.7 | 81.6 | 5.3 | 112.8 | W204 A205 L210 E211 E212 | W204-R208 WeakPolarHBondContact O-CB 3.49Å; W204-R208 PolarHBondContact O-N 3.08Å; A205-R208 PolarHBondContact O-N 2.99Å; R208-L210 VanDerWaalsContact C-N 3.28Å; R208-L210 PolarHBondContact O-N 3Å; R208-E211 PolarHBondContact O-N 3.07Å; R208-E212 WeakPolarHBondContact O-CG 3.49Å; R208-E212 PolarHBondContact O-N 2.99Å |
| 209 | A | 98.6 | Very high | 98.6 | Very high | 64 Ų | 64 | 97.6 Ų | 97.6 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A205 S206 A207 G213 | A205-A209 WeakPolarHBondContact O-CB 3.45Å; A205-A209 PolarHBondContact O-N 3.49Å; S206-A209 PolarHBondContact O-N 3.33Å; A207-A209 PolarHBondContact O-N 3.11Å; A209-G213 PolarHBondContact O-N 3.44Å |
| 210 | L | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 99.1 Ų | 99.1 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.9 | -42.4 | 176.3 | -170.3 | 125.9 | 0 | 0 | 0 | 111.9 | S206 A207 R208 G213 H214 | S206-L210 PolarHBondContact O-N 3.1Å; S206-L210 VanDerWaalsContact O-N 3.08Å; A207-L210 WeakPolarHBondContact O-CB 3.5Å; A207-L210 PolarHBondContact O-N 3Å; R208-L210 VanDerWaalsContact C-N 3.28Å; R208-L210 PolarHBondContact O-N 3Å; L210-G213 PolarHBondContact O-N 3.47Å; L210-H214 WeakPolarHBondContact CD2-NE2 3.39Å; L210-H214 PolarHBondContact O-CD2 3.29Å; L210-H214 PolarHBondContact O-N 2.91Å |
| 211 | E | 98.4 | Very high | 98.6 | Very high | 114 Ų | 114 | 97.7 Ų | 97.7 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 174 | -73.5 | 172.9 | -174 | 0 | 0 | 112.4 | A207 R208 G213 H214 R215 | A207-E211 PolarHBondContact O-N 3.17Å; R208-E211 PolarHBondContact O-N 3.07Å; E211-G213 VanDerWaalsContact C-N 3.32Å; E211-G213 PolarHBondContact O-N 3.46Å; E211-H214 PolarHBondContact O-N 2.88Å; E211-R215 PolarHBondContact O-N 3.3Å |
| 212 | E | 98.3 | Very high | 98.6 | Very high | 91 Ų | 91 | 97 Ų | 97 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -35.7 | 176.5 | -68 | -59.2 | 158 | 0 | 0 | 111.9 | R208 R215 L216 | R208-E212 WeakPolarHBondContact O-CG 3.49Å; R208-E212 PolarHBondContact O-N 2.99Å; E212-R215 PolarHBondContact O-N 3.29Å; E212-L216 WeakPolarHBondContact O-CB 3.37Å; E212-L216 PolarHBondContact O-N 3Å |
| 213 | G | 98.5 | Very high | 98.6 | Very high | 35 Ų | 35 | 98 Ų | 98 | 36% | 0.361 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A209 L210 E211 R215 L216 T217 | A209-G213 PolarHBondContact O-N 3.44Å; L210-G213 PolarHBondContact O-N 3.47Å; E211-G213 VanDerWaalsContact C-N 3.32Å; E211-G213 PolarHBondContact O-N 3.46Å; G213-R215 PolarHBondContact O-N 3.01Å; G213-L216 PolarHBondContact O-N 3.14Å; G213-T217 WeakPolarHBondContact O-CG2 3.32Å; G213-T217 PolarHBondContact O-N 3.43Å |
| 214 | H | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 93.1 Ų | 93.1 | 53% | 0.532 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.8 | -73.3 | -53.3 | 0 | 0 | 0 | 112.2 | L210 E211 L216 T217 E218 | L210-H214 WeakPolarHBondContact CD2-NE2 3.39Å; L210-H214 PolarHBondContact O-CD2 3.29Å; L210-H214 PolarHBondContact O-N 2.91Å; E211-H214 PolarHBondContact O-N 2.88Å; H214-L216 VanDerWaalsContact C-N 3.33Å; H214-L216 PolarHBondContact O-N 3.08Å; H214-T217 WeakPolarHBondContact CA-OG1 3.33Å; H214-T217 PolarHBondContact O-N 2.91Å; H214-T217 PolarHBondContact O-OG1 2.83Å; H214-E218 PolarHBondContact O-N 3.32Å |
| 215 | R | 98.6 | Very high | 98.6 | Very high | 160 Ų | 160 | 92 Ų | 92 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.6 | -42.3 | 177.1 | -166.9 | -179.2 | -176.8 | 118.3 | 1.1 | 112.3 | E211 E212 G213 E218 L219 | E211-R215 PolarHBondContact O-N 3.3Å; E212-R215 PolarHBondContact O-N 3.29Å; G213-R215 PolarHBondContact O-N 3.01Å; R215-E218 PolarHBondContact O-N 3.19Å; R215-L219 WeakPolarHBondContact O-CG 3.34Å; R215-L219 PolarHBondContact O-N 2.9Å |
| 216 | L | 98.6 | Very high | 98.5 | Very high | 119 Ų | 119 | 95.2 Ų | 95.2 | 62% | 0.623 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 176.5 | -172.9 | 149 | 0 | 0 | 0 | 111.2 | E212 G213 H214 E218 L219 N220 | E212-L216 WeakPolarHBondContact O-CB 3.37Å; E212-L216 PolarHBondContact O-N 3Å; G213-L216 PolarHBondContact O-N 3.14Å; H214-L216 VanDerWaalsContact C-N 3.33Å; H214-L216 PolarHBondContact O-N 3.08Å; L216-E218 VanDerWaalsContact C-N 3.29Å; L216-E218 PolarHBondContact O-N 3.42Å; L216-L219 PolarHBondContact O-N 3.26Å; L216-N220 WeakPolarHBondContact O-CB 3.4Å; L216-N220 PolarHBondContact O-N 3.47Å |
| 217 | T | 98.5 | Very high | 98.5 | Very high | 85 Ų | 85 | 95.8 Ų | 95.8 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 176.5 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | G213 H214 N220 R221 | G213-T217 WeakPolarHBondContact O-CG2 3.32Å; G213-T217 PolarHBondContact O-N 3.43Å; H214-T217 WeakPolarHBondContact CA-OG1 3.33Å; H214-T217 PolarHBondContact O-N 2.91Å; H214-T217 PolarHBondContact O-OG1 2.83Å; T217-N220 PolarHBondContact O-N 2.93Å; T217-R221 WeakPolarHBondContact O-CB 3.19Å; T217-R221 PolarHBondContact O-N 3.43Å |
| 218 | E | 98.5 | Very high | 98.5 | Very high | 89 Ų | 89 | 97.8 Ų | 97.8 | 42% | 0.416 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 176.9 | -163.2 | -162.5 | 151.9 | 0 | 0 | 112.1 | H214 R215 L216 R221 K222 | H214-E218 PolarHBondContact O-N 3.32Å; R215-E218 PolarHBondContact O-N 3.19Å; L216-E218 VanDerWaalsContact C-N 3.29Å; L216-E218 PolarHBondContact O-N 3.42Å; E218-R221 WeakPolarHBondContact O-CB 3.47Å; E218-R221 PolarHBondContact O-N 3Å; E218-K222 WeakPolarHBondContact O-CG 3.42Å; E218-K222 PolarHBondContact O-N 3.28Å; E218-K222 WeakPolarHBondContact OE1-CE 3.33Å; E218-K222 IonicContact OE1-NZ 3.55Å; E218-K222 PolarHBondContact OE1-NZ 3.23Å |
| 219 | L | 98.4 | Very high | 98.5 | Very high | 98 Ų | 98 | 94.1 Ų | 94.1 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175.4 | -75.2 | 173.6 | 0 | 0 | 0 | 111.7 | R215 L216 R221 K222 L223 | R215-L219 WeakPolarHBondContact O-CG 3.34Å; R215-L219 PolarHBondContact O-N 2.9Å; L216-L219 PolarHBondContact O-N 3.26Å; L219-R221 VanDerWaalsContact C-N 3.32Å; L219-R221 PolarHBondContact O-N 2.98Å; L219-K222 WeakPolarHBondContact O-CB 3.46Å; L219-K222 PolarHBondContact O-N 3.5Å; L219-L223 PolarHBondContact O-N 3.14Å |
| 220 | N | 98.4 | Very high | 98.5 | Very high | 76 Ų | 76 | 93.2 Ų | 93.2 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 176.1 | -166.2 | 64.3 | 0 | 0 | 0 | 111.1 | L216 T217 K222 L223 D224 | L216-N220 WeakPolarHBondContact O-CB 3.4Å; L216-N220 PolarHBondContact O-N 3.47Å; T217-N220 PolarHBondContact O-N 2.93Å; N220-K222 VanDerWaalsContact C-N 3.27Å; N220-K222 PolarHBondContact O-N 3.27Å; N220-L223 WeakPolarHBondContact O-CB 3.35Å; N220-L223 PolarHBondContact O-N 3.14Å; N220-D224 PolarHBondContact ND2-OD2 2.62Å; N220-D224 VanDerWaalsContact ND2-OD2 3.07Å; N220-D224 VanDerWaalsContact O-CG 3.32Å; N220-D224 PolarHBondContact O-N 3.4Å |
| 221 | R | 98.7 | Very high | 98.5 | Very high | 107 Ų | 107 | 93.1 Ų | 93.1 | 40% | 0.404 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -34.6 | 173 | -168.9 | -163.9 | 55.1 | 58.5 | -6.5 | 112.6 | T217 E218 L219 K225 | T217-R221 WeakPolarHBondContact O-CB 3.19Å; T217-R221 PolarHBondContact O-N 3.43Å; E218-R221 WeakPolarHBondContact O-CB 3.47Å; E218-R221 PolarHBondContact O-N 3Å; L219-R221 VanDerWaalsContact C-N 3.32Å; L219-R221 PolarHBondContact O-N 2.98Å; R221-K225 WeakPolarHBondContact O-CG 3.35Å; R221-K225 PolarHBondContact O-N 3.41Å |
| 222 | K | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 91.4 Ų | 91.4 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.2 | -43.6 | 174.6 | -71.8 | 172.6 | -174.8 | 165.3 | 0 | 111 | E218 L219 N220 D224 K225 E226 | E218-K222 WeakPolarHBondContact O-CG 3.42Å; E218-K222 PolarHBondContact O-N 3.28Å; E218-K222 WeakPolarHBondContact OE1-CE 3.33Å; E218-K222 IonicContact OE1-NZ 3.55Å; E218-K222 PolarHBondContact OE1-NZ 3.23Å; L219-K222 WeakPolarHBondContact O-CB 3.46Å; L219-K222 PolarHBondContact O-N 3.5Å; N220-K222 VanDerWaalsContact C-N 3.27Å; N220-K222 PolarHBondContact O-N 3.27Å; K222-D224 PolarHBondContact O-N 3.24Å; K222-K225 PolarHBondContact O-N 2.76Å; K222-E226 PolarHBondContact O-N 2.91Å |
| 223 | L | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 92.1 Ų | 92.1 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.4 | 176.4 | 64.1 | 0 | 0 | 0 | 111.8 | L219 N220 E226 K227 | L219-L223 PolarHBondContact O-N 3.14Å; N220-L223 WeakPolarHBondContact O-CB 3.35Å; N220-L223 PolarHBondContact O-N 3.14Å; L223-E226 WeakPolarHBondContact O-CB 3.49Å; L223-E226 PolarHBondContact O-N 3.43Å; L223-K227 HydrophobicContact CD1-CG 4.47Å; L223-K227 HydrophobicContact CG-CD 4.48Å; L223-K227 WeakPolarHBondContact O-CG 3.42Å; L223-K227 PolarHBondContact O-N 3.06Å |
| 224 | D | 98.5 | Very high | 98.5 | Very high | 56 Ų | 56 | 97.9 Ų | 97.9 | 30% | 0.299 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 179.7 | -67 | -27.3 | 0 | 0 | 0 | 111.4 | N220 K222 E226 K227 D228 | N220-D224 PolarHBondContact ND2-OD2 2.62Å; N220-D224 VanDerWaalsContact ND2-OD2 3.07Å; N220-D224 VanDerWaalsContact O-CG 3.32Å; N220-D224 PolarHBondContact O-N 3.4Å; K222-D224 PolarHBondContact O-N 3.24Å; D224-E226 VanDerWaalsContact C-N 3.31Å; D224-E226 PolarHBondContact O-N 3.47Å; D224-K227 WeakPolarHBondContact O-CB 3.34Å; D224-K227 PolarHBondContact O-N 2.99Å; D224-K227 IonicContact OD1-NZ 3.88Å; D224-K227 PolarHBondContact OD1-NZ 2.91Å; D224-D228 VanDerWaalsContact O-CG 3.23Å; D224-D228 PolarHBondContact O-N 3.3Å |
| 225 | K | 98.6 | Very high | 98.5 | Very high | 128 Ų | 128 | 98.7 Ų | 98.7 | 56% | 0.557 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58 | -42.8 | 170.7 | -73.9 | 177.7 | 175.4 | -174 | 0 | 112.5 | R221 K222 D228 A229 | R221-K225 WeakPolarHBondContact O-CG 3.35Å; R221-K225 PolarHBondContact O-N 3.41Å; K222-K225 PolarHBondContact O-N 2.76Å; K225-D228 PolarHBondContact O-N 3.34Å; K225-A229 WeakPolarHBondContact O-CB 3.45Å; K225-A229 PolarHBondContact O-N 3.48Å |
| 226 | E | 98.3 | Very high | 98.4 | Very high | 117 Ų | 117 | 95.8 Ų | 95.8 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 177.8 | -168.7 | 59.4 | -141.1 | 0 | 0 | 111.7 | K222 L223 D224 D228 A229 C230 | K222-E226 PolarHBondContact O-N 2.91Å; L223-E226 WeakPolarHBondContact O-CB 3.49Å; L223-E226 PolarHBondContact O-N 3.43Å; D224-E226 VanDerWaalsContact C-N 3.31Å; D224-E226 PolarHBondContact O-N 3.47Å; E226-D228 VanDerWaalsContact C-N 3.34Å; E226-D228 PolarHBondContact O-N 3.37Å; E226-A229 PolarHBondContact O-N 2.89Å; E226-C230 WeakPolarHBondContact O-CB 3.32Å; E226-C230 PolarHBondContact O-N 3.2Å; E226-C230 PolarHBondContact O-SG 3.4Å; E226-C230 VanDerWaalsContact O-SG 3.33Å |
| 227 | K | 98.4 | Very high | 98.4 | Very high | 92 Ų | 92 | 94.3 Ų | 94.3 | 40% | 0.4 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 173.5 | -73.3 | 175.3 | -169.8 | 151.2 | 0 | 111.3 | L223 D224 C230 Q231 | L223-K227 HydrophobicContact CD1-CG 4.47Å; L223-K227 HydrophobicContact CG-CD 4.48Å; L223-K227 WeakPolarHBondContact O-CG 3.42Å; L223-K227 PolarHBondContact O-N 3.06Å; D224-K227 WeakPolarHBondContact O-CB 3.34Å; D224-K227 PolarHBondContact O-N 2.99Å; D224-K227 IonicContact OD1-NZ 3.88Å; D224-K227 PolarHBondContact OD1-NZ 2.91Å; K227-C230 PolarHBondContact O-N 3.48Å; K227-Q231 WeakPolarHBondContact O-CB 3.43Å; K227-Q231 VanDerWaalsContact O-CG 3.25Å; K227-Q231 WeakPolarHBondContact O-CG 3.44Å; K227-Q231 PolarHBondContact O-N 3.43Å; K227-Q231 PolarHBondContact O-NE2 3Å |
| 228 | D | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.6 | -66.7 | -18.5 | 0 | 0 | 0 | 111 | D224 K225 E226 Q231 T232 | D224-D228 VanDerWaalsContact O-CG 3.23Å; D224-D228 PolarHBondContact O-N 3.3Å; K225-D228 PolarHBondContact O-N 3.34Å; E226-D228 VanDerWaalsContact C-N 3.34Å; E226-D228 PolarHBondContact O-N 3.37Å; D228-Q231 PolarHBondContact O-N 3.49Å; D228-T232 PolarHBondContact O-N 2.92Å; D228-T232 PolarHBondContact O-OG1 2.91Å |
| 229 | A | 98.5 | Very high | 98.4 | Very high | 41 Ų | 41 | 95.3 Ų | 95.3 | 34% | 0.339 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -48 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K225 E226 Q231 T232 L233 | K225-A229 WeakPolarHBondContact O-CB 3.45Å; K225-A229 PolarHBondContact O-N 3.48Å; E226-A229 PolarHBondContact O-N 2.89Å; A229-Q231 VanDerWaalsContact C-N 3.32Å; A229-Q231 PolarHBondContact O-N 3.27Å; A229-T232 WeakPolarHBondContact O-CB 3.34Å; A229-T232 PolarHBondContact O-N 3.33Å; A229-T232 VanDerWaalsContact O-N 3.17Å; A229-L233 WeakPolarHBondContact O-CG 3.45Å; A229-L233 PolarHBondContact O-N 3.28Å |
| 230 | C | 98.1 | Very high | 98.4 | Very high | 45 Ų | 45 | 95.6 Ų | 95.6 | 30% | 0.304 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 175.4 | -78 | 0 | 0 | 0 | 0 | 112.5 | E226 K227 R234 | E226-C230 WeakPolarHBondContact O-CB 3.32Å; E226-C230 PolarHBondContact O-N 3.2Å; E226-C230 PolarHBondContact O-SG 3.4Å; E226-C230 VanDerWaalsContact O-SG 3.33Å; K227-C230 PolarHBondContact O-N 3.48Å; C230-R234 WeakPolarHBondContact O-CG 3.29Å; C230-R234 PolarHBondContact O-N 2.9Å |
| 231 | Q | 98.4 | Very high | 98.4 | Very high | 110 Ų | 110 | 99.1 Ų | 99.1 | 51% | 0.514 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 175.4 | -78.2 | 171.4 | 62.1 | 0 | 0 | 111.5 | K227 D228 A229 R234 K235 | K227-Q231 WeakPolarHBondContact O-CB 3.43Å; K227-Q231 VanDerWaalsContact O-CG 3.25Å; K227-Q231 WeakPolarHBondContact O-CG 3.44Å; K227-Q231 PolarHBondContact O-N 3.43Å; K227-Q231 PolarHBondContact O-NE2 3Å; D228-Q231 PolarHBondContact O-N 3.49Å; A229-Q231 VanDerWaalsContact C-N 3.32Å; A229-Q231 PolarHBondContact O-N 3.27Å; Q231-R234 PolarHBondContact O-N 3.45Å; Q231-K235 PolarHBondContact O-N 3.41Å |
| 232 | T | 98.4 | Very high | 98.4 | Very high | 77 Ų | 77 | 98.6 Ų | 98.6 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 176.7 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | D228 A229 R234 K235 E236 | D228-T232 PolarHBondContact O-N 2.92Å; D228-T232 PolarHBondContact O-OG1 2.91Å; A229-T232 WeakPolarHBondContact O-CB 3.34Å; A229-T232 PolarHBondContact O-N 3.33Å; A229-T232 VanDerWaalsContact O-N 3.17Å; T232-R234 VanDerWaalsContact C-N 3.33Å; T232-R234 PolarHBondContact O-N 3.41Å; T232-K235 WeakPolarHBondContact O-CB 3.48Å; T232-K235 PolarHBondContact O-N 3.37Å; T232-K235 VanDerWaalsContact O-N 3.15Å; T232-E236 WeakPolarHBondContact O-CG 3.4Å; T232-E236 PolarHBondContact O-N 3.23Å |
| 233 | L | 98.3 | Very high | 98.3 | Very high | 107 Ų | 107 | 98.8 Ų | 98.8 | 56% | 0.56 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.9 | -37.3 | 177.6 | -70.1 | 173.8 | 0 | 0 | 0 | 113.1 | A229 E236 L237 | A229-L233 WeakPolarHBondContact O-CG 3.45Å; A229-L233 PolarHBondContact O-N 3.28Å; L233-E236 PolarHBondContact O-N 2.89Å; L233-L237 VanDerWaalsContact O-CB 3.31Å; L233-L237 WeakPolarHBondContact O-CB 3.33Å; L233-L237 PolarHBondContact O-N 3.19Å |
| 234 | R | 98.3 | Very high | 98.3 | Very high | 156 Ų | 156 | 96.8 Ų | 96.8 | 59% | 0.589 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 174.6 | -78.2 | -178.8 | -168.3 | 125 | 3.6 | 111.7 | C230 Q231 T232 L237 E238 | C230-R234 WeakPolarHBondContact O-CG 3.29Å; C230-R234 PolarHBondContact O-N 2.9Å; Q231-R234 PolarHBondContact O-N 3.45Å; T232-R234 VanDerWaalsContact C-N 3.33Å; T232-R234 PolarHBondContact O-N 3.41Å; R234-L237 PolarHBondContact O-N 3.48Å; R234-E238 PolarHBondContact O-N 2.92Å |
| 235 | K | 98.4 | Very high | 98.3 | Very high | 131 Ų | 131 | 98.9 Ų | 98.9 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.1 | -46.3 | 177 | -172.5 | -174.5 | 175.4 | -166.4 | 0 | 111 | Q231 T232 L237 E238 E239 | Q231-K235 PolarHBondContact O-N 3.41Å; T232-K235 WeakPolarHBondContact O-CB 3.48Å; T232-K235 PolarHBondContact O-N 3.37Å; T232-K235 VanDerWaalsContact O-N 3.15Å; K235-L237 VanDerWaalsContact C-N 3.3Å; K235-L237 PolarHBondContact O-N 3.32Å; K235-E238 PolarHBondContact O-N 3.33Å; K235-E239 VanDerWaalsContact CE-OE1 3.28Å; K235-E239 WeakPolarHBondContact CE-OE1 3.42Å; K235-E239 IonicContact NZ-OE1 2.62Å; K235-E239 WeakPolarHBondContact O-CG 3.46Å; K235-E239 PolarHBondContact O-N 3.39Å |
| 236 | E | 98.3 | Very high | 98.2 | Very high | 100 Ų | 100 | 100 Ų | 100 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 175.8 | -70.8 | 174.6 | -179.4 | 0 | 0 | 112 | T232 L233 E239 E240 | T232-E236 WeakPolarHBondContact O-CG 3.4Å; T232-E236 PolarHBondContact O-N 3.23Å; L233-E236 PolarHBondContact O-N 2.89Å; E236-E239 PolarHBondContact O-N 3.07Å; E236-E240 PolarHBondContact O-N 2.89Å |
| 237 | L | 98.4 | Very high | 98.2 | Very high | 87 Ų | 87 | 100.5 Ų | 100.5 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 175.9 | 179.9 | 65.1 | 0 | 0 | 0 | 112.3 | L233 R234 K235 E240 R241 | L233-L237 VanDerWaalsContact O-CB 3.31Å; L233-L237 WeakPolarHBondContact O-CB 3.33Å; L233-L237 PolarHBondContact O-N 3.19Å; R234-L237 PolarHBondContact O-N 3.48Å; K235-L237 VanDerWaalsContact C-N 3.3Å; K235-L237 PolarHBondContact O-N 3.32Å; L237-E240 PolarHBondContact O-N 2.89Å; L237-R241 WeakPolarHBondContact O-CB 3.41Å; L237-R241 VanDerWaalsContact O-CG 3.3Å; L237-R241 WeakPolarHBondContact O-CG 3.46Å; L237-R241 PolarHBondContact O-N 3.1Å |
| 238 | E | 98.3 | Very high | 98.2 | Very high | 119 Ų | 119 | 101.5 Ų | 101.5 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -43 | 174.6 | -79.9 | 171.9 | -163.2 | 0 | 0 | 111.6 | R234 K235 E240 R241 M242 | R234-E238 PolarHBondContact O-N 2.92Å; K235-E238 PolarHBondContact O-N 3.33Å; E238-E240 PolarHBondContact O-N 3.34Å; E238-R241 PolarHBondContact O-N 3.47Å; E238-M242 VanDerWaalsContact O-CG 3.29Å; E238-M242 WeakPolarHBondContact O-CG 3.3Å; E238-M242 PolarHBondContact O-N 2.77Å |
| 239 | E | 98.1 | Very high | 98.1 | Very high | 76 Ų | 76 | 99.7 Ų | 99.7 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 175.3 | -69.7 | 176 | -171.8 | 0 | 0 | 111.9 | K235 E236 M242 R243 | K235-E239 VanDerWaalsContact CE-OE1 3.28Å; K235-E239 WeakPolarHBondContact CE-OE1 3.42Å; K235-E239 IonicContact NZ-OE1 2.62Å; K235-E239 WeakPolarHBondContact O-CG 3.46Å; K235-E239 PolarHBondContact O-N 3.39Å; E236-E239 PolarHBondContact O-N 3.07Å; E239-M242 PolarHBondContact O-N 2.87Å; E239-R243 WeakPolarHBondContact O-CG 3.28Å; E239-R243 PolarHBondContact O-N 3.22Å; E239-R243 IonicContact OE2-NH2 3.18Å; E239-R243 PolarHBondContact OE2-NH2 3.43Å |
| 240 | E | 97.7 | Very high | 98.1 | Very high | 104 Ų | 104 | 105.7 Ų | 105.7 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.9 | -88.1 | -55.1 | 141.3 | 0 | 0 | 112 | E236 L237 E238 M242 R243 A244 | E236-E240 PolarHBondContact O-N 2.89Å; L237-E240 PolarHBondContact O-N 2.89Å; E238-E240 PolarHBondContact O-N 3.34Å; E240-M242 VanDerWaalsContact C-N 3.27Å; E240-M242 PolarHBondContact O-N 3.35Å; E240-R243 VanDerWaalsContact CG-NH1 3.29Å; E240-R243 WeakPolarHBondContact O-CB 3.34Å; E240-R243 PolarHBondContact O-N 3.33Å; E240-R243 IonicContact OE1-CZ 3.63Å; E240-R243 IonicContact OE1-NE 3.24Å; E240-R243 IonicContact OE1-NH1 3.57Å; E240-R243 PolarHBondContact OE1-NH1 3.46Å; E240-R243 IonicContact OE2-NH1 2.68Å; E240-A244 WeakPolarHBondContact O-CB 3.26Å; E240-A244 PolarHBondContact O-N 2.99Å |
| 241 | R | 98.3 | Very high | 98.1 | Very high | 151 Ų | 151 | 107 Ų | 107 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.7 | -43.2 | 173.8 | -76.7 | 171.8 | 175.2 | 173.5 | -1.5 | 111.6 | L237 E238 A244 L245 | L237-R241 WeakPolarHBondContact O-CB 3.41Å; L237-R241 VanDerWaalsContact O-CG 3.3Å; L237-R241 WeakPolarHBondContact O-CG 3.46Å; L237-R241 PolarHBondContact O-N 3.1Å; E238-R241 PolarHBondContact O-N 3.47Å; R241-A244 PolarHBondContact O-N 3.49Å; R241-L245 WeakPolarHBondContact O-CG 3.47Å; R241-L245 PolarHBondContact O-N 2.97Å |
| 242 | M | 98.4 | Very high | 98 | Very high | 95 Ų | 95 | 107.3 Ų | 107.3 | 47% | 0.468 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -36 | 176 | -67.5 | -64.2 | -67.7 | 0 | 0 | 112.2 | E238 E239 E240 L245 R246 | E238-M242 VanDerWaalsContact O-CG 3.29Å; E238-M242 WeakPolarHBondContact O-CG 3.3Å; E238-M242 PolarHBondContact O-N 2.77Å; E239-M242 PolarHBondContact O-N 2.87Å; E240-M242 VanDerWaalsContact C-N 3.27Å; E240-M242 PolarHBondContact O-N 3.35Å; M242-L245 HydrophobicContact SD-CD1 4.38Å; M242-R246 VanDerWaalsContact O-CG 3.31Å; M242-R246 WeakPolarHBondContact O-CG 3.46Å; M242-R246 PolarHBondContact O-N 3.37Å; M242-R246 PolarHBondContact O-NH1 2.91Å |
| 243 | R | 98.3 | Very high | 98 | Very high | 104 Ų | 104 | 109.3 Ų | 109.3 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 173.5 | -71.4 | -180 | -153.8 | 98.7 | 8.6 | 111.1 | E239 E240 R246 M247 | E239-R243 WeakPolarHBondContact O-CG 3.28Å; E239-R243 PolarHBondContact O-N 3.22Å; E239-R243 IonicContact OE2-NH2 3.18Å; E239-R243 PolarHBondContact OE2-NH2 3.43Å; E240-R243 VanDerWaalsContact CG-NH1 3.29Å; E240-R243 WeakPolarHBondContact O-CB 3.34Å; E240-R243 PolarHBondContact O-N 3.33Å; E240-R243 IonicContact OE1-CZ 3.63Å; E240-R243 IonicContact OE1-NE 3.24Å; E240-R243 IonicContact OE1-NH1 3.57Å; E240-R243 PolarHBondContact OE1-NH1 3.46Å; E240-R243 IonicContact OE2-NH1 2.68Å; R243-R246 PolarHBondContact O-N 3.33Å; R243-M247 WeakPolarHBondContact O-CB 3.32Å; R243-M247 PolarHBondContact O-N 3.02Å |
| 244 | A | 97.9 | Very high | 98 | Very high | 46 Ų | 46 | 108.5 Ų | 108.5 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E240 R241 R246 M247 E248 | E240-A244 WeakPolarHBondContact O-CB 3.26Å; E240-A244 PolarHBondContact O-N 2.99Å; R241-A244 PolarHBondContact O-N 3.49Å; A244-R246 VanDerWaalsContact C-N 3.34Å; A244-R246 PolarHBondContact O-N 2.92Å; A244-M247 WeakPolarHBondContact O-CB 3.41Å; A244-M247 PolarHBondContact O-N 3.43Å; A244-M247 VanDerWaalsContact O-N 3.12Å; A244-E248 WeakPolarHBondContact O-CB 3.3Å; A244-E248 PolarHBondContact O-N 3.35Å |
| 245 | L | 98 | Very high | 98 | Very high | 99 Ų | 99 | 105.8 Ų | 105.8 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 175.9 | -77.8 | 166.2 | 0 | 0 | 0 | 112.8 | R241 M242 M247 E248 A249 | R241-L245 WeakPolarHBondContact O-CG 3.47Å; R241-L245 PolarHBondContact O-N 2.97Å; M242-L245 HydrophobicContact SD-CD1 4.38Å; L245-M247 VanDerWaalsContact C-N 3.34Å; L245-E248 PolarHBondContact O-N 2.88Å; L245-A249 WeakPolarHBondContact O-CB 3.41Å; L245-A249 PolarHBondContact O-N 3.19Å |
| 246 | R | 97.9 | Very high | 97.9 | Very high | 152 Ų | 152 | 102.2 Ų | 102.2 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.2 | -38.8 | 176.2 | -71.2 | -179.7 | -157.3 | 100.7 | -6.3 | 112.1 | M242 R243 A244 R250 | M242-R246 VanDerWaalsContact O-CG 3.31Å; M242-R246 WeakPolarHBondContact O-CG 3.46Å; M242-R246 PolarHBondContact O-N 3.37Å; M242-R246 PolarHBondContact O-NH1 2.91Å; R243-R246 PolarHBondContact O-N 3.33Å; A244-R246 VanDerWaalsContact C-N 3.34Å; A244-R246 PolarHBondContact O-N 2.92Å; R246-R250 WeakPolarHBondContact O-CB 3.27Å; R246-R250 PolarHBondContact O-N 3.38Å; R246-R250 VanDerWaalsContact O-N 3.08Å |
| 247 | M | 97.8 | Very high | 97.9 | Very high | 128 Ų | 128 | 102.1 Ų | 102.1 | 63% | 0.631 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.9 | -41.6 | 177.9 | -175.6 | 173.8 | 63.5 | 0 | 0 | 111 | R243 A244 L245 R250 V251 | R243-M247 WeakPolarHBondContact O-CB 3.32Å; R243-M247 PolarHBondContact O-N 3.02Å; A244-M247 WeakPolarHBondContact O-CB 3.41Å; A244-M247 PolarHBondContact O-N 3.43Å; A244-M247 VanDerWaalsContact O-N 3.12Å; L245-M247 VanDerWaalsContact C-N 3.34Å; M247-R250 PolarHBondContact O-N 3.18Å; M247-V251 WeakPolarHBondContact O-CG2 3.47Å; M247-V251 PolarHBondContact O-N 3.45Å |
| 248 | E | 97.1 | Very high | 97.9 | Very high | 112 Ų | 112 | 104 Ų | 104 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -53 | 174 | -176.7 | 170.5 | -153.6 | 0 | 0 | 111 | A244 L245 R250 V251 E252 | A244-E248 WeakPolarHBondContact O-CB 3.3Å; A244-E248 PolarHBondContact O-N 3.35Å; L245-E248 PolarHBondContact O-N 2.88Å; E248-R250 VanDerWaalsContact C-N 3.25Å; E248-R250 PolarHBondContact O-N 3.49Å; E248-V251 PolarHBondContact O-N 3.33Å; E248-E252 PolarHBondContact O-N 2.93Å |
| 249 | A | 97.8 | Very high | 97.9 | Very high | 53 Ų | 53 | 102.1 Ų | 102.1 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.6 | -37.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L245 E252 E253 | L245-A249 WeakPolarHBondContact O-CB 3.41Å; L245-A249 PolarHBondContact O-N 3.19Å; A249-E252 PolarHBondContact O-N 3.34Å; A249-E253 WeakPolarHBondContact O-CB 3.48Å; A249-E253 PolarHBondContact O-N 2.66Å |
| 250 | R | 97.8 | Very high | 97.8 | Very high | 167 Ų | 167 | 102.2 Ų | 102.2 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.3 | -39 | 176.2 | -174.1 | -177.5 | -178.8 | -166.5 | 0.3 | 112.3 | R246 M247 E248 Q254 | R246-R250 WeakPolarHBondContact O-CB 3.27Å; R246-R250 PolarHBondContact O-N 3.38Å; R246-R250 VanDerWaalsContact O-N 3.08Å; M247-R250 PolarHBondContact O-N 3.18Å; E248-R250 VanDerWaalsContact C-N 3.25Å; E248-R250 PolarHBondContact O-N 3.49Å; R250-Q254 WeakPolarHBondContact O-CG 3.49Å; R250-Q254 PolarHBondContact O-N 3.4Å; R250-Q254 VanDerWaalsContact O-N 3.11Å |
| 251 | V | 98.2 | Very high | 97.8 | Very high | 73 Ų | 73 | 102.2 Ų | 102.2 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | M247 E248 Q254 L255 | M247-V251 WeakPolarHBondContact O-CG2 3.47Å; M247-V251 PolarHBondContact O-N 3.45Å; E248-V251 PolarHBondContact O-N 3.33Å; V251-Q254 PolarHBondContact O-N 3.39Å; V251-L255 HydrophobicContact CG1-CD1 4.11Å; V251-L255 WeakPolarHBondContact O-CG 3.44Å; V251-L255 PolarHBondContact O-N 3.41Å |
| 252 | E | 97.4 | Very high | 97.8 | Very high | 117 Ų | 117 | 100.7 Ų | 100.7 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 173.4 | -71.1 | -179.8 | 164.6 | 0 | 0 | 112.2 | E248 A249 L255 A256 | E248-E252 PolarHBondContact O-N 2.93Å; A249-E252 PolarHBondContact O-N 3.34Å; E252-L255 PolarHBondContact O-N 3.19Å; E252-A256 WeakPolarHBondContact O-CB 3.34Å; E252-A256 PolarHBondContact O-N 2.89Å |
| 253 | E | 97.9 | Very high | 97.7 | Very high | 119 Ų | 119 | 101.2 Ų | 101.2 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.5 | -49 | 174.3 | -176.4 | 176.7 | -155.1 | 0 | 0 | 111.3 | A249 L255 A256 E257 | A249-E253 WeakPolarHBondContact O-CB 3.48Å; A249-E253 PolarHBondContact O-N 2.66Å; E253-L255 VanDerWaalsContact C-N 3.33Å; E253-L255 PolarHBondContact O-N 3.25Å; E253-A256 PolarHBondContact O-N 3.46Å; E253-E257 WeakPolarHBondContact O-CG 3.45Å; E253-E257 PolarHBondContact O-N 2.84Å |
| 254 | Q | 98.1 | Very high | 97.7 | Very high | 89 Ų | 89 | 101.1 Ų | 101.1 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 176.6 | -71.3 | -169.7 | -42.5 | 0 | 0 | 112.7 | R250 V251 E257 F258 | R250-Q254 WeakPolarHBondContact O-CG 3.49Å; R250-Q254 PolarHBondContact O-N 3.4Å; R250-Q254 VanDerWaalsContact O-N 3.11Å; V251-Q254 PolarHBondContact O-N 3.39Å; Q254-E257 WeakPolarHBondContact O-CB 3.49Å; Q254-E257 PolarHBondContact O-N 3.25Å; Q254-F258 WeakPolarHBondContact O-CD2 3.47Å; Q254-F258 PolarHBondContact O-N 3.47Å |
| 255 | L | 97.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 104.1 Ų | 104.1 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 175.7 | -76.6 | 168 | 0 | 0 | 0 | 111.5 | V251 E252 E253 F258 D259 | V251-L255 HydrophobicContact CG1-CD1 4.11Å; V251-L255 WeakPolarHBondContact O-CG 3.44Å; V251-L255 PolarHBondContact O-N 3.41Å; E252-L255 PolarHBondContact O-N 3.19Å; E253-L255 VanDerWaalsContact C-N 3.33Å; E253-L255 PolarHBondContact O-N 3.25Å; L255-F258 PolarHBondContact O-N 3.07Å; L255-D259 WeakPolarHBondContact O-CB 3.39Å; L255-D259 PolarHBondContact O-N 3.29Å |
| 256 | A | 97.6 | Very high | 97.6 | Very high | 55 Ų | 55 | 105.1 Ų | 105.1 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E252 E253 D259 T260 | E252-A256 WeakPolarHBondContact O-CB 3.34Å; E252-A256 PolarHBondContact O-N 2.89Å; E253-A256 PolarHBondContact O-N 3.46Å; A256-D259 PolarHBondContact O-N 3.4Å; A256-T260 WeakPolarHBondContact O-CG2 3.35Å; A256-T260 PolarHBondContact O-N 3.46Å; A256-T260 PolarHBondContact O-OG1 3.04Å |
| 257 | E | 97.4 | Very high | 97.5 | Very high | 98 Ų | 98 | 100.3 Ų | 100.3 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.2 | -53.8 | 172.4 | -72.3 | 174.8 | 173.5 | 0 | 0 | 110.9 | E253 Q254 D259 T260 E261 | E253-E257 WeakPolarHBondContact O-CG 3.45Å; E253-E257 PolarHBondContact O-N 2.84Å; Q254-E257 WeakPolarHBondContact O-CB 3.49Å; Q254-E257 PolarHBondContact O-N 3.25Å; E257-D259 VanDerWaalsContact C-N 3.29Å; E257-D259 PolarHBondContact O-N 3.28Å; E257-T260 PolarHBondContact O-N 3.09Å; E257-T260 VanDerWaalsContact O-N 3.14Å; E257-T260 PolarHBondContact O-OG1 3.48Å; E257-E261 WeakPolarHBondContact O-CG 3.36Å; E257-E261 PolarHBondContact O-N 2.93Å |
| 258 | F | 97.9 | Very high | 97.5 | Very high | 128 Ų | 128 | 101.8 Ų | 101.8 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.3 | -37.4 | 177.8 | -77.4 | -58.9 | 0 | 0 | 0 | 113.2 | Q254 L255 E261 R262 | Q254-F258 WeakPolarHBondContact O-CD2 3.47Å; Q254-F258 PolarHBondContact O-N 3.47Å; L255-F258 PolarHBondContact O-N 3.07Å; F258-E261 PolarHBondContact O-N 2.81Å; F258-R262 VanDerWaalsContact O-CB 3.23Å; F258-R262 WeakPolarHBondContact O-CB 3.35Å; F258-R262 PolarHBondContact O-N 2.89Å |
| 259 | D | 97.9 | Very high | 97.4 | Very high | 78 Ų | 78 | 101.2 Ų | 101.2 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 176.4 | -87.3 | -24.9 | 0 | 0 | 0 | 112.1 | L255 A256 E257 R262 E263 | L255-D259 WeakPolarHBondContact O-CB 3.39Å; L255-D259 PolarHBondContact O-N 3.29Å; A256-D259 PolarHBondContact O-N 3.4Å; E257-D259 VanDerWaalsContact C-N 3.29Å; E257-D259 PolarHBondContact O-N 3.28Å; D259-R262 PolarHBondContact O-N 3.49Å; D259-R262 IonicContact OD1-CZ 3.2Å; D259-R262 IonicContact OD1-NE 2.64Å; D259-R262 IonicContact OD1-NH1 3.28Å; D259-R262 IonicContact OD1-NH2 3.08Å; D259-R262 PolarHBondContact OD1-NH2 2.81Å; D259-E263 WeakPolarHBondContact O-CB 3.32Å; D259-E263 PolarHBondContact O-N 3.25Å |
| 260 | T | 97.4 | Very high | 97.4 | Very high | 79 Ų | 79 | 106.1 Ų | 106.1 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 174.6 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | A256 E257 E263 Q264 | A256-T260 WeakPolarHBondContact O-CG2 3.35Å; A256-T260 PolarHBondContact O-N 3.46Å; A256-T260 PolarHBondContact O-OG1 3.04Å; E257-T260 PolarHBondContact O-N 3.09Å; E257-T260 VanDerWaalsContact O-N 3.14Å; E257-T260 PolarHBondContact O-OG1 3.48Å; T260-E263 PolarHBondContact O-N 3.37Å; T260-Q264 VanDerWaalsContact O-CG 3.26Å; T260-Q264 WeakPolarHBondContact O-CG 3.42Å; T260-Q264 PolarHBondContact O-N 3.46Å |
| 261 | E | 97 | Very high | 97.3 | Very high | 103 Ų | 103 | 105.3 Ų | 105.3 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 175.2 | -72.3 | -175.5 | 174.2 | 0 | 0 | 111.8 | E257 F258 E263 Q264 L265 | E257-E261 WeakPolarHBondContact O-CG 3.36Å; E257-E261 PolarHBondContact O-N 2.93Å; F258-E261 PolarHBondContact O-N 2.81Å; E261-E263 VanDerWaalsContact C-N 3.34Å; E261-E263 PolarHBondContact O-N 3.29Å; E261-Q264 WeakPolarHBondContact O-CB 3.45Å; E261-Q264 PolarHBondContact O-N 3.5Å; E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 2.84Å |
| 262 | R | 97.4 | Very high | 97.1 | Very high | 120 Ų | 120 | 107 Ų | 107 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 176.5 | -177.4 | 179.1 | 66.5 | 177.7 | -1.1 | 111.3 | F258 D259 L265 R266 | F258-R262 VanDerWaalsContact O-CB 3.23Å; F258-R262 WeakPolarHBondContact O-CB 3.35Å; F258-R262 PolarHBondContact O-N 2.89Å; D259-R262 PolarHBondContact O-N 3.49Å; D259-R262 IonicContact OD1-CZ 3.2Å; D259-R262 IonicContact OD1-NE 2.64Å; D259-R262 IonicContact OD1-NH1 3.28Å; D259-R262 IonicContact OD1-NH2 3.08Å; D259-R262 PolarHBondContact OD1-NH2 2.81Å; R262-L265 PolarHBondContact O-N 3.16Å; R262-R266 WeakPolarHBondContact O-CG 3.26Å; R262-R266 PolarHBondContact O-N 3.29Å |
| 263 | E | 96.9 | Very high | 97 | Very high | 105 Ų | 105 | 106.7 Ų | 106.7 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.3 | -38.2 | 178.4 | -165.3 | 55.5 | -146.1 | 0 | 0 | 111.8 | D259 T260 E261 L265 R266 S267 | D259-E263 WeakPolarHBondContact O-CB 3.32Å; D259-E263 PolarHBondContact O-N 3.25Å; T260-E263 PolarHBondContact O-N 3.37Å; E261-E263 VanDerWaalsContact C-N 3.34Å; E261-E263 PolarHBondContact O-N 3.29Å; E263-L265 PolarHBondContact O-N 3.46Å; E263-R266 PolarHBondContact O-N 2.85Å; E263-R266 IonicContact OE2-NH1 3.74Å; E263-R266 PolarHBondContact OE2-NH1 3.37Å; E263-S267 WeakPolarHBondContact O-CB 3.39Å; E263-S267 PolarHBondContact O-N 3.18Å |
| 264 | Q | 97.4 | Very high | 96.8 | Very high | 102 Ų | 102 | 103.4 Ų | 103.4 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 171.2 | -72.9 | 175.2 | 25.9 | 0 | 0 | 111.5 | T260 E261 S267 R268 | T260-Q264 VanDerWaalsContact O-CG 3.26Å; T260-Q264 WeakPolarHBondContact O-CG 3.42Å; T260-Q264 PolarHBondContact O-N 3.46Å; E261-Q264 WeakPolarHBondContact O-CB 3.45Å; E261-Q264 PolarHBondContact O-N 3.5Å; Q264-S267 PolarHBondContact O-N 3.28Å; Q264-S267 PolarHBondContact O-OG 2.85Å; Q264-R268 WeakPolarHBondContact O-CG 3.36Å; Q264-R268 PolarHBondContact O-N 3.38Å |
| 265 | L | 97.1 | Very high | 96.7 | Very high | 109 Ų | 109 | 103.9 Ų | 103.9 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 177 | -72.5 | 174.9 | 0 | 0 | 0 | 112.2 | E261 R262 E263 S267 R268 L269 | E261-L265 WeakPolarHBondContact O-CG 3.47Å; E261-L265 PolarHBondContact O-N 2.84Å; R262-L265 PolarHBondContact O-N 3.16Å; E263-L265 PolarHBondContact O-N 3.46Å; L265-S267 VanDerWaalsContact C-N 3.32Å; L265-S267 PolarHBondContact O-N 2.88Å; L265-R268 PolarHBondContact O-N 3.46Å; L265-L269 WeakPolarHBondContact O-CB 3.44Å; L265-L269 PolarHBondContact O-N 3.06Å |
| 266 | R | 97.3 | Very high | 96.4 | Very high | 121 Ų | 121 | 101.9 Ų | 101.9 | 46% | 0.457 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 172.6 | -76.7 | 178.8 | -178.5 | 149.2 | -2.2 | 112.1 | R262 E263 R268 L269 K270 | R262-R266 WeakPolarHBondContact O-CG 3.26Å; R262-R266 PolarHBondContact O-N 3.29Å; E263-R266 PolarHBondContact O-N 2.85Å; E263-R266 IonicContact OE2-NH1 3.74Å; E263-R266 PolarHBondContact OE2-NH1 3.37Å; R266-R268 VanDerWaalsContact C-N 3.32Å; R266-R268 PolarHBondContact O-N 2.89Å; R266-L269 PolarHBondContact O-N 2.92Å; R266-K270 WeakPolarHBondContact O-CB 3.32Å; R266-K270 PolarHBondContact O-N 3.19Å |
| 267 | S | 96.7 | Very high | 96.1 | Very high | 51 Ų | 51 | 101.6 Ų | 101.6 | 36% | 0.357 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 177.8 | 82.1 | 0 | 0 | 0 | 0 | 112.3 | E263 Q264 L265 K271 | E263-S267 WeakPolarHBondContact O-CB 3.39Å; E263-S267 PolarHBondContact O-N 3.18Å; Q264-S267 PolarHBondContact O-N 3.28Å; Q264-S267 PolarHBondContact O-OG 2.85Å; L265-S267 VanDerWaalsContact C-N 3.32Å; L265-S267 PolarHBondContact O-N 2.88Å; S267-K271 WeakPolarHBondContact O-CG 3.35Å; S267-K271 PolarHBondContact O-N 2.82Å; S267-K271 VanDerWaalsContact O-N 3.16Å |
| 268 | R | 96.8 | Very high | 95.8 | Very high | 158 Ų | 158 | 100.9 Ų | 100.9 | 60% | 0.596 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.3 | -45.7 | 174.6 | -70.9 | 179.3 | -174.2 | 178.6 | 4.3 | 111.4 | Q264 L265 R266 K270 K271 E272 | Q264-R268 WeakPolarHBondContact O-CG 3.36Å; Q264-R268 PolarHBondContact O-N 3.38Å; L265-R268 PolarHBondContact O-N 3.46Å; R266-R268 VanDerWaalsContact C-N 3.32Å; R266-R268 PolarHBondContact O-N 2.89Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 3.26Å; R268-K271 WeakPolarHBondContact O-CB 3.35Å; R268-K271 PolarHBondContact O-N 2.88Å; R268-K271 VanDerWaalsContact O-N 3.16Å; R268-E272 PolarHBondContact O-N 2.95Å |
| 269 | L | 96.1 | Very high | 95.5 | Very high | 101 Ų | 101 | 98.9 Ų | 98.9 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57 | -47.9 | 175.7 | -179.2 | 64.4 | 0 | 0 | 0 | 110.5 | L265 R266 K271 E272 E273 | L265-L269 WeakPolarHBondContact O-CB 3.44Å; L265-L269 PolarHBondContact O-N 3.06Å; R266-L269 PolarHBondContact O-N 2.92Å; L269-K271 VanDerWaalsContact C-N 3.3Å; L269-K271 PolarHBondContact O-N 3.46Å; L269-E272 CarbonylContact O-C 3.6Å; L269-E272 PolarHBondContact O-N 2.76Å; L269-E272 VanDerWaalsContact O-N 3.1Å; L269-E273 HydrophobicContact CD1-CG 4.21Å; L269-E273 HydrophobicContact CG-CG 4.22Å; L269-E273 WeakPolarHBondContact O-CB 3.37Å; L269-E273 WeakPolarHBondContact O-CG 3.32Å; L269-E273 PolarHBondContact O-N 2.91Å |
| 270 | K | 96.6 | Very high | 95 | Very high | 155 Ų | 155 | 101.2 Ų | 101.2 | 67% | 0.674 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.5 | -37.5 | 177.3 | -172.5 | 175.9 | -177.8 | 176.9 | 0 | 113 | R266 R268 A274 | R266-K270 WeakPolarHBondContact O-CB 3.32Å; R266-K270 PolarHBondContact O-N 3.19Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 3.26Å; K270-A274 VanDerWaalsContact O-CB 3.31Å; K270-A274 WeakPolarHBondContact O-CB 3.42Å; K270-A274 PolarHBondContact O-N 3.21Å |
| 271 | K | 96.2 | Very high | 94.7 | Very high | 151 Ų | 151 | 102.9 Ų | 102.9 | 66% | 0.657 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 174.1 | -73.3 | 171 | -177.3 | 178.4 | 0 | 111.6 | S267 R268 L269 A274 H275 | S267-K271 WeakPolarHBondContact O-CG 3.35Å; S267-K271 PolarHBondContact O-N 2.82Å; S267-K271 VanDerWaalsContact O-N 3.16Å; R268-K271 WeakPolarHBondContact O-CB 3.35Å; R268-K271 PolarHBondContact O-N 2.88Å; R268-K271 VanDerWaalsContact O-N 3.16Å; L269-K271 VanDerWaalsContact C-N 3.3Å; L269-K271 PolarHBondContact O-N 3.46Å; K271-A274 PolarHBondContact O-N 2.87Å; K271-H275 WeakPolarHBondContact O-CB 3Å; K271-H275 PolarHBondContact O-N 2.86Å |
| 272 | E | 94.1 | Very high | 94.3 | Very high | 107 Ų | 107 | 103 Ų | 103 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.2 | -37.6 | 178.6 | -164.1 | 60.9 | -135.9 | 0 | 0 | 112.1 | R268 L269 H275 C276 | R268-E272 PolarHBondContact O-N 2.95Å; L269-E272 CarbonylContact O-C 3.6Å; L269-E272 PolarHBondContact O-N 2.76Å; L269-E272 VanDerWaalsContact O-N 3.1Å; E272-H275 PolarHBondContact O-N 3.37Å; E272-H275 IonicContact OE1-ND1 2.68Å; E272-H275 PolarHBondContact OE1-ND1 3.39Å; E272-C276 WeakPolarHBondContact O-CB 3.31Å; E272-C276 PolarHBondContact O-N 2.92Å; E272-C276 PolarHBondContact O-SG 3.47Å |
| 273 | E | 95.1 | Very high | 93.8 | Very high | 112 Ų | 112 | 100.7 Ų | 100.7 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 172.3 | -75.6 | 175.7 | 165.8 | 0 | 0 | 111.2 | L269 C276 S277 | L269-E273 HydrophobicContact CD1-CG 4.21Å; L269-E273 HydrophobicContact CG-CG 4.22Å; L269-E273 WeakPolarHBondContact O-CB 3.37Å; L269-E273 WeakPolarHBondContact O-CG 3.32Å; L269-E273 PolarHBondContact O-N 2.91Å; E273-C276 PolarHBondContact O-N 2.9Å; E273-S277 VanDerWaalsContact O-CB 3.31Å; E273-S277 WeakPolarHBondContact O-CB 3.41Å; E273-S277 PolarHBondContact O-N 3.36Å |
| 274 | A | 94.2 | Very high | 93.4 | Very high | 49 Ų | 49 | 101 Ų | 101 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K270 K271 C276 S277 D278 | K270-A274 VanDerWaalsContact O-CB 3.31Å; K270-A274 WeakPolarHBondContact O-CB 3.42Å; K270-A274 PolarHBondContact O-N 3.21Å; K271-A274 PolarHBondContact O-N 2.87Å; A274-C276 PolarHBondContact O-N 2.89Å; A274-S277 WeakPolarHBondContact O-CB 3.4Å; A274-S277 PolarHBondContact O-N 2.94Å; A274-D278 VanDerWaalsContact O-CG 3.27Å; A274-D278 PolarHBondContact O-N 3.34Å |
| 275 | H | 94.9 | Very high | 92.9 | Very high | 99 Ų | 99 | 100.6 Ų | 100.6 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 175.1 | 177.4 | -107.3 | 0 | 0 | 0 | 112.5 | K271 E272 D278 L279 | K271-H275 WeakPolarHBondContact O-CB 3Å; K271-H275 PolarHBondContact O-N 2.86Å; E272-H275 PolarHBondContact O-N 3.37Å; E272-H275 IonicContact OE1-ND1 2.68Å; E272-H275 PolarHBondContact OE1-ND1 3.39Å; H275-D278 PolarHBondContact O-N 3.31Å; H275-L279 WeakPolarHBondContact O-CB 3.38Å; H275-L279 PolarHBondContact O-N 3.29Å |
| 276 | C | 91.7 | Very high | 92.2 | Very high | 58 Ų | 58 | 100.8 Ų | 100.8 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 174.7 | -73.9 | 0 | 0 | 0 | 0 | 112 | E272 E273 A274 L279 Q280 | E272-C276 WeakPolarHBondContact O-CB 3.31Å; E272-C276 PolarHBondContact O-N 2.92Å; E272-C276 PolarHBondContact O-SG 3.47Å; E273-C276 PolarHBondContact O-N 2.9Å; A274-C276 PolarHBondContact O-N 2.89Å; C276-L279 PolarHBondContact O-N 3.06Å; C276-Q280 WeakPolarHBondContact O-CB 3.32Å; C276-Q280 VanDerWaalsContact O-CG 3.3Å; C276-Q280 WeakPolarHBondContact O-CG 3.48Å; C276-Q280 PolarHBondContact O-N 3.48Å |
| 277 | S | 91.8 | Very high | 91.5 | Very high | 49 Ų | 49 | 101 Ų | 101 | 34% | 0.343 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 174.3 | 170 | 0 | 0 | 0 | 0 | 111.1 | E273 A274 L279 Q280 Q281 | E273-S277 VanDerWaalsContact O-CB 3.31Å; E273-S277 WeakPolarHBondContact O-CB 3.41Å; E273-S277 PolarHBondContact O-N 3.36Å; A274-S277 WeakPolarHBondContact O-CB 3.4Å; A274-S277 PolarHBondContact O-N 2.94Å; S277-L279 VanDerWaalsContact C-N 3.33Å; S277-L279 PolarHBondContact O-N 3.33Å; S277-Q280 WeakPolarHBondContact O-CB 3.49Å; S277-Q280 PolarHBondContact O-N 3.41Å; S277-Q281 WeakPolarHBondContact O-CG 3.45Å; S277-Q281 PolarHBondContact O-N 3.48Å |
| 278 | D | 92.3 | Very high | 90.8 | Very high | 84 Ų | 84 | 106 Ų | 106 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.4 | -69.3 | -15.3 | 0 | 0 | 0 | 111.2 | A274 H275 Q281 Q282 | A274-D278 VanDerWaalsContact O-CG 3.27Å; A274-D278 PolarHBondContact O-N 3.34Å; H275-D278 PolarHBondContact O-N 3.31Å; D278-Q281 WeakPolarHBondContact O-CB 3.5Å; D278-Q281 PolarHBondContact O-N 3.43Å; D278-Q282 WeakPolarHBondContact O-CG 3.38Å; D278-Q282 PolarHBondContact O-N 3.49Å |
| 279 | L | 90.1 | Very high | 90 | Very high | 85 Ų | 85 | 103.2 Ų | 103.2 | 45% | 0.445 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 177.1 | -149.5 | 75 | 0 | 0 | 0 | 111.7 | H275 C276 S277 Q282 V283 | H275-L279 WeakPolarHBondContact O-CB 3.38Å; H275-L279 PolarHBondContact O-N 3.29Å; C276-L279 PolarHBondContact O-N 3.06Å; S277-L279 VanDerWaalsContact C-N 3.33Å; S277-L279 PolarHBondContact O-N 3.33Å; L279-Q282 WeakPolarHBondContact O-CB 3.38Å; L279-Q282 PolarHBondContact O-N 3Å; L279-V283 WeakPolarHBondContact O-CG2 3.32Å; L279-V283 PolarHBondContact O-N 3.33Å |
| 280 | Q | 89 | Confident | 88.8 | Confident | 127 Ų | 127 | 103.4 Ų | 103.4 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.3 | -44.6 | 172.2 | -80.1 | 176.2 | -7.9 | 0 | 0 | 111.4 | C276 S277 Q282 V283 E284 | C276-Q280 WeakPolarHBondContact O-CB 3.32Å; C276-Q280 VanDerWaalsContact O-CG 3.3Å; C276-Q280 WeakPolarHBondContact O-CG 3.48Å; C276-Q280 PolarHBondContact O-N 3.48Å; S277-Q280 WeakPolarHBondContact O-CB 3.49Å; S277-Q280 PolarHBondContact O-N 3.41Å; Q280-Q282 VanDerWaalsContact C-N 3.31Å; Q280-Q282 PolarHBondContact O-N 3.01Å; Q280-V283 PolarHBondContact O-N 2.96Å; Q280-E284 WeakPolarHBondContact O-CB 3.48Å; Q280-E284 WeakPolarHBondContact O-CG 3.46Å; Q280-E284 PolarHBondContact O-N 3.38Å |
| 281 | Q | 89.6 | Confident | 87.6 | Confident | 114 Ų | 114 | 102.3 Ų | 102.3 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 174 | -72.6 | 177 | 23.6 | 0 | 0 | 111.4 | S277 D278 E284 E285 | S277-Q281 WeakPolarHBondContact O-CG 3.45Å; S277-Q281 PolarHBondContact O-N 3.48Å; D278-Q281 WeakPolarHBondContact O-CB 3.5Å; D278-Q281 PolarHBondContact O-N 3.43Å; Q281-E284 PolarHBondContact O-N 3.29Å; Q281-E285 VanDerWaalsContact O-CB 3.31Å; Q281-E285 WeakPolarHBondContact O-CB 3.39Å; Q281-E285 PolarHBondContact O-N 2.8Å |
| 282 | Q | 89.3 | Confident | 86 | Confident | 106 Ų | 106 | 102.1 Ų | 102.1 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 174.4 | -71 | 172.5 | 38.7 | 0 | 0 | 111.9 | D278 L279 Q280 E285 L286 | D278-Q282 WeakPolarHBondContact O-CG 3.38Å; D278-Q282 PolarHBondContact O-N 3.49Å; L279-Q282 WeakPolarHBondContact O-CB 3.38Å; L279-Q282 PolarHBondContact O-N 3Å; Q280-Q282 VanDerWaalsContact C-N 3.31Å; Q280-Q282 PolarHBondContact O-N 3.01Å; Q282-E285 PolarHBondContact O-N 3.14Å; Q282-L286 WeakPolarHBondContact O-CB 3.41Å; Q282-L286 VanDerWaalsContact O-CG 3.22Å; Q282-L286 WeakPolarHBondContact O-CG 3.29Å; Q282-L286 PolarHBondContact O-N 3.34Å |
| 283 | V | 87.8 | Confident | 84.3 | Confident | 71 Ų | 71 | 102.3 Ų | 102.3 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 175.7 | 169 | 0 | 0 | 0 | 0 | 111.2 | L279 Q280 L286 K287 | L279-V283 WeakPolarHBondContact O-CG2 3.32Å; L279-V283 PolarHBondContact O-N 3.33Å; Q280-V283 PolarHBondContact O-N 2.96Å; V283-L286 PolarHBondContact O-N 2.87Å; V283-K287 HydrophobicContact CG1-CD 4.28Å; V283-K287 HydrophobicContact CG1-CG 4.46Å; V283-K287 WeakPolarHBondContact O-CB 3.37Å; V283-K287 VanDerWaalsContact O-CG 3.3Å; V283-K287 WeakPolarHBondContact O-CG 3.3Å; V283-K287 PolarHBondContact O-N 3.35Å |
| 284 | E | 87.1 | Confident | 82.2 | Confident | 112 Ų | 112 | 103.3 Ų | 103.3 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 175.5 | -76.6 | -175.7 | -178.9 | 0 | 0 | 112.2 | Q280 Q281 K287 R288 | Q280-E284 WeakPolarHBondContact O-CB 3.48Å; Q280-E284 WeakPolarHBondContact O-CG 3.46Å; Q280-E284 PolarHBondContact O-N 3.38Å; Q281-E284 PolarHBondContact O-N 3.29Å; E284-K287 PolarHBondContact O-N 3.45Å; E284-R288 VanDerWaalsContact O-CB 3.3Å; E284-R288 WeakPolarHBondContact O-CB 3.37Å; E284-R288 PolarHBondContact O-N 3.49Å |
| 285 | E | 86.9 | Confident | 79.8 | Confident | 93 Ų | 93 | 104 Ų | 104 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 173.3 | -171.4 | -177.3 | 172.4 | 0 | 0 | 111 | Q281 Q282 R288 K289 | Q281-E285 VanDerWaalsContact O-CB 3.31Å; Q281-E285 WeakPolarHBondContact O-CB 3.39Å; Q281-E285 PolarHBondContact O-N 2.8Å; Q282-E285 PolarHBondContact O-N 3.14Å; E285-R288 PolarHBondContact O-N 3.13Å; E285-K289 HydrophobicContact CG-CD 4.34Å; E285-K289 WeakPolarHBondContact O-CB 3.46Å; E285-K289 VanDerWaalsContact O-CG 3.29Å; E285-K289 WeakPolarHBondContact O-CG 3.43Å; E285-K289 PolarHBondContact O-N 2.75Å; E285-K289 VanDerWaalsContact OE1-CE 3.23Å; E285-K289 WeakPolarHBondContact OE1-CE 3.25Å; E285-K289 IonicContact OE1-NZ 3.63Å; E285-K289 PolarHBondContact OE1-NZ 3.41Å |
| 286 | L | 83.8 | Confident | 77.2 | Confident | 113 Ų | 113 | 104.7 Ų | 104.7 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 173.9 | -73.4 | 171 | 0 | 0 | 0 | 111.9 | Q282 V283 K289 L290 | Q282-L286 WeakPolarHBondContact O-CB 3.41Å; Q282-L286 VanDerWaalsContact O-CG 3.22Å; Q282-L286 WeakPolarHBondContact O-CG 3.29Å; Q282-L286 PolarHBondContact O-N 3.34Å; V283-L286 PolarHBondContact O-N 2.87Å; L286-K289 PolarHBondContact O-N 2.94Å; L286-L290 VanDerWaalsContact O-CB 3.28Å; L286-L290 WeakPolarHBondContact O-CB 3.32Å; L286-L290 PolarHBondContact O-N 3.27Å |
| 287 | K | 82.6 | Confident | 74.4 | Confident | 127 Ų | 127 | 110.4 Ų | 110.4 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.8 | -42.6 | 172.6 | -79.3 | 178.1 | 178.7 | -179.4 | 0 | 111.7 | V283 E284 L290 E291 | V283-K287 HydrophobicContact CG1-CD 4.28Å; V283-K287 HydrophobicContact CG1-CG 4.46Å; V283-K287 WeakPolarHBondContact O-CB 3.37Å; V283-K287 VanDerWaalsContact O-CG 3.3Å; V283-K287 WeakPolarHBondContact O-CG 3.3Å; V283-K287 PolarHBondContact O-N 3.35Å; E284-K287 PolarHBondContact O-N 3.45Å; K287-L290 CarbonylContact O-C 3.59Å; K287-L290 WeakPolarHBondContact O-CB 3.49Å; K287-L290 PolarHBondContact O-N 3.39Å; K287-L290 VanDerWaalsContact O-N 3.15Å; K287-E291 WeakPolarHBondContact O-CB 3.34Å; K287-E291 WeakPolarHBondContact O-CG 3.49Å; K287-E291 PolarHBondContact O-N 3.32Å |
| 288 | R | 80.6 | Confident | 71.4 | Confident | 156 Ų | 156 | 113 Ų | 113 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.7 | -41.7 | 176.1 | -158.5 | -167.4 | -41.2 | -106.1 | -3.9 | 111.2 | E284 E285 L290 E291 E292 | E284-R288 VanDerWaalsContact O-CB 3.3Å; E284-R288 WeakPolarHBondContact O-CB 3.37Å; E284-R288 PolarHBondContact O-N 3.49Å; E285-R288 PolarHBondContact O-N 3.13Å; R288-L290 VanDerWaalsContact C-N 3.34Å; R288-E291 CarbonylContact O-C 3.56Å; R288-E291 PolarHBondContact O-N 3.36Å; R288-E292 VanDerWaalsContact O-CB 3.27Å; R288-E292 WeakPolarHBondContact O-CB 3.3Å; R288-E292 PolarHBondContact O-N 2.96Å |
| 289 | K | 80 | Confident | 68.1 | Low | 99 Ų | 99 | 114.4 Ų | 114.4 | 43% | 0.43 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.4 | -37.2 | 171.6 | -72.8 | 171.3 | -176.7 | 166.4 | 0 | 111.7 | E285 L286 E292 V293 | E285-K289 HydrophobicContact CG-CD 4.34Å; E285-K289 WeakPolarHBondContact O-CB 3.46Å; E285-K289 VanDerWaalsContact O-CG 3.29Å; E285-K289 WeakPolarHBondContact O-CG 3.43Å; E285-K289 PolarHBondContact O-N 2.75Å; E285-K289 VanDerWaalsContact OE1-CE 3.23Å; E285-K289 WeakPolarHBondContact OE1-CE 3.25Å; E285-K289 IonicContact OE1-NZ 3.63Å; E285-K289 PolarHBondContact OE1-NZ 3.41Å; L286-K289 PolarHBondContact O-N 2.94Å; K289-E292 PolarHBondContact O-N 3.47Å; K289-V293 VanDerWaalsContact O-CG2 3.26Å; K289-V293 WeakPolarHBondContact O-CG2 3.5Å; K289-V293 PolarHBondContact O-N 2.87Å |
| 290 | L | 72.1 | Confident | 65.2 | Low | 105 Ų | 105 | 115 Ų | 115 | 55% | 0.55 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.7 | -39.9 | 175.3 | -166.1 | 74.2 | 0 | 0 | 0 | 111.7 | L286 K287 R288 V293 Q294 | L286-L290 VanDerWaalsContact O-CB 3.28Å; L286-L290 WeakPolarHBondContact O-CB 3.32Å; L286-L290 PolarHBondContact O-N 3.27Å; K287-L290 CarbonylContact O-C 3.59Å; K287-L290 WeakPolarHBondContact O-CB 3.49Å; K287-L290 PolarHBondContact O-N 3.39Å; K287-L290 VanDerWaalsContact O-N 3.15Å; R288-L290 VanDerWaalsContact C-N 3.34Å; L290-V293 CarbonylContact O-C 3.52Å; L290-V293 PolarHBondContact O-N 3.29Å; L290-Q294 WeakPolarHBondContact O-CB 3.37Å; L290-Q294 PolarHBondContact O-N 3.42Å |
| 291 | E | 69.9 | Low | 62.4 | Low | 131 Ų | 131 | 115.7 Ų | 115.7 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.7 | -32.8 | 172.1 | -78.9 | 177 | -179.1 | 0 | 0 | 111.8 | K287 R288 Q294 G295 | K287-E291 WeakPolarHBondContact O-CB 3.34Å; K287-E291 WeakPolarHBondContact O-CG 3.49Å; K287-E291 PolarHBondContact O-N 3.32Å; R288-E291 CarbonylContact O-C 3.56Å; R288-E291 PolarHBondContact O-N 3.36Å; E291-Q294 CarbonylContact O-C 3.51Å; E291-Q294 PolarHBondContact O-N 3.3Å; E291-G295 VanDerWaalsContact O-CA 3.32Å; E291-G295 WeakPolarHBondContact O-CA 3.42Å; E291-G295 PolarHBondContact O-N 3.41Å |
| 292 | E | 64.1 | Low | 59.4 | Low | 147 Ų | 147 | 119 Ų | 119 | 69% | 0.687 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.5 | -34.5 | 172.4 | -169.5 | 173.4 | -162.9 | 0 | 0 | 111.4 | R288 K289 | R288-E292 VanDerWaalsContact O-CB 3.27Å; R288-E292 WeakPolarHBondContact O-CB 3.3Å; R288-E292 PolarHBondContact O-N 2.96Å; K289-E292 PolarHBondContact O-N 3.47Å |
| 293 | V | 58.6 | Low | 56.6 | Low | 112 Ų | 112 | 117.9 Ų | 117.9 | 68% | 0.679 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.9 | -32.6 | 171.5 | 173.1 | 0 | 0 | 0 | 0 | 112.2 | K289 L290 | K289-V293 VanDerWaalsContact O-CG2 3.26Å; K289-V293 WeakPolarHBondContact O-CG2 3.5Å; K289-V293 PolarHBondContact O-N 2.87Å; L290-V293 CarbonylContact O-C 3.52Å; L290-V293 PolarHBondContact O-N 3.29Å |
| 294 | Q | 50 | Low | 53.8 | Low | 133 Ų | 133 | 121.5 Ų | 121.5 | 62% | 0.621 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -79.5 | -20.7 | 171.7 | -87.4 | 179.7 | -32.9 | 0 | 0 | 113.1 | L290 E291 V296 F297 | L290-Q294 WeakPolarHBondContact O-CB 3.37Å; L290-Q294 PolarHBondContact O-N 3.42Å; E291-Q294 CarbonylContact O-C 3.51Å; E291-Q294 PolarHBondContact O-N 3.3Å; Q294-V296 PolarHBondContact O-N 2.82Å; Q294-V296 VanDerWaalsContact O-N 3.12Å; Q294-F297 PolarHBondContact O-N 3.37Å |
| 295 | G | 43.7 | Very low | 51.1 | Low | 62 Ų | 62 | 119.6 Ų | 119.6 | 64% | 0.639 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -0.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | E291 | E291-G295 VanDerWaalsContact O-CA 3.32Å; E291-G295 WeakPolarHBondContact O-CA 3.42Å; E291-G295 PolarHBondContact O-N 3.41Å |
| 296 | V | 40.8 | Very low | 48.6 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -3 | 168.5 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | Q294 | Q294-V296 PolarHBondContact O-N 2.82Å; Q294-V296 VanDerWaalsContact O-N 3.12Å |
| 297 | F | 32.5 | Very low | 46.1 | Very low | 179 Ų | 179 | 126.8 Ų | 126.8 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -125 | 88.7 | 173.5 | -74.5 | -81.5 | 0 | 0 | 0 | 113.2 | Q294 | Q294-F297 PolarHBondContact O-N 3.37Š|
| 298 | A | 28.8 | Very low | 44.1 | Very low | 103 Ų | 103 | 131 Ų | 131 | 85% | 0.851 | 71% | 0.71 | S | S | * | * | trans | 75.4 | 133.9 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 299 | S | 23.6 | Very low | 42 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -91.7 | 158.2 | 171.7 | 53.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 300 | S | 29 | Very low | 39.8 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | 116.3 | 129.6 | 137.6 | -131.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 301 | N | 28.8 | Very low | 38 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 79.3 | 117.6 | 149.2 | -59.9 | -4.2 | 0 | 0 | 0 | 119.8 | ||||
| 302 | E | 26.6 | Very low | 36.4 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | 90.6 | 116.1 | 54.3 | -85.7 | -94.6 | 148.2 | 0 | 0 | 114.4 | |||||
| 303 | A | 30.5 | Very low | 35.7 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | trans | 141.2 | 102.7 | 135 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 304 | T | 30.2 | Very low | 34.4 | Very low | 148 Ų | 148 | 138 Ų | 138 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | 46.7 | 136.1 | 125.2 | -13 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 305 | G | 30.6 | Very low | 33.4 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | cis | 175.2 | 160.9 | 7.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 306 | R | 33 | Very low | 33.3 | Very low | 233 Ų | 233 | 137.7 Ų | 137.7 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | 178.1 | 147.3 | 53.8 | -153.5 | -174.7 | -79 | -133.9 | 1.3 | 108.8 | |||||
| 307 | D | 32.8 | Very low | 32.9 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | 69.3 | 131.1 | 147.7 | -98.6 | 13.5 | 0 | 0 | 0 | 120.8 | ||||
| 308 | R | 40.2 | Very low | 33.2 | Very low | 215 Ų | 215 | 137.1 Ų | 137.1 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | cis | -154.2 | 137.7 | 20 | -68.9 | -175.2 | 168.4 | 176.4 | -4.9 | 113.8 | ||||
| 309 | V | 35.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | 41.1 | 122.6 | 124.8 | -170.4 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 310 | R | 34.4 | Very low | 33.7 | Very low | 231 Ų | 231 | 139.8 Ų | 139.8 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | -163.9 | 115.7 | 82.3 | -167.2 | 170.4 | -169.6 | 162 | 2.1 | 115 | |||||
| 311 | K | 35.1 | Very low | 33.9 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | 49.7 | 112.7 | 144.3 | -90.1 | -176.8 | 168.8 | -177 | 0 | 122.4 | ||||
| 312 | V | 35.3 | Very low | 34.2 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -79.5 | 180 | 136.8 | -150.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 313 | P | 49.4 | Very low | 34.5 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | cis | -151.3 | 171.1 | 14.6 | 45.2 | -23.2 | 0 | 0 | 0 | 120.6 | ||||
| 314 | A | 30.8 | Very low | 34.5 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | 47.3 | 145.8 | 129 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 315 | G | 29.1 | Very low | 34.9 | Very low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 145.3 | 86.1 | 139.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 316 | S | 42.1 | Very low | 34.9 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -59 | 135.5 | 153.5 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 317 | L | 32.3 | Very low | 35.2 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -142.7 | 114.6 | 145.3 | -79.7 | 178.4 | 0 | 0 | 0 | 108.2 | ||||
| 318 | S | 39.7 | Very low | 35.3 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -72 | 162.6 | 154.3 | 52.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 319 | V | 31.8 | Very low | 35 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | 151.7 | 96.1 | 140 | 167.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 320 | D | 30.9 | Very low | 34.9 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | 46 | 147.6 | 119 | -77.7 | -21.1 | 0 | 0 | 0 | 124.8 | |||||
| 321 | S | 32.6 | Very low | 35.2 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 87.4 | 126.2 | 155.9 | -55.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 322 | I | 36.4 | Very low | 35.1 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | -157.8 | 114.9 | 55.6 | -75 | 161 | 0 | 0 | 0 | 109.8 | |||||
| 323 | K | 32 | Very low | 35.4 | Very low | 188 Ų | 188 | 132.4 Ų | 132.4 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | 12.8 | 123.4 | 120.9 | -68.4 | -173.6 | 173.3 | -171.1 | 0 | 119.1 | |||||
| 324 | V | 31.4 | Very low | 34.8 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | 60.6 | 139.8 | 88.8 | -151 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 325 | E | 37.3 | Very low | 35.2 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | 94.5 | 145.5 | 155.2 | -59.3 | -168.9 | -174.9 | 0 | 0 | 115.4 | ||||
| 326 | D | 31.4 | Very low | 36 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 68% | 0.679 | 80% | 0.798 | S | S | * | * | cis | -172.8 | 168.9 | -11 | -104.6 | -20.3 | 0 | 0 | 0 | 105 | ||||
| 327 | I | 39.4 | Very low | 35.9 | Very low | 160 Ų | 160 | 146 Ų | 146 | 82% | 0.821 | 80% | 0.801 | S | S | * | * | 157.8 | 109.9 | 124.8 | -76.5 | 164.7 | 0 | 0 | 0 | 110.6 | |||||
| 328 | E | 34.4 | Very low | 36.6 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | -74.2 | 158.5 | 152.6 | -76.2 | 178.2 | 124.4 | 0 | 0 | 112.5 | ||||
| 329 | G | 34.1 | Very low | 36.2 | Very low | 72 Ų | 72 | 146.9 Ų | 146.9 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | 87.6 | 138.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 330 | D | 32.8 | Very low | 36.2 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | cis | -164.2 | 165.7 | 17.9 | -155.2 | 21.4 | 0 | 0 | 0 | 112.8 | ||||
| 331 | H | 40.8 | Very low | 36.3 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -32.7 | 144.2 | -172.4 | -68.4 | -73.3 | 0 | 0 | 0 | 124 | ||||
| 332 | A | 32.9 | Very low | 36.2 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | -165.3 | 150.4 | 113.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 333 | S | 41.8 | Very low | 37 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -78.6 | 144.2 | -163.4 | -174.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 334 | E | 36.1 | Very low | 36.9 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | 174 | 139.7 | 106.2 | -90.7 | -167 | 155.5 | 0 | 0 | 113.4 | |||||
| 335 | Q | 40.9 | Very low | 37.1 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -85.9 | 179.5 | 178 | -109.1 | -172 | -17.7 | 0 | 0 | 112.2 | ||||
| 336 | P | 46.1 | Very low | 37.2 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -135.7 | 171.8 | -5.9 | 24.6 | 1 | 0 | 0 | 0 | 117.7 | ||||
| 337 | K | 38.4 | Very low | 37.3 | Very low | 197 Ų | 197 | 143 Ų | 143 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -52.5 | -176.6 | 173.7 | -97.1 | 174.2 | -178.2 | 172.3 | 0 | 119 | ||||
| 338 | P | 47.9 | Very low | 37 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | -141.1 | 167.7 | -17.3 | 30.4 | -9.3 | 0 | 0 | 0 | 116.2 | ||||
| 339 | Q | 30.2 | Very low | 37 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -152.3 | 141.9 | 149.4 | -153.4 | 165.5 | -10.7 | 0 | 0 | 114.7 | ||||
| 340 | S | 33 | Very low | 37 | Very low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -64.5 | 154.7 | 175.1 | 162 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 341 | Y | 31.8 | Very low | 37 | Very low | 200 Ų | 200 | 142 Ų | 142 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | 169.4 | 145.1 | 123.8 | -94.2 | -72 | 0 | 0 | 0 | 112.2 | |||||
| 342 | C | 30.7 | Very low | 36.5 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -132.6 | 157.8 | 155.9 | -85.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 343 | P | 53 | Low | 36.3 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -117.6 | 179.8 | -159.5 | 32.2 | -11.9 | 0 | 0 | 0 | 115.8 | ||||
| 344 | G | 31.5 | Very low | 35.9 | Very low | 69 Ų | 69 | 138.9 Ų | 138.9 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 179.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 345 | E | 35.4 | Very low | 35.6 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | -161.4 | 168.3 | 51 | -66 | -179 | 127.1 | 0 | 0 | 115.1 | |||||
| 346 | A | 38.1 | Very low | 35.1 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | 78.7 | 121.8 | 140.6 | 0 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 347 | N | 33.6 | Very low | 34.4 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | 173.7 | 146.9 | 113.7 | -90.4 | -22.3 | 0 | 0 | 0 | 114.8 | |||||
| 348 | G | 32.7 | Very low | 34.2 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -97.4 | 171.1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 349 | L | 35.2 | Very low | 33.2 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | 171.4 | 145.5 | 94.1 | -89 | 169.5 | 0 | 0 | 0 | 113.7 | |||||
| 350 | H | 34.8 | Very low | 33.1 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | 74.9 | 124.2 | 131.5 | -146.3 | -108.3 | 0 | 0 | 0 | 127.5 | ||||
| 351 | M | 31.7 | Very low | 32.9 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | trans | 63.9 | 118.9 | 142.4 | -69.1 | -63.8 | 158.1 | 0 | 0 | 129.5 | ||||
| 352 | S | 30.5 | Very low | 32.9 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | 55.5 | 140 | 121 | -151.1 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 353 | S | 29.2 | Very low | 32.9 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 92.4 | 135.9 | 147.6 | -153.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 354 | V | 33.2 | Very low | 31.8 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | cis | -172.7 | 156.8 | -1.2 | 134.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 355 | H | 29.4 | Very low | 31.8 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 82% | 0.819 | 74% | 0.74 | S | S | * | * | trans | 75.8 | 111.1 | 157.3 | -75.4 | -38.8 | 0 | 0 | 0 | 124 | ||||
| 356 | S | 30.2 | Very low | 31.8 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | 120.8 | 135.1 | 112.3 | -142.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 357 | E | 32 | Very low | 31.5 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 79.2 | 104.6 | 164.3 | -69.4 | -160.9 | 115.6 | 0 | 0 | 121 | ||||
| 358 | K | 33.6 | Very low | 31.5 | Very low | 166 Ų | 166 | 128 Ų | 128 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | 80.2 | 123.7 | 120 | -139.4 | 167.2 | -173.5 | 178.1 | 0 | 115.8 | |||||
| 359 | M | 27.8 | Very low | 31.5 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | cis | -159.7 | 137.4 | 7.7 | -145.7 | 131 | 73.3 | 0 | 0 | 108 | ||||
| 360 | S | 27.3 | Very low | 31.3 | Very low | 81 Ų | 81 | 127 Ų | 127 | 57% | 0.566 | 72% | 0.716 | S | S | * | * | trans | 35.6 | 118.7 | 134.6 | -146.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 361 | C | 30.1 | Very low | 31.2 | Very low | 110 Ų | 110 | 127 Ų | 127 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | 46 | 136.5 | 67 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 362 | Q | 31.8 | Very low | 31.3 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | 163 | 157.6 | 87.4 | -87 | -165.9 | -1.4 | 0 | 0 | 105.2 | |||||
| 363 | N | 30.6 | Very low | 31.4 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | cis | -168.5 | 146.2 | -7.9 | -105.7 | -13.4 | 0 | 0 | 0 | 101.4 | ||||
| 364 | G | 29.8 | Very low | 31.7 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 71% | 0.714 | S | S | * | * | 86.2 | 156.6 | 69.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 365 | N | 31.6 | Very low | 31.6 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | cis | -160.6 | 136.6 | 0.2 | -101.7 | 0.8 | 0 | 0 | 0 | 102.9 | ||||
| 366 | E | 33.9 | Very low | 31.8 | Very low | 157 Ų | 157 | 121.5 Ų | 121.5 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | 57.7 | 128.4 | 100.8 | -55 | -153.1 | 144.6 | 0 | 0 | 116.2 | |||||
| 367 | A | 32.9 | Very low | 31.9 | Very low | 88 Ų | 88 | 120.7 Ų | 120.7 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | 159.5 | 112.9 | 115.2 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 368 | Q | 34.1 | Very low | 32.3 | Very low | 159 Ų | 159 | 122.5 Ų | 122.5 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | 107.2 | 151.9 | 61 | -95.1 | -167.4 | 26.7 | 0 | 0 | 110.6 | |||||
| 369 | T | 31 | Very low | 33 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | 84.7 | 134.9 | 167 | 71.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 370 | S | 31.4 | Very low | 33.2 | Very low | 90 Ų | 90 | 117.2 Ų | 117.2 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | cis | 179.4 | 145 | -11.9 | 47.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 371 | L | 33.3 | Very low | 33.7 | Very low | 160 Ų | 160 | 122.3 Ų | 122.3 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | trans | 65.3 | 138.9 | 151.5 | -60.3 | 153.4 | 0 | 0 | 0 | 117.3 | ||||
| 372 | S | 33.2 | Very low | 33.7 | Very low | 74 Ų | 74 | 122.8 Ų | 122.8 | 52% | 0.517 | 74% | 0.741 | S | S | . | * | cis | -176.1 | 147.7 | 11.3 | -111 | 0 | 0 | 0 | 0 | 110 | ||||
| 373 | H | 33.2 | Very low | 33.9 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | trans | 62.6 | 142.8 | 148.2 | -59.7 | -47.6 | 0 | 0 | 0 | 119.6 | ||||
| 374 | S | 34.7 | Very low | 34 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | cis | -175.6 | 152 | -3.5 | -76.8 | 0 | 0 | 0 | 0 | 102.8 | ||||
| 375 | G | 30.8 | Very low | 34.2 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | cis | -178.9 | 155.8 | 2.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 376 | A | 35.3 | Very low | 35.2 | Very low | 107 Ų | 107 | 130 Ų | 130 | 88% | 0.884 | 78% | 0.776 | S | S | * | * | trans | 57.5 | 141.5 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 377 | A | 31.6 | Very low | 35.1 | Very low | 93 Ų | 93 | 127.9 Ų | 127.9 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | cis | -166.9 | 146.3 | -9.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 378 | F | 40.1 | Very low | 35.1 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -69.3 | 164.4 | 156.9 | -64.1 | -86.8 | 0 | 0 | 0 | 109.5 | ||||
| 379 | P | 48.3 | Very low | 34.9 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | -138.5 | 148.7 | 83.5 | 10.9 | 14.2 | 0 | 0 | 0 | 111.9 | |||||
| 380 | S | 33.2 | Very low | 35.9 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | cis | 101.4 | 121.5 | 48.3 | 78.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 381 | Q | 37.2 | Very low | 35.8 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 66.5 | 146.6 | 150.5 | -63.6 | 178.3 | 0.7 | 0 | 0 | 117.1 | ||||
| 382 | S | 30.7 | Very low | 35.8 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | cis | -166.6 | 165.5 | 31.7 | 38.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 383 | R | 34.3 | Very low | 35.9 | Very low | 246 Ų | 246 | 131.4 Ų | 131.4 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | trans | -78.3 | 152 | 176.9 | -67.6 | 172.4 | 164.5 | 178.2 | -5 | 112.7 | ||||
| 384 | S | 33.6 | Very low | 35.9 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -166.6 | 130.8 | 139 | 56 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 385 | S | 34 | Very low | 35.7 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -85.6 | 166.3 | 156.9 | -47.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 386 | P | 52.3 | Low | 35.6 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | -149 | 173.1 | 73.5 | 34.4 | -11.6 | 0 | 0 | 0 | 116.8 | |||||
| 387 | C | 32.2 | Very low | 35.3 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -58.1 | 146.4 | 179.1 | -50.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 388 | T | 32.1 | Very low | 35.3 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | 173.1 | 134.2 | 121.1 | 24.7 | 0 | 0 | 0 | 0 | 112 | |||||
| 389 | S | 31.3 | Very low | 34.9 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -99.5 | 166.8 | 156.7 | -70.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 390 | P | 51.6 | Low | 34.3 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | cis | -151.6 | -173.4 | 36.6 | 31.1 | -3.8 | 0 | 0 | 0 | 117.2 | ||||
| 391 | V | 29.4 | Very low | 34.3 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | 126.2 | 127.4 | 140.4 | -175.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 392 | L | 33.8 | Very low | 34.1 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -20.4 | 139 | 167.6 | -86.9 | 67.4 | 0 | 0 | 0 | 119.1 | ||||
| 393 | A | 34.7 | Very low | 34.1 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | -152.9 | 155.6 | 129.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 394 | K | 32.8 | Very low | 34 | Very low | 186 Ų | 186 | 122.3 Ų | 122.3 | 81% | 0.809 | 80% | 0.802 | S | S | * | * | trans | -122.4 | 156.3 | -153.2 | -148.9 | -177.3 | -179 | 177.3 | 0 | 108.5 | ||||
| 395 | C | 30.5 | Very low | 34.2 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 70% | 0.703 | 81% | 0.808 | S | S | * | * | trans | 74.3 | 145.9 | 158.4 | -56.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 396 | T | 28.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | cis | -176.2 | 162.8 | -1.3 | 19.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 397 | T | 29.4 | Very low | 33.1 | Very low | 137 Ų | 137 | 130 Ų | 130 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | 79.5 | 125.1 | 144.4 | 47.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 398 | G | 31.6 | Very low | 33.6 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 106.5 | 85.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 399 | S | 32.5 | Very low | 34 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | 51.4 | 102.5 | 86.5 | -177.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 400 | V | 33.9 | Very low | 34.3 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | -160.2 | 138.8 | 127.8 | 172.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 401 | S | 33.1 | Very low | 33.7 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -67 | 148.1 | -176.3 | -43.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 402 | Q | 33.9 | Very low | 34.2 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | 150.5 | 126.5 | 116.9 | -85.3 | -171.9 | -14.4 | 0 | 0 | 113.5 | |||||
| 403 | G | 30.7 | Very low | 35 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 90.4 | 115.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 404 | G | 31.5 | Very low | 35.5 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | 122 | 104.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 405 | Y | 37.6 | Very low | 36.2 | Very low | 241 Ų | 241 | 137.2 Ų | 137.2 | 95% | 0.945 | 81% | 0.81 | S | S | * | * | trans | 45.8 | 112 | 149.4 | -67.1 | -89.6 | 0 | 0 | 0 | 119.3 | ||||
| 406 | Q | 31.9 | Very low | 37.2 | Very low | 188 Ų | 188 | 143.3 Ų | 143.3 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -127.1 | 126.5 | 162 | -93.1 | -85.8 | -6.7 | 0 | 0 | 111 | ||||
| 407 | S | 33 | Very low | 38.1 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 67% | 0.671 | 83% | 0.827 | S | S | * | * | trans | -65.1 | 152.2 | 171.8 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | Y409 | S407-Y409 PolarHBondContact O-N 2.94Š| ||
| 408 | P | 41.6 | Very low | 38.9 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 75% | 0.747 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -94.6 | 78.4 | -168.3 | 37.3 | -31 | 0 | 0 | 0 | 111.1 | ||
| 409 | Y | 39.7 | Very low | 39.2 | Very low | 223 Ų | 223 | 151.9 Ų | 151.9 | 88% | 0.875 | 84% | 0.837 | S | S | * | * | trans | -149.7 | 132.1 | 155.9 | -103.4 | -86.5 | 0 | 0 | 0 | 108.6 | S407 | S407-Y409 PolarHBondContact O-N 2.94Š| ||
| 410 | Q | 38.7 | Very low | 39.5 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | trans | 102.7 | 84.1 | 166.8 | -155.3 | 167 | 2.9 | 0 | 0 | 117.6 | ||||
| 411 | A | 39.8 | Very low | 39.6 | Very low | 100 Ų | 100 | 154.7 Ų | 154.7 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | trans | -176.3 | 121.9 | 131.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 412 | G | 40 | Very low | 39.8 | Very low | 68 Ų | 68 | 157.8 Ų | 157.8 | 70% | 0.701 | 84% | 0.836 | S | S | * | * | cis | 90.7 | 83.1 | 36 | 0 | 0 | 0 | 0 | 0 | 109 | N414 | G412-N414 PolarHBondContact O-N 2.92Š| ||
| 413 | I | 49.4 | Very low | 40.3 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 32.1 | 80.9 | 147.1 | -82.1 | 150.3 | 0 | 0 | 0 | 114.5 | ||
| 414 | N | 45.4 | Very low | 40.4 | Very low | 159 Ų | 159 | 163 Ų | 163 | 85% | 0.85 | 83% | 0.832 | S | S | * | * | trans | -177.3 | 57.7 | 153.5 | -92.9 | -29.9 | 0 | 0 | 0 | 112.1 | G412 | G412-N414 PolarHBondContact O-N 2.92Š| ||
| 415 | Q | 47.8 | Very low | 40.6 | Very low | 196 Ų | 196 | 169.2 Ų | 169.2 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | trans | -142.3 | 67.8 | 162.7 | -80.2 | -166.8 | 21.2 | 0 | 0 | 110.7 | ||||
| 416 | R | 51.6 | Low | 40.4 | Very low | 233 Ų | 233 | 161.2 Ų | 161.2 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | trans | -132.2 | 92.1 | 157.7 | -72.3 | -173.5 | -159.7 | -124.1 | 2.1 | 106.4 | ||||
| 417 | F | 47.1 | Very low | 40.3 | Very low | 197 Ų | 197 | 158.2 Ų | 158.2 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | S | Bend | trans | 157.2 | 73.2 | 153 | -92.5 | -71.4 | 0 | 0 | 0 | 108.6 | ||
| 418 | H | 46.3 | Very low | 40.2 | Very low | 200 Ų | 200 | 163.3 Ų | 163.3 | 93% | 0.926 | 85% | 0.845 | S | S | * | * | trans | -168.8 | 89.7 | 153.6 | -85.5 | -54.2 | 0 | 0 | 0 | 108.1 | ||||
| 419 | A | 38.6 | Very low | 39.7 | Very low | 106 Ų | 106 | 166.3 Ų | 166.3 | 88% | 0.876 | 85% | 0.849 | S | S | * | * | trans | 173.2 | 86.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 420 | A | 36.9 | Very low | 39.8 | Very low | 92 Ų | 92 | 161.4 Ų | 161.4 | 76% | 0.76 | 85% | 0.845 | S | S | * | * | trans | -144.9 | 86.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 421 | W | 37 | Very low | 39.4 | Very low | 230 Ų | 230 | 159.5 Ų | 159.5 | 87% | 0.871 | 84% | 0.841 | S | S | * | * | trans | -163.9 | 141.3 | 158.3 | -116.8 | 83 | 0 | 0 | 0 | 109.3 | ||||
| 422 | H | 36.5 | Very low | 39 | Very low | 165 Ų | 165 | 160.8 Ų | 160.8 | 76% | 0.764 | 84% | 0.843 | S | S | * | * | trans | 94.3 | 95.6 | 178.7 | -66.7 | -81.2 | 0 | 0 | 0 | 118.4 | ||||
| 423 | K | 45.6 | Very low | 38.5 | Very low | 189 Ų | 189 | 166.1 Ų | 166.1 | 82% | 0.822 | 85% | 0.85 | S | S | * | * | trans | -103.9 | 157.3 | 144.1 | -73.8 | -160.1 | 172.2 | -153.5 | 0 | 109.6 | ||||
| 424 | F | 32.9 | Very low | 37.6 | Very low | 196 Ų | 196 | 164.8 Ų | 164.8 | 86% | 0.86 | 85% | 0.85 | S | S | * | * | trans | 81.3 | 94.6 | 163.2 | -85.2 | -86.3 | 0 | 0 | 0 | 118.8 | ||||
| 425 | Q | 35.5 | Very low | 36.9 | Very low | 197 Ų | 197 | 164.9 Ų | 164.9 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | trans | -151.1 | 126.6 | 131.8 | -138.4 | 157.7 | 24.7 | 0 | 0 | 108.8 | ||||
| 426 | G | 33.1 | Very low | 36.8 | Very low | 73 Ų | 73 | 161 Ų | 161 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | trans | -72.1 | 146.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 427 | S | 29.6 | Very low | 35.8 | Very low | 125 Ų | 125 | 153.4 Ų | 153.4 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -103.4 | 112.3 | 169.8 | -165.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 428 | F | 31.4 | Very low | 35.1 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 149.8 | 160.9 | -99.9 | -93.5 | 0 | 0 | 0 | 109.6 | ||
| 429 | E | 31 | Very low | 35.2 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 148.3 | 170.5 | -148.2 | -157.7 | -175.1 | 0 | 0 | 110.1 | ||
| 430 | P | 42.5 | Very low | 35.2 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 145.4 | 174.7 | 34.3 | -27.8 | 0 | 0 | 0 | 114.2 | ||
| 431 | D | 29.7 | Very low | 35.7 | Very low | 155 Ų | 155 | 148.3 Ų | 148.3 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 157.8 | -179 | -99.9 | -45.8 | 0 | 0 | 0 | 119.7 | ||
| 432 | S | 31.3 | Very low | 35.3 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -156.3 | 87.7 | 136.8 | -76.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 433 | Q | 30.2 | Very low | 35.1 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | 17 | 131.8 | 135.6 | -159.7 | 172.4 | 7 | 0 | 0 | 121.5 | ||||
| 434 | V | 29.5 | Very low | 34.5 | Very low | 140 Ų | 140 | 139 Ų | 139 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | -177.1 | 136.1 | 114.4 | 158.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 435 | Q | 30.7 | Very low | 35.3 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -105.2 | 174.5 | -178.5 | -124.8 | -154.1 | 49.6 | 0 | 0 | 110.7 | ||||
| 436 | P | 45.5 | Very low | 35.2 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | -154.1 | 159 | 61.8 | 38.1 | -14.6 | 0 | 0 | 0 | 121 | |||||
| 437 | A | 30.7 | Very low | 34.9 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 60% | 0.603 | 77% | 0.774 | S | S | * | * | trans | 62 | 108.5 | 137.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 438 | Q | 33.5 | Very low | 35 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | 86.6 | 157.5 | 87.9 | -75.2 | -81.3 | -13.1 | 0 | 0 | 114.3 | |||||
| 439 | P | 48.6 | Very low | 34.9 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | cis | -140.5 | 154.4 | -10.4 | 35.4 | -14.5 | 0 | 0 | 0 | 117.8 | ||||
| 440 | V | 37.3 | Very low | 36 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | 71.7 | 153.6 | 128.6 | 169.9 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 441 | P | 48.9 | Very low | 35.4 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 60% | 0.604 | 76% | 0.763 | S | S | * | * | cis | -149 | -179.1 | -34.7 | 41.7 | -21.9 | 0 | 0 | 0 | 117.7 | ||||
| 442 | L | 27.8 | Very low | 35.4 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 93.4 | 142.3 | 128.1 | -102.3 | 152.5 | 0 | 0 | 0 | 123.7 | |||||
| 443 | L | 33 | Very low | 35.4 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | 90 | 128.7 | 157.9 | -57.1 | 165.1 | 0 | 0 | 0 | 116.5 | ||||
| 444 | S | 32 | Very low | 35.4 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | cis | 134.3 | 155.6 | 0.7 | 59.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 445 | P | 50.4 | Low | 35.7 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | trans | -111.7 | 156.9 | -153.9 | 39.4 | -28.9 | 0 | 0 | 0 | 115 | ||||
| 446 | K | 31.7 | Very low | 35.7 | Very low | 196 Ų | 196 | 124.7 Ų | 124.7 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | -177.9 | 115.7 | 153.7 | -133.4 | 129.3 | 171.4 | 170.4 | 0 | 111.6 | ||||
| 447 | E | 28.3 | Very low | 35.8 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | 59.1 | 114.6 | 95.7 | -75.5 | -82.6 | 161.6 | 0 | 0 | 116.3 | |||||
| 448 | L | 31.8 | Very low | 35.8 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | trans | -156.4 | 123.7 | 140 | -79 | -176.6 | 0 | 0 | 0 | 109.7 | ||||
| 449 | S | 29.5 | Very low | 35.8 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | -101.1 | -168.5 | 166.7 | -53.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 450 | P | 53.5 | Low | 35 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | cis | -143.1 | -166.9 | -7.4 | 27.7 | -0.8 | 0 | 0 | 0 | 115.9 | ||||
| 451 | V | 28.7 | Very low | 35.2 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | 99.3 | 120.7 | 156 | -177.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 452 | T | 30.9 | Very low | 34.7 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | cis | -143.5 | 143.7 | 41.2 | 41.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 453 | S | 30 | Very low | 35.3 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -6.4 | 143.4 | 147.1 | 47.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 454 | S | 31.7 | Very low | 35.4 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | -170.1 | 150.2 | 52.2 | 53 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 455 | S | 35.5 | Very low | 35.7 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 69.3 | 102.8 | 151.3 | 62.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 456 | S | 31.3 | Very low | 35.4 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -61.4 | 173.6 | 149.8 | -128.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 457 | P | 47.4 | Very low | 35.9 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | -137.5 | 160.1 | 30 | 35.1 | -12.2 | 0 | 0 | 0 | 119.1 | ||||
| 458 | E | 29.9 | Very low | 36.6 | Very low | 182 Ų | 182 | 130.3 Ų | 130.3 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | 30.7 | 139.7 | 141 | -80.5 | 173 | 117.6 | 0 | 0 | 120.1 | ||||
| 459 | A | 33.3 | Very low | 37.4 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | cis | -163 | 150.5 | 27.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 460 | S | 31.6 | Very low | 38.2 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -96.2 | 148.6 | 147.4 | 97.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 461 | P | 42.5 | Very low | 37.8 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | -144.9 | 145.9 | 67 | 32.4 | -11.6 | 0 | 0 | 0 | 116.1 | K463 | P461-K463 PolarHBondContact O-N 3.02Š| |||
| 462 | V | 37.8 | Very low | 38.6 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -11.6 | 111.8 | 143.9 | 179 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 463 | K | 39.9 | Very low | 39 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 170.7 | 93 | 139.1 | -95.9 | 166.1 | -175.8 | -178.9 | 0 | 109.3 | P461 | P461-K463 PolarHBondContact O-N 3.02Š| ||
| 464 | Q | 36.2 | Very low | 39.6 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -164.4 | 130.7 | 143 | -120.5 | 173.1 | -15.8 | 0 | 0 | 112.5 | ||||
| 465 | M | 38.4 | Very low | 40.2 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 65% | 0.645 | 80% | 0.795 | S | S | * | * | trans | 65.8 | 84.3 | 154.7 | -72.6 | 178.9 | -63.2 | 0 | 0 | 117.6 | R467 | M465-R467 VanDerWaalsContact C-N 3.32Å; M465-R467 PolarHBondContact O-N 3.2Å | ||
| 466 | A | 42.9 | Very low | 40.5 | Very low | 106 Ų | 106 | 143.8 Ų | 143.8 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | -54.5 | 105.1 | 119.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 467 | R | 42.3 | Very low | 40.8 | Very low | 220 Ų | 220 | 148 Ų | 148 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -176.6 | 102.1 | 158.4 | -102.2 | 167.2 | -175.5 | -177.5 | 1.5 | 108.1 | M465 | M465-R467 VanDerWaalsContact C-N 3.32Å; M465-R467 PolarHBondContact O-N 3.2Å | ||
| 468 | S | 42.9 | Very low | 40 | Very low | 94 Ų | 94 | 148.9 Ų | 148.9 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | trans | 155.6 | 82.5 | 142.9 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 469 | T | 48.4 | Very low | 40 | Very low | 140 Ų | 140 | 146 Ų | 146 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -105.3 | 138.8 | 142.9 | -48.6 | 0 | 0 | 0 | 0 | 104.4 | ||
| 470 | V | 46.2 | Very low | 39.8 | Very low | 136 Ų | 136 | 148 Ų | 148 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 91.8 | 54.6 | -170 | -161.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 471 | T | 45.9 | Very low | 39.9 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | -155.7 | 45.7 | 142.7 | -23.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 472 | Q | 45.1 | Very low | 39.4 | Very low | 189 Ų | 189 | 153.3 Ų | 153.3 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -131 | 40.1 | 176 | -72.5 | -167.3 | 1.2 | 0 | 0 | 113.8 | ||
| 473 | V | 38.8 | Very low | 39 | Very low | 143 Ų | 143 | 153 Ų | 153 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -129 | 0.2 | 170 | -173.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 474 | L | 42.9 | Very low | 38.6 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -130.3 | 40.7 | -178.1 | -93 | 149.7 | 0 | 0 | 0 | 113.4 | ||
| 475 | S | 44.4 | Very low | 38.3 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -149.1 | 57.3 | 174.2 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 476 | R | 42.2 | Very low | 38.1 | Very low | 240 Ų | 240 | 145.9 Ų | 145.9 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -141.3 | 43.4 | 165.3 | -76.2 | -151.3 | 175.8 | -120.4 | -0.9 | 113.5 | ||||
| 477 | F | 36.8 | Very low | 37.6 | Very low | 199 Ų | 199 | 149.3 Ų | 149.3 | 87% | 0.873 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -138.8 | 120.3 | 155.2 | -104.2 | -88.7 | 0 | 0 | 0 | 109.4 | ||
| 478 | T | 31.4 | Very low | 37.2 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | 83.5 | 98.6 | 166.9 | 78.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 479 | S | 29.7 | Very low | 36.6 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | 163.8 | 127 | 113.4 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 480 | V | 30.1 | Very low | 36.2 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 80% | 0.8 | 83% | 0.827 | S | S | * | * | trans | 178.8 | 100.4 | 136.2 | 152.9 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 481 | Q | 32.9 | Very low | 36 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | 57 | 122.4 | 99.2 | -91.9 | -169.5 | 19.7 | 0 | 0 | 112.4 | |||||
| 482 | Q | 32.7 | Very low | 35.4 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | -169.5 | 163.1 | 52.8 | -115.4 | 166.8 | 22.2 | 0 | 0 | 114.3 | |||||
| 483 | S | 29.3 | Very low | 35 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 88% | 0.881 | 83% | 0.829 | S | S | * | * | trans | 83.1 | 126.1 | 171 | 81.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 484 | G | 31.4 | Very low | 35 | Very low | 67 Ų | 67 | 146 Ų | 146 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | cis | -175.1 | 163.3 | -0.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 485 | S | 30.5 | Very low | 35.5 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | 73.5 | 107.1 | 164.2 | 70 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 486 | M | 32.5 | Very low | 35.1 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | 81.8 | 120.8 | 121.3 | -69.4 | -168.1 | 139 | 0 | 0 | 123 | |||||
| 487 | K | 33.7 | Very low | 34.6 | Very low | 179 Ų | 179 | 139 Ų | 139 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | trans | 91.7 | 94.7 | 141.3 | -73.2 | 179.1 | 177.8 | -177.3 | 0 | 120.4 | ||||
| 488 | Q | 32.5 | Very low | 34.9 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 94% | 0.944 | 81% | 0.807 | S | S | * | * | 29.9 | 125.9 | 129.1 | -77.7 | 178.6 | -34.6 | 0 | 0 | 121.2 | |||||
| 489 | G | 31.2 | Very low | 35.4 | Very low | 78 Ų | 78 | 137.6 Ų | 137.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 178.7 | 122.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 490 | T | 39.3 | Very low | 35.8 | Very low | 142 Ų | 142 | 143 Ų | 143 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | trans | -66.1 | 163.6 | -169.8 | 36.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 491 | P | 43.5 | Very low | 36.4 | Very low | 121 Ų | 121 | 148 Ų | 148 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -90.1 | 146.3 | -169.3 | 36.2 | -31.6 | 0 | 0 | 0 | 112.5 | ||||
| 492 | N | 33.7 | Very low | 36.5 | Very low | 162 Ų | 162 | 145 Ų | 145 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -142.5 | 119.8 | 159.1 | -150.2 | -10.6 | 0 | 0 | 0 | 110.4 | ||||
| 493 | N | 34.8 | Very low | 36.7 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -89.6 | 131.3 | 172.3 | -79.4 | -52.7 | 0 | 0 | 0 | 108.3 | ||||
| 494 | S | 39.8 | Very low | 36.9 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -149.5 | 118.2 | 157.9 | -174 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 495 | P | 53.3 | Low | 37.2 | Very low | 110 Ų | 110 | 145 Ų | 145 | 71% | 0.714 | 82% | 0.819 | S | S | * | * | trans | -107.9 | 95.5 | 175.5 | 34.1 | -19.9 | 0 | 0 | 0 | 109.1 | ||||
| 496 | F | 35.4 | Very low | 38.1 | Very low | 214 Ų | 214 | 144.9 Ų | 144.9 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | 169.6 | 136 | 154.6 | -97.5 | -70 | 0 | 0 | 0 | 110.6 | ||||
| 497 | G | 32.9 | Very low | 38.2 | Very low | 54 Ų | 54 | 144.9 Ų | 144.9 | 56% | 0.557 | 82% | 0.818 | S | S | * | * | trans | 109.3 | 103.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 498 | T | 43 | Very low | 38.1 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | 75 | 103.9 | 70.6 | 61.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 499 | D | 41.1 | Very low | 38.9 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -164.5 | 102 | 156.8 | 32.4 | -13.5 | 0 | 0 | 0 | 111.6 | ||||
| 500 | Y | 39.3 | Very low | 38.9 | Very low | 237 Ų | 237 | 138.5 Ų | 138.5 | 93% | 0.929 | 81% | 0.808 | S | S | * | * | trans | -76.2 | 118.7 | 155.1 | -106.2 | -96 | 0 | 0 | 0 | 108.8 | ||||
| 501 | R | 42.4 | Very low | 38.6 | Very low | 237 Ų | 237 | 138.5 Ų | 138.5 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | trans | 171.3 | 141.3 | 156 | -109.9 | -174.2 | -149.6 | -104 | 0.7 | 107.1 | ||||
| 502 | S | 34.5 | Very low | 38 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | cis | -158.4 | 152.9 | 18.6 | -76 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 503 | L | 37 | Very low | 38 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -56.4 | 143.4 | 163.5 | -59 | 161.5 | 0 | 0 | 0 | 111.7 | ||||
| 504 | A | 34 | Very low | 37.8 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | 168 | 120.5 | 122.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 505 | A | 37.7 | Very low | 37.7 | Very low | 93 Ų | 93 | 139 Ų | 139 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -75.4 | 159.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 506 | P | 49 | Very low | 36.6 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | -147.3 | 150.6 | 108 | 24.3 | -2.2 | 0 | 0 | 0 | 116.6 | |||||
| 507 | L | 33.3 | Very low | 36.8 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | 76.9 | 116.7 | 144.6 | -61.3 | 161.7 | 0 | 0 | 0 | 120.8 | ||||
| 508 | S | 32.5 | Very low | 37.1 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | -84.6 | 174.2 | 152.5 | -60.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 509 | P | 49.7 | Very low | 37.1 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | cis | -144.1 | 161.1 | 20.2 | 40.1 | -20 | 0 | 0 | 0 | 117.5 | ||||
| 510 | A | 31 | Very low | 37 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | trans | -176 | 118 | 141.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 511 | T | 32.9 | Very low | 36.7 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | 21.1 | 119.8 | 143.6 | 42.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 512 | G | 31 | Very low | 36.5 | Very low | 77 Ų | 77 | 125.5 Ų | 125.5 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | 108.3 | 110.5 | 115.6 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 513 | R | 33.8 | Very low | 36.6 | Very low | 255 Ų | 255 | 132.4 Ų | 132.4 | 96% | 0.962 | 83% | 0.83 | S | S | * | * | trans | 95.5 | 134.3 | 146.3 | -129.5 | 175.6 | -160.9 | -179 | 4.3 | 117.9 | ||||
| 514 | A | 30.6 | Very low | 36.4 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 70% | 0.702 | 82% | 0.821 | S | S | * | * | trans | 98.6 | 115.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 515 | T | 37.4 | Very low | 36.5 | Very low | 142 Ų | 142 | 130.6 Ų | 130.6 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | trans | 67.5 | 84.9 | 141.1 | 59.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 516 | G | 30.7 | Very low | 36.6 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | -93.2 | 112.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 517 | A | 38.6 | Very low | 36.2 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -94.3 | 134.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 518 | V | 39.9 | Very low | 36.2 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | trans | -144.2 | 163.7 | 163 | -142.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 519 | P | 43.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | -109.2 | 165.7 | -104.6 | 34.5 | -15.9 | 0 | 0 | 0 | 112.9 | G521 | P519-G521 PolarHBondContact O-N 3.01Š| |||
| 520 | Q | 39 | Very low | 36.5 | Very low | 203 Ų | 203 | 137.4 Ų | 137.4 | 95% | 0.949 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 118 | -179.9 | -68.9 | -178.8 | -37.5 | 0 | 0 | 112.3 | ||
| 521 | G | 31.6 | Very low | 37 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 126 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P519 | P519-G521 PolarHBondContact O-N 3.01Š|
| 522 | V | 38.2 | Very low | 37.6 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 94% | 0.939 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 127.8 | 176.6 | -83.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 523 | R | 36.8 | Very low | 38.3 | Very low | 243 Ų | 243 | 145.4 Ų | 145.4 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | trans | -114.4 | 136.6 | 165.4 | -77.1 | -158.7 | 175.2 | -139.3 | 1 | 110.7 | ||||
| 524 | S | 33.8 | Very low | 38.9 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 157.1 | 174.9 | -48.8 | 0 | 0 | 0 | 0 | 112.8 | T526 | S524-T526 PolarHBondContact O-N 2.85Š|
| 525 | P | 35.9 | Very low | 40.3 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 122.6 | -174.3 | -11.3 | 26.8 | 0 | 0 | 0 | 111.4 | ||
| 526 | T | 38.7 | Very low | 41.2 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 117 | 169 | -56.4 | 0 | 0 | 0 | 0 | 108.1 | S524 | S524-T526 PolarHBondContact O-N 2.85Š|
| 527 | I | 41.1 | Very low | 42.3 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 125 | 174.2 | -56.3 | 167.7 | 0 | 0 | 0 | 107.8 | R529 | I527-R529 PolarHBondContact O-N 2.97Š|
| 528 | S | 33.3 | Very low | 43.2 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -64.3 | 113.7 | 177.3 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | V530 | S528-V530 VanDerWaalsContact C-N 3.27Å; S528-V530 PolarHBondContact O-N 3.08Å; S528-V530 VanDerWaalsContact O-N 3.1Å | ||
| 529 | R | 44.8 | Very low | 43.7 | Very low | 216 Ų | 216 | 144 Ų | 144 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | -82.5 | 67.1 | 172.9 | -172.5 | -176.9 | 177.1 | 148.8 | -3 | 110.2 | I527 | I527-R529 PolarHBondContact O-N 2.97Š| ||
| 530 | V | 43.1 | Very low | 44.2 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -124 | 67 | 166.4 | -178.6 | 0 | 0 | 0 | 0 | 108 | S528 | S528-V530 VanDerWaalsContact C-N 3.27Å; S528-V530 PolarHBondContact O-N 3.08Å; S528-V530 VanDerWaalsContact O-N 3.1Å | ||
| 531 | E | 42.8 | Very low | 44.3 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -160.4 | 85.7 | 151.8 | -131.5 | -159.8 | -178.3 | 0 | 0 | 108.1 | ||||
| 532 | R | 45.9 | Very low | 44.9 | Very low | 214 Ų | 214 | 150.5 Ų | 150.5 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | -138.5 | 98.2 | 162.3 | -154.7 | -177.9 | -117.4 | -113.6 | 1.7 | 105.7 | ||||
| 533 | G | 43.8 | Very low | 45.1 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 147.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 534 | N | 47 | Very low | 45 | Very low | 158 Ų | 158 | 143 Ų | 143 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 131.4 | 175.6 | -67.8 | -35.6 | 0 | 0 | 0 | 110.2 | ||
| 535 | P | 60.8 | Low | 45.3 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 145.9 | 168.4 | 29.1 | -32.2 | 0 | 0 | 0 | 109.5 | ||
| 536 | P | 55.2 | Low | 45.3 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 150.5 | 178.9 | 27.8 | -33.6 | 0 | 0 | 0 | 110.9 | ||
| 537 | P | 53.7 | Low | 45.1 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67 | 136.4 | -178 | 26.5 | -32.5 | 0 | 0 | 0 | 111.4 | ||
| 538 | I | 57.7 | Low | 44.6 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 129.8 | 174.1 | -60 | 167.7 | 0 | 0 | 0 | 108.6 | ||
| 539 | P | 51 | Low | 45.1 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 142.1 | 178.1 | 24.3 | -30.6 | 0 | 0 | 0 | 111.3 | ||
| 540 | P | 54.6 | Low | 44.7 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 136.4 | -176.9 | 26.1 | -32.9 | 0 | 0 | 0 | 111.5 | K542 | P540-K542 PolarHBondContact O-N 3.49Š|
| 541 | K | 40.1 | Very low | 44.2 | Very low | 205 Ų | 205 | 142 Ų | 142 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 127 | 172.7 | -68.1 | -175.6 | 176.3 | -180 | 0 | 109.5 | ||
| 542 | K | 44 | Very low | 44.4 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 135.6 | 173.2 | -66.6 | 179.8 | -179.8 | 176.5 | 0 | 109.8 | P540 S544 | P540-K542 PolarHBondContact O-N 3.49Å; K542-S544 PolarHBondContact O-N 3.03Å |
| 543 | P | 43.5 | Very low | 43.7 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 124.5 | 172.6 | 26.6 | -29.6 | 0 | 0 | 0 | 109.5 | L545 | P543-L545 PolarHBondContact O-N 3.1Š|
| 544 | S | 33.5 | Very low | 43.3 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 124.3 | 172.1 | 45.9 | 0 | 0 | 0 | 0 | 110.9 | K542 | K542-S544 PolarHBondContact O-N 3.03Š|
| 545 | L | 41.2 | Very low | 42.9 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 133.5 | 172.2 | -150.7 | 83.9 | 0 | 0 | 0 | 109.9 | P543 | P543-L545 PolarHBondContact O-N 3.1Š|
| 546 | A | 34.8 | Very low | 42.4 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 127.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 547 | Q | 36.2 | Very low | 41.5 | Very low | 195 Ų | 195 | 137 Ų | 137 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | 41 | 120.3 | 127 | -134.7 | 175.8 | 4.8 | 0 | 0 | 121.4 | |||||
| 548 | A | 29.9 | Very low | 40.5 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | 163.2 | 164.2 | 120.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 549 | P | 44 | Very low | 39.2 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | cis | -127.7 | -172.3 | -48 | 36.6 | -18.9 | 0 | 0 | 0 | 113.1 | ||||
| 550 | L | 36.3 | Very low | 38.4 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -50.8 | 153.2 | -167.2 | -69.4 | 141.4 | 0 | 0 | 0 | 120.1 | ||||
| 551 | S | 32 | Very low | 37.3 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -149.8 | 155.9 | 145.4 | -79.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 552 | P | 46.2 | Very low | 36.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | -105.7 | 167.3 | -148.3 | 38.7 | -32.1 | 0 | 0 | 0 | 116 | ||||
| 553 | A | 32.2 | Very low | 36.5 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | 76.4 | 107.3 | 153 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 554 | A | 35.6 | Very low | 36 | Very low | 105 Ų | 105 | 134 Ų | 134 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | -176.7 | 121.5 | 112 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 555 | V | 38.7 | Very low | 35.9 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -77.7 | 165.4 | 166.8 | 158.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 556 | P | 50.2 | Low | 35.6 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | cis | -143.7 | 172.8 | 26 | 12.2 | 17.6 | 0 | 0 | 0 | 120.7 | ||||
| 557 | K | 36.5 | Very low | 35.5 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | 74.7 | 134.7 | 145.9 | -77.9 | 160.3 | 179.8 | 169.5 | 0 | 116.3 | ||||
| 558 | S | 32.3 | Very low | 35.3 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | cis | -174.8 | 154.7 | 11.7 | 48.2 | 0 | 0 | 0 | 0 | 105 | ||||
| 559 | G | 30.7 | Very low | 35.4 | Very low | 68 Ų | 68 | 129.2 Ų | 129.2 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | 178.8 | 161 | 5.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 560 | N | 33.2 | Very low | 34.7 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | 81.8 | 87.1 | 165.5 | -69.8 | 28.7 | 0 | 0 | 0 | 120 | ||||
| 561 | H | 32 | Very low | 34.5 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -67.6 | 155.1 | 143.2 | -88.7 | -95.4 | 0 | 0 | 0 | 112.9 | ||||
| 562 | F | 30.1 | Very low | 34.4 | Very low | 198 Ų | 198 | 124.3 Ų | 124.3 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | 177.7 | 106.2 | 116.5 | -100.2 | -79.7 | 0 | 0 | 0 | 106 | |||||
| 563 | S | 37.6 | Very low | 33.8 | Very low | 85 Ų | 85 | 126.6 Ų | 126.6 | 59% | 0.594 | 79% | 0.791 | S | S | * | * | 60.4 | 136.8 | 75.6 | -44.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 564 | E | 32.7 | Very low | 33.9 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | cis | -176.7 | 153.4 | 29.2 | -149.4 | 175.5 | -179.2 | 0 | 0 | 104.8 | ||||
| 565 | T | 30.8 | Very low | 33.6 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | 170.1 | 156.6 | 80.6 | -57.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 566 | A | 35.1 | Very low | 33.3 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | -86.9 | -167.7 | -163 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 567 | L | 34.2 | Very low | 32.4 | Very low | 169 Ų | 169 | 131 Ų | 131 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | 100.2 | 148.3 | 164.9 | -53.1 | 175 | 0 | 0 | 0 | 114.3 | ||||
| 568 | S | 31.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | cis | 171.2 | 147 | -16.7 | 177.4 | 0 | 0 | 0 | 0 | 105 | ||||
| 569 | G | 30.9 | Very low | 32.4 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | 87.5 | 116.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 570 | S | 29.8 | Very low | 32.7 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | 94.5 | 118.4 | 77.3 | -173.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 571 | C | 32.2 | Very low | 33.3 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | 56.1 | 123.6 | 148.4 | -62.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 572 | G | 31.1 | Very low | 33.6 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | 113.9 | 104.4 | 125.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 573 | L | 32.7 | Very low | 34 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | 64.3 | 124.8 | 136.1 | -54.1 | 178.1 | 0 | 0 | 0 | 122 | ||||
| 574 | S | 33.7 | Very low | 34 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 66.5 | 108.6 | 139.8 | 63.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 575 | S | 30.4 | Very low | 34.6 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -178.2 | 137.1 | 146.2 | -132.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 576 | T | 31.4 | Very low | 35.2 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | cis | -159.1 | 153.6 | 26.7 | 41 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 577 | Q | 32.2 | Very low | 35.7 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | 166.2 | 122.7 | 84.7 | 176.1 | 176.4 | 13.1 | 0 | 0 | 107.1 | |||||
| 578 | E | 33.4 | Very low | 36.2 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | -175.9 | 121.3 | 127.4 | -108.5 | 172.8 | 169.2 | 0 | 0 | 109.8 | |||||
| 579 | G | 35.9 | Very low | 37.4 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -80.2 | 138.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 580 | V | 35.8 | Very low | 38.2 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | trans | -131 | 123 | 159.8 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | E582 | V580-E582 PolarHBondContact O-N 2.68Š| ||
| 581 | K | 46 | Very low | 38.7 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | trans | -58 | 118.8 | 172.3 | -85.9 | 174.5 | 168.1 | -179.7 | 0 | 110.4 | ||||
| 582 | E | 38.2 | Very low | 39 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | 0.8 | 121 | 129.5 | -164.9 | 177.1 | -158.4 | 0 | 0 | 116.7 | V580 | V580-E582 PolarHBondContact O-N 2.68Š| |||
| 583 | L | 38.2 | Very low | 39.4 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | -169.6 | 100.4 | 117.9 | -110.3 | 145.6 | 0 | 0 | 0 | 108.8 | |||||
| 584 | D | 38.3 | Very low | 39.8 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | -103.7 | 131.4 | 158.4 | -166.9 | 21.4 | 0 | 0 | 0 | 106.7 | V586 | D584-V586 WeakPolarHBondContact OD1-CG2 3.48Š| ||
| 585 | M | 45.1 | Very low | 40.2 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -148.2 | 109.4 | 157.3 | -131.8 | -178.1 | 68.8 | 0 | 0 | 109.4 | ||||
| 586 | V | 44.4 | Very low | 40.9 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 61% | 0.612 | 83% | 0.831 | S | S | * | * | trans | -89.8 | 131.4 | -178.9 | 169.2 | 0 | 0 | 0 | 0 | 108.7 | D584 | D584-V586 WeakPolarHBondContact OD1-CG2 3.48Š| ||
| 587 | V | 43.7 | Very low | 41.6 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 74% | 0.739 | 84% | 0.838 | S | S | * | * | trans | 77.4 | 114.5 | 145.1 | 175.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 588 | S | 45.4 | Very low | 42.3 | Very low | 104 Ų | 104 | 149.8 Ų | 149.8 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | -172.8 | 136.2 | 102.7 | -76 | 0 | 0 | 0 | 0 | 110.9 | N590 | S588-N590 PolarHBondContact O-N 3.21Š| |||
| 589 | S | 55.9 | Low | 43 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | -80.9 | 98.6 | 161.7 | -71.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 590 | N | 49.4 | Very low | 43.7 | Very low | 235 Ų | 235 | 153 Ų | 153 | 100% | 1.257 | 84% | 0.838 | S | S | * | * | trans | 169.5 | 0 | 141.2 | -97 | -6 | 0 | 0 | 0 | 109.5 | S588 | S588-N590 PolarHBondContact O-N 3.21Š|
Retrieved 590 of 590 residues in 724.2 ms
(Link to these results)