| 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 | T | 65.9 | Low | 82.7 | Confident | 151 Ų | 151 | 123.1 Ų | 123.1 | 93% | 0.926 | 61% | 0.609 | S | S | * | * | 0 | 144.7 | 0 | 43 | 0 | 0 | 0 | 0 | 108.4 | W3 D4 | T1-W3 PolarHBondContact O-N 2.97Å; T1-D4 PolarHBondContact O-N 3.49Å; T1-D4 VanDerWaalsContact O-N 3.13Å | |||
| 2 | M | 70.8 | Confident | 83.7 | Confident | 166 Ų | 166 | 125 Ų | 125 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -52.7 | -25.3 | 178.6 | -98.3 | -82.7 | -98.1 | 0 | 0 | 113.5 | N6 | M2-N6 WeakPolarHBondContact O-CB 3.34Å; M2-N6 PolarHBondContact O-N 3.05Å |
| 3 | W | 80.6 | Confident | 84.4 | Confident | 189 Ų | 189 | 123.8 Ų | 123.8 | 72% | 0.716 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.7 | -44.7 | 177.8 | -168.5 | 83.4 | 0 | 0 | 0 | 113.5 | T1 L5 N6 T7 | T1-W3 PolarHBondContact O-N 2.97Å; W3-L5 PolarHBondContact O-N 3.13Å; W3-N6 WeakPolarHBondContact O-CB 3.49Å; W3-N6 PolarHBondContact O-N 3.46Å; W3-N6 VanDerWaalsContact O-N 3.13Å; W3-T7 HydrophobicContact CH2-CG2 4.24Å; W3-T7 HydrophobicContact CZ2-CG2 4.26Å; W3-T7 HydrophobicContact CZ3-CG2 4.4Å; W3-T7 PolarHBondContact O-N 2.98Å; W3-T7 PolarHBondContact O-OG1 3.01Å |
| 4 | D | 81 | Confident | 85.1 | Confident | 94 Ų | 94 | 121 Ų | 121 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.4 | -32.2 | -175.4 | -164.6 | 44 | 0 | 0 | 0 | 112.9 | T1 T7 R8 | T1-D4 PolarHBondContact O-N 3.49Å; T1-D4 VanDerWaalsContact O-N 3.13Å; D4-T7 VanDerWaalsContact CA-OG1 3.24Å; D4-T7 WeakPolarHBondContact CA-OG1 3.33Å; D4-T7 PolarHBondContact O-OG1 3.37Å; D4-R8 PolarHBondContact O-N 2.92Å; D4-R8 VanDerWaalsContact O-N 3.16Å |
| 5 | L | 83.8 | Confident | 85.7 | Confident | 117 Ų | 117 | 120.8 Ų | 120.8 | 61% | 0.613 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.2 | -39.5 | 171.7 | -170.3 | 70.5 | 0 | 0 | 0 | 110.9 | W3 R8 L9 | W3-L5 PolarHBondContact O-N 3.13Å; L5-R8 PolarHBondContact O-N 3.21Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.49Å |
| 6 | N | 83.1 | Confident | 86.3 | Confident | 110 Ų | 110 | 117.1 Ų | 117.1 | 59% | 0.588 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.5 | -34.9 | -178.8 | -149.4 | 9.5 | 0 | 0 | 0 | 111.8 | M2 W3 L9 K10 | M2-N6 WeakPolarHBondContact O-CB 3.34Å; M2-N6 PolarHBondContact O-N 3.05Å; W3-N6 WeakPolarHBondContact O-CB 3.49Å; W3-N6 PolarHBondContact O-N 3.46Å; W3-N6 VanDerWaalsContact O-N 3.13Å; N6-L9 PolarHBondContact O-N 2.94Å; N6-K10 WeakPolarHBondContact O-CB 3.29Å; N6-K10 PolarHBondContact O-N 3.41Å |
| 7 | T | 86.4 | Confident | 86.8 | Confident | 53 Ų | 53 | 115.1 Ų | 115.1 | 33% | 0.325 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.6 | -42 | 171.3 | 29.5 | 0 | 0 | 0 | 0 | 112.4 | W3 D4 K10 S11 | W3-T7 HydrophobicContact CH2-CG2 4.24Å; W3-T7 HydrophobicContact CZ2-CG2 4.26Å; W3-T7 HydrophobicContact CZ3-CG2 4.4Å; W3-T7 PolarHBondContact O-N 2.98Å; W3-T7 PolarHBondContact O-OG1 3.01Å; D4-T7 VanDerWaalsContact CA-OG1 3.24Å; D4-T7 WeakPolarHBondContact CA-OG1 3.33Å; D4-T7 PolarHBondContact O-OG1 3.37Å; T7-K10 PolarHBondContact O-N 3.49Å; T7-S11 PolarHBondContact O-N 2.94Å |
| 8 | R | 86.9 | Confident | 87.3 | Confident | 174 Ų | 174 | 117.7 Ų | 117.7 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.8 | -39.5 | 172.9 | -90.3 | 177.2 | 122.1 | -173.4 | 0.9 | 112.9 | D4 L5 K10 S11 F12 | D4-R8 PolarHBondContact O-N 2.92Å; D4-R8 VanDerWaalsContact O-N 3.16Å; L5-R8 PolarHBondContact O-N 3.21Å; R8-K10 VanDerWaalsContact C-N 3.32Å; R8-S11 PolarHBondContact O-N 3.49Å; R8-S11 PolarHBondContact O-OG 3.39Å; R8-F12 WeakPolarHBondContact O-CB 3.41Å; R8-F12 PolarHBondContact O-N 3.44Å |
| 9 | L | 91 | Very high | 87.6 | Confident | 107 Ų | 107 | 117.3 Ų | 117.3 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.4 | -41.6 | 176.3 | -158.3 | 96.9 | 0 | 0 | 0 | 110.7 | L5 N6 F12 M13 | L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.49Å; N6-L9 PolarHBondContact O-N 2.94Å; L9-F12 PolarHBondContact O-N 3.28Å; L9-M13 VanDerWaalsContact O-CG 3.29Å; L9-M13 WeakPolarHBondContact O-CG 3.24Å; L9-M13 PolarHBondContact O-N 2.99Å |
| 10 | K | 91.3 | Very high | 88 | Confident | 134 Ų | 134 | 117 Ų | 117 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.9 | -45.9 | 176.2 | -170.7 | -176.7 | 178.8 | -171.6 | 0 | 112 | N6 T7 R8 F12 M13 E14 | N6-K10 WeakPolarHBondContact O-CB 3.29Å; N6-K10 PolarHBondContact O-N 3.41Å; T7-K10 PolarHBondContact O-N 3.49Å; R8-K10 VanDerWaalsContact C-N 3.32Å; K10-F12 VanDerWaalsContact C-N 3.33Å; K10-F12 PolarHBondContact O-N 2.91Å; K10-M13 PolarHBondContact O-N 3.35Å; K10-E14 WeakPolarHBondContact CE-OE1 3.44Å; K10-E14 WeakPolarHBondContact O-CG 3.35Å; K10-E14 PolarHBondContact O-N 2.95Å |
| 11 | S | 89.3 | Confident | 88.4 | Confident | 59 Ų | 59 | 117.4 Ų | 117.4 | 41% | 0.413 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.9 | -36.4 | 177.4 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | T7 R8 E14 Q15 | T7-S11 PolarHBondContact O-N 2.94Å; R8-S11 PolarHBondContact O-N 3.49Å; R8-S11 PolarHBondContact O-OG 3.39Å; S11-E14 PolarHBondContact O-N 3.39Å; S11-Q15 WeakPolarHBondContact O-CB 3.44Å; S11-Q15 PolarHBondContact O-N 2.89Å |
| 12 | F | 93.9 | Very high | 89.7 | Confident | 146 Ų | 146 | 112.3 Ų | 112.3 | 64% | 0.64 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 172.3 | -110.8 | -83.6 | 0 | 0 | 0 | 112.1 | R8 L9 K10 E14 Q15 V16 | R8-F12 WeakPolarHBondContact O-CB 3.41Å; R8-F12 PolarHBondContact O-N 3.44Å; L9-F12 PolarHBondContact O-N 3.28Å; K10-F12 VanDerWaalsContact C-N 3.33Å; K10-F12 PolarHBondContact O-N 2.91Å; F12-E14 PolarHBondContact O-N 3.48Å; F12-Q15 PolarHBondContact O-N 3.47Å; F12-V16 VanDerWaalsContact O-CG2 3.31Å; F12-V16 WeakPolarHBondContact O-CG2 3.43Å; F12-V16 PolarHBondContact O-N 3.43Å |
| 13 | M | 93.5 | Very high | 90.9 | Very high | 110 Ų | 110 | 109.1 Ų | 109.1 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 177.7 | -70.1 | -65.5 | -76.1 | 0 | 0 | 111.8 | L9 K10 Q15 V16 N17 | L9-M13 VanDerWaalsContact O-CG 3.29Å; L9-M13 WeakPolarHBondContact O-CG 3.24Å; L9-M13 PolarHBondContact O-N 2.99Å; K10-M13 PolarHBondContact O-N 3.35Å; M13-Q15 VanDerWaalsContact C-N 3.33Å; M13-Q15 PolarHBondContact O-N 3.45Å; M13-V16 PolarHBondContact O-N 3Å; M13-N17 WeakPolarHBondContact O-CB 3.44Å; M13-N17 VanDerWaalsContact O-CG 3.23Å; M13-N17 PolarHBondContact O-N 3.26Å; M13-N17 PolarHBondContact O-ND2 3.08Å |
| 14 | E | 93.9 | Very high | 91.6 | Very high | 84 Ų | 84 | 106.5 Ų | 106.5 | 39% | 0.393 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 173.4 | -75.1 | 173.7 | -167.8 | 0 | 0 | 112 | K10 S11 F12 R18 | K10-E14 WeakPolarHBondContact CE-OE1 3.44Å; K10-E14 WeakPolarHBondContact O-CG 3.35Å; K10-E14 PolarHBondContact O-N 2.95Å; S11-E14 PolarHBondContact O-N 3.39Å; F12-E14 PolarHBondContact O-N 3.48Å; E14-R18 WeakPolarHBondContact O-CG 3.39Å; E14-R18 PolarHBondContact O-N 3.36Å |
| 15 | Q | 94.1 | Very high | 92.3 | Very high | 118 Ų | 118 | 107.8 Ų | 107.8 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.9 | -41.4 | 176.8 | -167.4 | 121.1 | -6.7 | 0 | 0 | 112.2 | S11 F12 M13 N17 R18 L19 | S11-Q15 WeakPolarHBondContact O-CB 3.44Å; S11-Q15 PolarHBondContact O-N 2.89Å; F12-Q15 PolarHBondContact O-N 3.47Å; M13-Q15 VanDerWaalsContact C-N 3.33Å; M13-Q15 PolarHBondContact O-N 3.45Å; Q15-N17 VanDerWaalsContact C-N 3.35Å; Q15-R18 PolarHBondContact O-N 2.91Å; Q15-L19 HydrophobicContact CG-CD1 4.39Å; Q15-L19 WeakPolarHBondContact O-CB 3.32Å; Q15-L19 WeakPolarHBondContact O-CG 3.49Å; Q15-L19 PolarHBondContact O-N 3.44Å |
| 16 | V | 95.5 | Very high | 92.9 | Very high | 62 Ų | 62 | 106.5 Ų | 106.5 | 38% | 0.376 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -44 | 175.2 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | F12 M13 R18 L19 Q20 | F12-V16 VanDerWaalsContact O-CG2 3.31Å; F12-V16 WeakPolarHBondContact O-CG2 3.43Å; F12-V16 PolarHBondContact O-N 3.43Å; M13-V16 PolarHBondContact O-N 3Å; V16-R18 PolarHBondContact O-N 3.01Å; V16-L19 PolarHBondContact O-N 3.16Å; V16-Q20 WeakPolarHBondContact O-CG 3.31Å; V16-Q20 PolarHBondContact O-N 3.37Å |
| 17 | N | 94.1 | Very high | 93.5 | Very high | 82 Ų | 82 | 106.4 Ų | 106.4 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 176.6 | -73.1 | -12.3 | 0 | 0 | 0 | 111.6 | M13 Q15 L19 Q20 E21 | M13-N17 WeakPolarHBondContact O-CB 3.44Å; M13-N17 VanDerWaalsContact O-CG 3.23Å; M13-N17 PolarHBondContact O-N 3.26Å; M13-N17 PolarHBondContact O-ND2 3.08Å; Q15-N17 VanDerWaalsContact C-N 3.35Å; N17-L19 VanDerWaalsContact C-N 3.32Å; N17-L19 PolarHBondContact O-N 2.99Å; N17-Q20 PolarHBondContact O-N 3.13Å; N17-E21 PolarHBondContact O-N 2.96Å |
| 18 | R | 95.5 | Very high | 93.9 | Very high | 162 Ų | 162 | 106.8 Ų | 106.8 | 61% | 0.611 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.5 | -40.5 | 176 | -72.2 | 178.2 | -160.6 | 168.4 | 8.5 | 112.5 | E14 Q15 V16 E21 A22 | E14-R18 WeakPolarHBondContact O-CG 3.39Å; E14-R18 PolarHBondContact O-N 3.36Å; Q15-R18 PolarHBondContact O-N 2.91Å; V16-R18 PolarHBondContact O-N 3.01Å; R18-E21 PolarHBondContact O-N 3.34Å; R18-A22 WeakPolarHBondContact O-CB 3.34Å; R18-A22 PolarHBondContact O-N 3.01Å |
| 19 | L | 94.6 | Very high | 94.3 | Very high | 110 Ų | 110 | 104.1 Ų | 104.1 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.6 | -38.9 | 177.3 | -75 | 171.3 | 0 | 0 | 0 | 111.7 | Q15 V16 N17 A22 N23 | Q15-L19 HydrophobicContact CG-CD1 4.39Å; Q15-L19 WeakPolarHBondContact O-CB 3.32Å; Q15-L19 WeakPolarHBondContact O-CG 3.49Å; Q15-L19 PolarHBondContact O-N 3.44Å; V16-L19 PolarHBondContact O-N 3.16Å; N17-L19 VanDerWaalsContact C-N 3.32Å; N17-L19 PolarHBondContact O-N 2.99Å; L19-A22 PolarHBondContact O-N 3.4Å; L19-N23 WeakPolarHBondContact O-CB 3.41Å; L19-N23 PolarHBondContact O-N 3.39Å |
| 20 | Q | 95 | Very high | 94.3 | Very high | 111 Ų | 111 | 104.5 Ų | 104.5 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 174.1 | -78.2 | 172.1 | -47.6 | 0 | 0 | 111.8 | V16 N17 N23 H24 | V16-Q20 WeakPolarHBondContact O-CG 3.31Å; V16-Q20 PolarHBondContact O-N 3.37Å; N17-Q20 PolarHBondContact O-N 3.13Å; Q20-N23 PolarHBondContact O-N 2.93Å; Q20-H24 PolarHBondContact O-N 2.89Å |
| 21 | E | 95.4 | Very high | 94.3 | Very high | 127 Ų | 127 | 100.8 Ų | 100.8 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | 176.8 | -123.9 | 143.7 | -162.4 | 0 | 0 | 112 | N17 R18 N23 H24 Q25 | N17-E21 PolarHBondContact O-N 2.96Å; R18-E21 PolarHBondContact O-N 3.34Å; E21-N23 VanDerWaalsContact C-N 3.34Å; E21-H24 PolarHBondContact O-N 3.45Å; E21-Q25 VanDerWaalsContact O-CG 3.32Å; E21-Q25 WeakPolarHBondContact O-CG 3.46Å; E21-Q25 PolarHBondContact O-N 3.47Å |
| 22 | A | 94.9 | Very high | 94.4 | Very high | 44 Ų | 44 | 102.8 Ų | 102.8 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R18 L19 Q25 L26 | R18-A22 WeakPolarHBondContact O-CB 3.34Å; R18-A22 PolarHBondContact O-N 3.01Å; L19-A22 PolarHBondContact O-N 3.4Å; A22-Q25 PolarHBondContact O-N 3.25Å; A22-L26 WeakPolarHBondContact O-CG 3.37Å; A22-L26 PolarHBondContact O-N 3.21Å |
| 23 | N | 94.5 | Very high | 94.1 | Very high | 98 Ų | 98 | 103.9 Ų | 103.9 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 176 | -116.2 | 0.3 | 0 | 0 | 0 | 111.5 | L19 Q20 E21 Q25 L26 E27 | L19-N23 WeakPolarHBondContact O-CB 3.41Å; L19-N23 PolarHBondContact O-N 3.39Å; Q20-N23 PolarHBondContact O-N 2.93Å; E21-N23 VanDerWaalsContact C-N 3.34Å; N23-Q25 VanDerWaalsContact C-N 3.29Å; N23-Q25 PolarHBondContact O-N 2.87Å; N23-L26 PolarHBondContact O-N 3.3Å; N23-E27 WeakPolarHBondContact O-CB 3.38Å; N23-E27 WeakPolarHBondContact O-CG 3.37Å; N23-E27 PolarHBondContact O-N 3Å |
| 24 | H | 96.4 | Very high | 93.7 | Very high | 135 Ų | 135 | 101.6 Ų | 101.6 | 63% | 0.625 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -37.1 | 176.2 | -93.4 | -25.6 | 0 | 0 | 0 | 112.7 | Q20 E21 E27 A28 | Q20-H24 PolarHBondContact O-N 2.89Å; E21-H24 PolarHBondContact O-N 3.45Å; H24-E27 IonicContact CE1-OE2 3.81Å; H24-E27 IonicContact ND1-OE2 3.08Å; H24-E27 PolarHBondContact ND1-OE2 2.87Å; H24-E27 VanDerWaalsContact ND1-OE2 3.08Å; H24-A28 WeakPolarHBondContact O-CB 3.4Å; H24-A28 PolarHBondContact O-N 2.73Å |
| 25 | Q | 96.2 | Very high | 93.1 | Very high | 120 Ų | 120 | 104.9 Ų | 104.9 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.1 | -41.7 | 174.4 | -72.1 | 174.8 | 15.1 | 0 | 0 | 112.3 | E21 A22 N23 A28 Q29 | E21-Q25 VanDerWaalsContact O-CG 3.32Å; E21-Q25 WeakPolarHBondContact O-CG 3.46Å; E21-Q25 PolarHBondContact O-N 3.47Å; A22-Q25 PolarHBondContact O-N 3.25Å; N23-Q25 VanDerWaalsContact C-N 3.29Å; N23-Q25 PolarHBondContact O-N 2.87Å; Q25-A28 PolarHBondContact O-N 3.22Å; Q25-Q29 WeakPolarHBondContact O-CG 3.43Å; Q25-Q29 PolarHBondContact O-N 2.97Å |
| 26 | L | 95.4 | Very high | 92.4 | Very high | 90 Ų | 90 | 106.8 Ų | 106.8 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 176.7 | -72.9 | 171.4 | 0 | 0 | 0 | 111.9 | A22 N23 A28 Q29 I30 | A22-L26 WeakPolarHBondContact O-CG 3.37Å; A22-L26 PolarHBondContact O-N 3.21Å; N23-L26 PolarHBondContact O-N 3.3Å; L26-A28 VanDerWaalsContact C-N 3.32Å; L26-A28 PolarHBondContact O-N 2.99Å; L26-Q29 PolarHBondContact O-N 3.43Å; L26-I30 VanDerWaalsContact O-CG1 3.25Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 3.36Å |
| 27 | E | 95.2 | Very high | 91.4 | Very high | 108 Ų | 108 | 106.7 Ų | 106.7 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 174.1 | -73.8 | 173.6 | 166.4 | 0 | 0 | 111.4 | N23 H24 I30 A31 | N23-E27 WeakPolarHBondContact O-CB 3.38Å; N23-E27 WeakPolarHBondContact O-CG 3.37Å; N23-E27 PolarHBondContact O-N 3Å; H24-E27 IonicContact CE1-OE2 3.81Å; H24-E27 IonicContact ND1-OE2 3.08Å; H24-E27 PolarHBondContact ND1-OE2 2.87Å; H24-E27 VanDerWaalsContact ND1-OE2 3.08Å; E27-I30 PolarHBondContact O-N 3.15Å; E27-A31 WeakPolarHBondContact O-CB 3.48Å; E27-A31 PolarHBondContact O-N 3.27Å |
| 28 | A | 95 | Very high | 90.1 | Very high | 61 Ų | 61 | 105.9 Ų | 105.9 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H24 Q25 L26 A31 E32 | H24-A28 WeakPolarHBondContact O-CB 3.4Å; H24-A28 PolarHBondContact O-N 2.73Å; Q25-A28 PolarHBondContact O-N 3.22Å; L26-A28 VanDerWaalsContact C-N 3.32Å; L26-A28 PolarHBondContact O-N 2.99Å; A28-A31 PolarHBondContact O-N 2.97Å; A28-E32 PolarHBondContact O-N 2.94Å |
| 29 | Q | 94.9 | Very high | 88.5 | Confident | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.3 | -38.1 | 176.4 | -72.8 | 176.1 | 20.5 | 0 | 0 | 112.4 | Q25 L26 E32 W33 | Q25-Q29 WeakPolarHBondContact O-CG 3.43Å; Q25-Q29 PolarHBondContact O-N 2.97Å; L26-Q29 PolarHBondContact O-N 3.43Å; Q29-E32 PolarHBondContact O-N 3.08Å; Q29-W33 VanDerWaalsContact O-CB 3.25Å; Q29-W33 WeakPolarHBondContact O-CB 3.43Å; Q29-W33 PolarHBondContact O-N 3.16Å |
| 30 | I | 91.7 | Very high | 86.7 | Confident | 115 Ų | 115 | 106.2 Ų | 106.2 | 59% | 0.59 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.4 | -41.5 | 175.4 | -67.5 | 165.7 | 0 | 0 | 0 | 110.5 | L26 E27 W33 S34 | L26-I30 VanDerWaalsContact O-CG1 3.25Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 PolarHBondContact O-N 3.36Å; E27-I30 PolarHBondContact O-N 3.15Å; I30-W33 PolarHBondContact O-N 3.5Å; I30-S34 WeakPolarHBondContact O-CB 3.32Å; I30-S34 PolarHBondContact O-N 3.34Å; I30-S34 PolarHBondContact O-OG 3.46Å |
| 31 | A | 91.2 | Very high | 85 | Confident | 56 Ų | 56 | 104.9 Ų | 104.9 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E27 A28 S34 F35 | E27-A31 WeakPolarHBondContact O-CB 3.48Å; E27-A31 PolarHBondContact O-N 3.27Å; A28-A31 PolarHBondContact O-N 2.97Å; A31-S34 WeakPolarHBondContact CA-OG 3.34Å; A31-S34 PolarHBondContact O-OG 3.37Å; A31-F35 WeakPolarHBondContact O-CB 3.49Å; A31-F35 PolarHBondContact O-N 2.88Å |
| 32 | E | 92.4 | Very high | 83.4 | Confident | 101 Ų | 101 | 105.1 Ų | 105.1 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 177.1 | -169.2 | -175.5 | 170.5 | 0 | 0 | 111.8 | A28 Q29 F35 R36 | A28-E32 PolarHBondContact O-N 2.94Å; Q29-E32 PolarHBondContact O-N 3.08Å; E32-F35 PolarHBondContact O-N 2.97Å; E32-R36 WeakPolarHBondContact O-CG 3.44Å; E32-R36 PolarHBondContact O-N 3.45Å; E32-R36 IonicContact OE1-CZ 3.06Å; E32-R36 VanDerWaalsContact OE1-CZ 3.3Å; E32-R36 IonicContact OE1-NE 3.15Å; E32-R36 PolarHBondContact OE1-NE 3.18Å; E32-R36 VanDerWaalsContact OE1-NE 3.15Å; E32-R36 IonicContact OE1-NH2 3.76Å; E32-R36 PolarHBondContact OE1-NH2 2.83Å |
| 33 | W | 87.4 | Confident | 82 | Confident | 170 Ų | 170 | 109.4 Ų | 109.4 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.2 | -44.7 | 178.5 | -170.9 | 90.2 | 0 | 0 | 0 | 111.4 | Q29 I30 F35 R36 N37 | Q29-W33 VanDerWaalsContact O-CB 3.25Å; Q29-W33 WeakPolarHBondContact O-CB 3.43Å; Q29-W33 PolarHBondContact O-N 3.16Å; I30-W33 PolarHBondContact O-N 3.5Å; W33-F35 VanDerWaalsContact C-N 3.34Å; W33-F35 PolarHBondContact O-N 3.45Å; W33-R36 PolarHBondContact O-N 3.34Å; W33-N37 HydrophobicContact CE3-CB 4.37Å; W33-N37 WeakPolarHBondContact CH2-ND2 3.34Å; W33-N37 VanDerWaalsContact CZ2-ND2 3.25Å; W33-N37 WeakPolarHBondContact CZ2-ND2 3.25Å; W33-N37 HydrophobicContact CZ3-CB 4.38Å; W33-N37 WeakPolarHBondContact O-CB 3.34Å; W33-N37 PolarHBondContact O-N 3.45Å |
| 34 | S | 83.7 | Confident | 81.2 | Confident | 62 Ų | 62 | 112.4 Ų | 112.4 | 43% | 0.434 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63 | -38.6 | 176.8 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | I30 A31 N37 A38 | I30-S34 WeakPolarHBondContact O-CB 3.32Å; I30-S34 PolarHBondContact O-N 3.34Å; I30-S34 PolarHBondContact O-OG 3.46Å; A31-S34 WeakPolarHBondContact CA-OG 3.34Å; A31-S34 PolarHBondContact O-OG 3.37Å; S34-N37 PolarHBondContact O-N 3.03Å; S34-A38 VanDerWaalsContact O-CB 3.29Å; S34-A38 WeakPolarHBondContact O-CB 3.25Å; S34-A38 PolarHBondContact O-N 3.1Å |
| 35 | F | 82.4 | Confident | 80.7 | Confident | 153 Ų | 153 | 109.6 Ų | 109.6 | 67% | 0.671 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.6 | -45.8 | 173.9 | -178.2 | -99.7 | 0 | 0 | 0 | 112.7 | A31 E32 W33 N37 S39 | A31-F35 WeakPolarHBondContact O-CB 3.49Å; A31-F35 PolarHBondContact O-N 2.88Å; E32-F35 PolarHBondContact O-N 2.97Å; W33-F35 VanDerWaalsContact C-N 3.34Å; W33-F35 PolarHBondContact O-N 3.45Å; F35-N37 VanDerWaalsContact C-N 3.32Å; F35-N37 PolarHBondContact O-N 2.93Å; F35-S39 PolarHBondContact O-N 2.88Å; F35-S39 VanDerWaalsContact O-N 3.16Å; F35-S39 PolarHBondContact O-OG 2.86Å |
| 36 | R | 79.6 | Confident | 80.2 | Confident | 158 Ų | 158 | 111.8 Ų | 111.8 | 60% | 0.596 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.6 | -37 | 174.8 | -73.9 | -175.8 | -175 | -149.9 | 5.1 | 112 | E32 W33 R40 | E32-R36 WeakPolarHBondContact O-CG 3.44Å; E32-R36 PolarHBondContact O-N 3.45Å; E32-R36 IonicContact OE1-CZ 3.06Å; E32-R36 VanDerWaalsContact OE1-CZ 3.3Å; E32-R36 IonicContact OE1-NE 3.15Å; E32-R36 PolarHBondContact OE1-NE 3.18Å; E32-R36 VanDerWaalsContact OE1-NE 3.15Å; E32-R36 IonicContact OE1-NH2 3.76Å; E32-R36 PolarHBondContact OE1-NH2 2.83Å; W33-R36 PolarHBondContact O-N 3.34Å; R36-R40 PolarHBondContact O-N 2.87Å; R36-R40 VanDerWaalsContact O-N 3.1Å |
| 37 | N | 73.9 | Confident | 79.8 | Confident | 60 Ų | 60 | 111.7 Ų | 111.7 | 32% | 0.321 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -78.2 | -33.9 | -179.7 | -117 | 21.4 | 0 | 0 | 0 | 113.3 | W33 S34 F35 S39 R40 S41 | W33-N37 HydrophobicContact CE3-CB 4.37Å; W33-N37 WeakPolarHBondContact CH2-ND2 3.34Å; W33-N37 VanDerWaalsContact CZ2-ND2 3.25Å; W33-N37 WeakPolarHBondContact CZ2-ND2 3.25Å; W33-N37 HydrophobicContact CZ3-CB 4.38Å; W33-N37 WeakPolarHBondContact O-CB 3.34Å; W33-N37 PolarHBondContact O-N 3.45Å; S34-N37 PolarHBondContact O-N 3.03Å; F35-N37 VanDerWaalsContact C-N 3.32Å; F35-N37 PolarHBondContact O-N 2.93Å; N37-S39 PolarHBondContact O-N 2.82Å; N37-R40 CarbonylContact O-C 3.37Å; N37-R40 WeakPolarHBondContact O-CA 3.32Å; N37-R40 PolarHBondContact O-N 2.9Å; N37-S41 PolarHBondContact O-N 2.96Å |
| 38 | A | 67.8 | Low | 79.6 | Confident | 65 Ų | 65 | 111.7 Ų | 111.7 | 54% | 0.537 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.7 | -38.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S34 R40 S41 | S34-A38 VanDerWaalsContact O-CB 3.29Å; S34-A38 WeakPolarHBondContact O-CB 3.25Å; S34-A38 PolarHBondContact O-N 3.1Å; A38-R40 VanDerWaalsContact C-N 3.31Å; A38-R40 PolarHBondContact O-N 3.32Å; A38-S41 VanDerWaalsContact O-CB 3.28Å; A38-S41 WeakPolarHBondContact O-CB 3.15Å; A38-S41 PolarHBondContact O-N 2.94Å; A38-S41 PolarHBondContact O-OG 3.42Å |
| 39 | S | 61 | Low | 79.5 | Confident | 85 Ų | 85 | 113 Ų | 113 | 59% | 0.594 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.4 | -25.3 | 173.6 | -51 | 0 | 0 | 0 | 0 | 113.3 | F35 N37 | F35-S39 PolarHBondContact O-N 2.88Å; F35-S39 VanDerWaalsContact O-N 3.16Å; F35-S39 PolarHBondContact O-OG 2.86Å; N37-S39 PolarHBondContact O-N 2.82Å |
| 40 | R | 57 | Low | 79.5 | Confident | 194 Ų | 194 | 111 Ų | 111 | 73% | 0.732 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -3.1 | 172.2 | -88.6 | -178.9 | 167.6 | 176.5 | -3.2 | 113.7 | R36 N37 A38 Q42 | R36-R40 PolarHBondContact O-N 2.87Å; R36-R40 VanDerWaalsContact O-N 3.1Å; N37-R40 CarbonylContact O-C 3.37Å; N37-R40 WeakPolarHBondContact O-CA 3.32Å; N37-R40 PolarHBondContact O-N 2.9Å; A38-R40 VanDerWaalsContact C-N 3.31Å; A38-R40 PolarHBondContact O-N 3.32Å; R40-Q42 VanDerWaalsContact C-N 3.28Å; R40-Q42 PolarHBondContact O-N 3.49Å |
| 41 | S | 58.5 | Low | 79.7 | Confident | 83 Ų | 83 | 108.5 Ų | 108.5 | 58% | 0.58 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -58.7 | 102.8 | 167.8 | 96.8 | 0 | 0 | 0 | 0 | 105.9 | N37 A38 N43 | N37-S41 PolarHBondContact O-N 2.96Å; A38-S41 VanDerWaalsContact O-CB 3.28Å; A38-S41 WeakPolarHBondContact O-CB 3.15Å; A38-S41 PolarHBondContact O-N 2.94Å; A38-S41 PolarHBondContact O-OG 3.42Å; S41-N43 PolarHBondContact O-N 3.34Å |
| 42 | Q | 61.8 | Low | 80 | Confident | 131 Ų | 131 | 110.8 Ų | 110.8 | 61% | 0.612 | 54% | 0.54 | S | S | * | . | trans | -55.6 | 130.9 | -165.9 | -119.7 | 144.1 | -40.9 | 0 | 0 | 108.7 | R40 W44 | R40-Q42 VanDerWaalsContact C-N 3.28Å; R40-Q42 PolarHBondContact O-N 3.49Å; Q42-W44 HydrophobicContact CB-CZ2 4.28Å; Q42-W44 PolarHBondContact O-N 3.43Å; Q42-W44 PolarHBondContact O-NE1 3.48Å | ||
| 43 | N | 65.8 | Low | 80.2 | Confident | 134 Ų | 134 | 109.6 Ų | 109.6 | 72% | 0.717 | 54% | 0.537 | S | S | * | . | trans | -66.1 | 80.3 | 175.8 | -76.9 | -49 | 0 | 0 | 0 | 110.2 | S41 S45 Q47 | S41-N43 PolarHBondContact O-N 3.34Å; N43-S45 PolarHBondContact O-N 3Å; N43-S45 VanDerWaalsContact O-N 3.13Å; N43-Q47 PolarHBondContact O-OE1 2.97Å | ||
| 44 | W | 78.5 | Confident | 80.7 | Confident | 161 Ų | 161 | 106.1 Ų | 106.1 | 61% | 0.61 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.9 | 178.2 | -66.3 | 108.2 | 0 | 0 | 0 | 113.3 | Q42 K46 Q47 E48 | Q42-W44 HydrophobicContact CB-CZ2 4.28Å; Q42-W44 PolarHBondContact O-N 3.43Å; Q42-W44 PolarHBondContact O-NE1 3.48Å; W44-K46 PolarHBondContact O-N 2.98Å; W44-K46 VanDerWaalsContact O-N 3.16Å; W44-Q47 PolarHBondContact O-N 3.43Å; W44-Q47 VanDerWaalsContact O-N 3.07Å; W44-E48 WeakPolarHBondContact O-CB 3.41Å; W44-E48 PolarHBondContact O-N 2.94Å |
| 45 | S | 85.3 | Confident | 81.3 | Confident | 77 Ų | 77 | 111.1 Ų | 111.1 | 54% | 0.538 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -51.3 | -37.4 | 177.7 | 173.6 | 0 | 0 | 0 | 0 | 113.1 | N43 E48 Q49 | N43-S45 PolarHBondContact O-N 3Å; N43-S45 VanDerWaalsContact O-N 3.13Å; S45-E48 PolarHBondContact O-N 2.82Å; S45-Q49 WeakPolarHBondContact O-CB 3.43Å; S45-Q49 PolarHBondContact O-N 2.98Å |
| 46 | K | 86 | Confident | 82 | Confident | 165 Ų | 165 | 106.9 Ų | 106.9 | 72% | 0.717 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.2 | -46 | 177.2 | -70.5 | -173.7 | 179.5 | -177.3 | 0 | 112.1 | W44 E48 Q49 T50 | W44-K46 PolarHBondContact O-N 2.98Å; W44-K46 VanDerWaalsContact O-N 3.16Å; K46-E48 VanDerWaalsContact C-N 3.3Å; K46-E48 PolarHBondContact O-N 3.5Å; K46-Q49 PolarHBondContact O-N 2.92Å; K46-T50 WeakPolarHBondContact O-CG2 3.4Å; K46-T50 PolarHBondContact O-N 2.88Å; K46-T50 VanDerWaalsContact O-N 3.07Å |
| 47 | Q | 86.7 | Confident | 82.9 | Confident | 89 Ų | 89 | 104.7 Ų | 104.7 | 42% | 0.416 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 175.3 | -71.3 | 100.8 | -17.7 | 0 | 0 | 111.2 | N43 W44 Q49 T50 V51 | N43-Q47 PolarHBondContact O-OE1 2.97Å; W44-Q47 PolarHBondContact O-N 3.43Å; W44-Q47 VanDerWaalsContact O-N 3.07Å; Q47-Q49 VanDerWaalsContact C-N 3.34Å; Q47-Q49 PolarHBondContact O-N 3.2Å; Q47-T50 WeakPolarHBondContact CA-OG1 3.28Å; Q47-T50 PolarHBondContact O-N 3.48Å; Q47-T50 PolarHBondContact O-OG1 2.83Å; Q47-V51 WeakPolarHBondContact O-CG2 3.3Å; Q47-V51 PolarHBondContact O-N 3.37Å |
| 48 | E | 90.6 | Very high | 84 | Confident | 108 Ų | 108 | 106.4 Ų | 106.4 | 51% | 0.505 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 178.3 | -155.8 | -165.8 | 131.9 | 0 | 0 | 112.3 | W44 S45 K46 V51 R52 | W44-E48 WeakPolarHBondContact O-CB 3.41Å; W44-E48 PolarHBondContact O-N 2.94Å; S45-E48 PolarHBondContact O-N 2.82Å; K46-E48 VanDerWaalsContact C-N 3.3Å; K46-E48 PolarHBondContact O-N 3.5Å; E48-V51 PolarHBondContact O-N 3.41Å; E48-R52 VanDerWaalsContact CD-NH2 3.32Å; E48-R52 PolarHBondContact O-N 2.9Å; E48-R52 IonicContact OE1-CZ 3.97Å; E48-R52 IonicContact OE1-NE 3.97Å; E48-R52 PolarHBondContact OE1-NE 2.78Å; E48-R52 IonicContact OE1-NH2 3.58Å; E48-R52 PolarHBondContact OE1-NH2 3.06Å; E48-R52 IonicContact OE2-NH2 2.98Å |
| 49 | Q | 94.1 | Very high | 85.4 | Confident | 87 Ų | 87 | 106.8 Ų | 106.8 | 41% | 0.407 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 172.5 | -166.8 | 67.9 | 35.8 | 0 | 0 | 110.8 | S45 K46 Q47 V51 R52 D53 | S45-Q49 WeakPolarHBondContact O-CB 3.43Å; S45-Q49 PolarHBondContact O-N 2.98Å; K46-Q49 PolarHBondContact O-N 2.92Å; Q47-Q49 VanDerWaalsContact C-N 3.34Å; Q47-Q49 PolarHBondContact O-N 3.2Å; Q49-V51 VanDerWaalsContact C-N 3.29Å; Q49-V51 PolarHBondContact O-N 3.32Å; Q49-R52 WeakPolarHBondContact O-CB 3.44Å; Q49-R52 PolarHBondContact O-N 3.21Å; Q49-R52 VanDerWaalsContact O-N 3.09Å; Q49-D53 PolarHBondContact NE2-OD1 3.46Å; Q49-D53 PolarHBondContact O-N 2.99Å |
| 50 | T | 93.9 | Very high | 87.2 | Confident | 76 Ų | 76 | 107.2 Ų | 107.2 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 178.4 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | K46 Q47 D53 L54 | K46-T50 WeakPolarHBondContact O-CG2 3.4Å; K46-T50 PolarHBondContact O-N 2.88Å; K46-T50 VanDerWaalsContact O-N 3.07Å; Q47-T50 WeakPolarHBondContact CA-OG1 3.28Å; Q47-T50 PolarHBondContact O-N 3.48Å; Q47-T50 PolarHBondContact O-OG1 2.83Å; T50-D53 PolarHBondContact O-N 3.38Å; T50-L54 WeakPolarHBondContact O-CB 3.46Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.27Å; T50-L54 PolarHBondContact O-N 3.42Å |
| 51 | V | 95.7 | Very high | 89.1 | Confident | 64 Ų | 64 | 103.1 Ų | 103.1 | 39% | 0.388 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | Q47 E48 Q49 R55 | Q47-V51 WeakPolarHBondContact O-CG2 3.3Å; Q47-V51 PolarHBondContact O-N 3.37Å; E48-V51 PolarHBondContact O-N 3.41Å; Q49-V51 VanDerWaalsContact C-N 3.29Å; Q49-V51 PolarHBondContact O-N 3.32Å; V51-R55 WeakPolarHBondContact O-CB 3.04Å; V51-R55 VanDerWaalsContact O-CG 3.24Å; V51-R55 WeakPolarHBondContact O-CG 3.29Å; V51-R55 PolarHBondContact O-N 2.9Å |
| 52 | R | 97.1 | Very high | 90.9 | Very high | 104 Ų | 104 | 104.5 Ų | 104.5 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 174.3 | -86 | -173.8 | -99.9 | 111.4 | -3.6 | 111.7 | E48 Q49 R55 S56 | E48-R52 VanDerWaalsContact CD-NH2 3.32Å; E48-R52 PolarHBondContact O-N 2.9Å; E48-R52 IonicContact OE1-CZ 3.97Å; E48-R52 IonicContact OE1-NE 3.97Å; E48-R52 PolarHBondContact OE1-NE 2.78Å; E48-R52 IonicContact OE1-NH2 3.58Å; E48-R52 PolarHBondContact OE1-NH2 3.06Å; E48-R52 IonicContact OE2-NH2 2.98Å; Q49-R52 WeakPolarHBondContact O-CB 3.44Å; Q49-R52 PolarHBondContact O-N 3.21Å; Q49-R52 VanDerWaalsContact O-N 3.09Å; R52-R55 PolarHBondContact O-N 2.95Å; R52-S56 PolarHBondContact O-N 3.29Å |
| 53 | D | 97.3 | Very high | 92.6 | Very high | 75 Ų | 75 | 105 Ų | 105 | 40% | 0.401 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 179.6 | -60.4 | -16.5 | 0 | 0 | 0 | 111 | Q49 T50 R55 S56 Q57 | Q49-D53 PolarHBondContact NE2-OD1 3.46Å; Q49-D53 PolarHBondContact O-N 2.99Å; T50-D53 PolarHBondContact O-N 3.38Å; D53-R55 PolarHBondContact O-N 3.44Å; D53-S56 WeakPolarHBondContact O-CB 3.45Å; D53-S56 PolarHBondContact O-N 3.16Å; D53-Q57 WeakPolarHBondContact O-CG 3.34Å; D53-Q57 PolarHBondContact O-N 2.92Å |
| 54 | L | 97.3 | Very high | 94.1 | Very high | 98 Ų | 98 | 103.8 Ų | 103.8 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.5 | -73.8 | 171.9 | 0 | 0 | 0 | 112.2 | T50 S56 Q57 I58 | T50-L54 WeakPolarHBondContact O-CB 3.46Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.27Å; T50-L54 PolarHBondContact O-N 3.42Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-Q57 PolarHBondContact O-N 3.23Å; L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.25Å; L54-I58 PolarHBondContact O-N 3.29Å |
| 55 | R | 97.4 | Very high | 94.9 | Very high | 167 Ų | 167 | 101.2 Ų | 101.2 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | 175.2 | -77 | 173.5 | 177.6 | -177.3 | 0.4 | 111.8 | V51 R52 D53 I58 C59 | V51-R55 WeakPolarHBondContact O-CB 3.04Å; V51-R55 VanDerWaalsContact O-CG 3.24Å; V51-R55 WeakPolarHBondContact O-CG 3.29Å; V51-R55 PolarHBondContact O-N 2.9Å; R52-R55 PolarHBondContact O-N 2.95Å; D53-R55 PolarHBondContact O-N 3.44Å; R55-I58 PolarHBondContact O-N 2.9Å; R55-C59 PolarHBondContact O-N 3.19Å; R55-C59 PolarHBondContact O-SG 2.93Å; R55-C59 VanDerWaalsContact O-SG 3.37Å |
| 56 | S | 97.6 | Very high | 95.4 | Very high | 63 Ų | 63 | 100.1 Ų | 100.1 | 44% | 0.441 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 174.7 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | R52 D53 L54 I58 C59 D60 | R52-S56 PolarHBondContact O-N 3.29Å; D53-S56 WeakPolarHBondContact O-CB 3.45Å; D53-S56 PolarHBondContact O-N 3.16Å; L54-S56 VanDerWaalsContact C-N 3.33Å; S56-I58 VanDerWaalsContact C-N 3.3Å; S56-I58 PolarHBondContact O-N 3.16Å; S56-C59 WeakPolarHBondContact O-CA 3.39Å; S56-C59 WeakPolarHBondContact O-CB 3.49Å; S56-C59 PolarHBondContact O-N 3.22Å; S56-D60 VanDerWaalsContact O-CG 3.26Å; S56-D60 PolarHBondContact O-N 3.49Å |
| 57 | Q | 98 | Very high | 95.9 | Very high | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 178.8 | -69.9 | 173.4 | 23.1 | 0 | 0 | 112.4 | D53 L54 D60 L61 | D53-Q57 WeakPolarHBondContact O-CG 3.34Å; D53-Q57 PolarHBondContact O-N 2.92Å; L54-Q57 PolarHBondContact O-N 3.23Å; Q57-D60 PolarHBondContact O-N 3.13Å; Q57-L61 WeakPolarHBondContact O-CB 3.04Å; Q57-L61 VanDerWaalsContact O-CG 3.31Å; Q57-L61 WeakPolarHBondContact O-CG 3.28Å; Q57-L61 PolarHBondContact O-N 3.48Å |
| 58 | I | 97.3 | Very high | 96.3 | Very high | 96 Ų | 96 | 98.1 Ų | 98.1 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.5 | -69.5 | 165.4 | 0 | 0 | 0 | 110.7 | L54 R55 S56 L61 L62 | L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.25Å; L54-I58 PolarHBondContact O-N 3.29Å; R55-I58 PolarHBondContact O-N 2.9Å; S56-I58 VanDerWaalsContact C-N 3.3Å; S56-I58 PolarHBondContact O-N 3.16Å; I58-L61 PolarHBondContact O-N 3.07Å; I58-L62 HydrophobicContact CG2-CD1 3.87Å; I58-L62 HydrophobicContact CG2-CG 4.36Å; I58-L62 WeakPolarHBondContact O-CB 3.35Å; I58-L62 VanDerWaalsContact O-CG 3.23Å; I58-L62 WeakPolarHBondContact O-CG 3.45Å; I58-L62 PolarHBondContact O-N 2.84Å |
| 59 | C | 97.2 | Very high | 96.5 | Very high | 73 Ų | 73 | 95.1 Ų | 95.1 | 49% | 0.493 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.3 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | R55 S56 L62 M63 | R55-C59 PolarHBondContact O-N 3.19Å; R55-C59 PolarHBondContact O-SG 2.93Å; R55-C59 VanDerWaalsContact O-SG 3.37Å; S56-C59 WeakPolarHBondContact O-CA 3.39Å; S56-C59 WeakPolarHBondContact O-CB 3.49Å; S56-C59 PolarHBondContact O-N 3.22Å; C59-L62 PolarHBondContact O-N 2.98Å; C59-M63 WeakPolarHBondContact O-CG 3.49Å; C59-M63 PolarHBondContact O-N 3.49Å |
| 60 | D | 97.4 | Very high | 96.6 | Very high | 95 Ų | 95 | 97 Ų | 97 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 178.8 | -62.9 | -30.4 | 0 | 0 | 0 | 111.1 | S56 Q57 L62 M63 E64 | S56-D60 VanDerWaalsContact O-CG 3.26Å; S56-D60 PolarHBondContact O-N 3.49Å; Q57-D60 PolarHBondContact O-N 3.13Å; D60-L62 VanDerWaalsContact C-N 3.32Å; D60-L62 PolarHBondContact O-N 3.07Å; D60-M63 PolarHBondContact O-N 3.16Å; D60-E64 PolarHBondContact O-N 3.47Å |
| 61 | L | 97.4 | Very high | 96.7 | Very high | 108 Ų | 108 | 98 Ų | 98 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -36.9 | 176 | -72.8 | 172 | 0 | 0 | 0 | 112.5 | Q57 I58 N65 | Q57-L61 WeakPolarHBondContact O-CB 3.04Å; Q57-L61 VanDerWaalsContact O-CG 3.31Å; Q57-L61 WeakPolarHBondContact O-CG 3.28Å; Q57-L61 PolarHBondContact O-N 3.48Å; I58-L61 PolarHBondContact O-N 3.07Å; L61-N65 WeakPolarHBondContact O-CB 3.49Å; L61-N65 PolarHBondContact O-N 3.47Å |
| 62 | L | 96.8 | Very high | 96.5 | Very high | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.3 | -41.1 | 175.4 | -77.8 | 170.3 | 0 | 0 | 0 | 111.6 | I58 C59 D60 A66 | I58-L62 HydrophobicContact CG2-CD1 3.87Å; I58-L62 HydrophobicContact CG2-CG 4.36Å; I58-L62 WeakPolarHBondContact O-CB 3.35Å; I58-L62 VanDerWaalsContact O-CG 3.23Å; I58-L62 WeakPolarHBondContact O-CG 3.45Å; I58-L62 PolarHBondContact O-N 2.84Å; C59-L62 PolarHBondContact O-N 2.98Å; D60-L62 VanDerWaalsContact C-N 3.32Å; D60-L62 PolarHBondContact O-N 3.07Å; L62-A66 WeakPolarHBondContact O-CB 3.4Å; L62-A66 PolarHBondContact O-N 3.24Å |
| 63 | M | 97.3 | Very high | 96.4 | Very high | 142 Ų | 142 | 97.1 Ų | 97.1 | 70% | 0.7 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | 175.4 | -71.4 | -162.3 | 82.5 | 0 | 0 | 111.6 | C59 D60 A66 Q67 | C59-M63 WeakPolarHBondContact O-CG 3.49Å; C59-M63 PolarHBondContact O-N 3.49Å; D60-M63 PolarHBondContact O-N 3.16Å; M63-A66 PolarHBondContact O-N 2.73Å; M63-Q67 WeakPolarHBondContact O-CB 3.48Å; M63-Q67 PolarHBondContact O-N 3.49Å |
| 64 | E | 97.7 | Very high | 96.3 | Very high | 109 Ų | 109 | 97.5 Ų | 97.5 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 176.6 | -171.7 | 176.5 | -169.9 | 0 | 0 | 111.3 | D60 A66 Q67 L68 | D60-E64 PolarHBondContact O-N 3.47Å; E64-A66 PolarHBondContact O-N 2.9Å; E64-Q67 WeakPolarHBondContact O-CB 3.28Å; E64-Q67 PolarHBondContact O-N 3.39Å; E64-Q67 VanDerWaalsContact O-N 3.17Å; E64-L68 HydrophobicContact CG-CD1 4.34Å; E64-L68 WeakPolarHBondContact O-CG 3.38Å; E64-L68 PolarHBondContact O-N 3.31Å |
| 65 | N | 96 | Very high | 96 | Very high | 107 Ų | 107 | 98.2 Ų | 98.2 | 57% | 0.572 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 176.4 | -165.6 | -31.6 | 0 | 0 | 0 | 111.6 | L61 Q67 L68 A69 | L61-N65 WeakPolarHBondContact O-CB 3.49Å; L61-N65 PolarHBondContact O-N 3.47Å; N65-Q67 VanDerWaalsContact C-N 3.29Å; N65-Q67 PolarHBondContact O-N 3Å; N65-L68 PolarHBondContact O-N 3.46Å; N65-A69 WeakPolarHBondContact O-CB 3.29Å; N65-A69 PolarHBondContact O-N 3.17Å |
| 66 | A | 94.9 | Very high | 95.8 | Very high | 53 Ų | 53 | 98 Ų | 98 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L62 M63 E64 A69 L70 | L62-A66 WeakPolarHBondContact O-CB 3.4Å; L62-A66 PolarHBondContact O-N 3.24Å; M63-A66 PolarHBondContact O-N 2.73Å; E64-A66 PolarHBondContact O-N 2.9Å; A66-A69 PolarHBondContact O-N 3.26Å; A66-L70 WeakPolarHBondContact O-CG 3.41Å; A66-L70 PolarHBondContact O-N 3.45Å |
| 67 | Q | 97.3 | Very high | 95.5 | Very high | 118 Ų | 118 | 98.8 Ų | 98.8 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.3 | -43.4 | 176.4 | -173.9 | 174.9 | -2.6 | 0 | 0 | 112 | M63 E64 N65 A69 L70 Q71 | M63-Q67 WeakPolarHBondContact O-CB 3.48Å; M63-Q67 PolarHBondContact O-N 3.49Å; E64-Q67 WeakPolarHBondContact O-CB 3.28Å; E64-Q67 PolarHBondContact O-N 3.39Å; E64-Q67 VanDerWaalsContact O-N 3.17Å; N65-Q67 VanDerWaalsContact C-N 3.29Å; N65-Q67 PolarHBondContact O-N 3Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; Q67-L70 PolarHBondContact O-N 2.85Å; Q67-Q71 WeakPolarHBondContact O-CG 3.39Å; Q67-Q71 PolarHBondContact O-N 3.45Å |
| 68 | L | 94.4 | Very high | 95.3 | Very high | 95 Ų | 95 | 100.1 Ų | 100.1 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 175.3 | -71.4 | 172.3 | 0 | 0 | 0 | 111.8 | E64 N65 Q71 S72 | E64-L68 HydrophobicContact CG-CD1 4.34Å; E64-L68 WeakPolarHBondContact O-CG 3.38Å; E64-L68 PolarHBondContact O-N 3.31Å; N65-L68 PolarHBondContact O-N 3.46Å; L68-Q71 PolarHBondContact O-N 3.23Å; L68-S72 WeakPolarHBondContact O-CB 3.5Å; L68-S72 PolarHBondContact O-N 3.31Å |
| 69 | A | 93.8 | Very high | 95 | Very high | 45 Ų | 45 | 97.8 Ų | 97.8 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N65 A66 Q67 Q71 S72 D73 | N65-A69 WeakPolarHBondContact O-CB 3.29Å; N65-A69 PolarHBondContact O-N 3.17Å; A66-A69 PolarHBondContact O-N 3.26Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; A69-Q71 PolarHBondContact O-N 3.44Å; A69-S72 WeakPolarHBondContact O-CB 3.46Å; A69-S72 PolarHBondContact O-N 3.15Å; A69-D73 PolarHBondContact O-N 2.96Å |
| 70 | L | 96.3 | Very high | 94.7 | Very high | 125 Ų | 125 | 96.8 Ų | 96.8 | 65% | 0.654 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 175.6 | -71.7 | 172.1 | 0 | 0 | 0 | 112.3 | A66 Q67 D73 D74 | A66-L70 WeakPolarHBondContact O-CG 3.41Å; A66-L70 PolarHBondContact O-N 3.45Å; Q67-L70 PolarHBondContact O-N 2.85Å; L70-D73 PolarHBondContact O-N 3.03Å; L70-D74 PolarHBondContact O-N 2.86Å |
| 71 | Q | 95.8 | Very high | 94.6 | Very high | 97 Ų | 97 | 95.1 Ų | 95.1 | 45% | 0.453 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 175.4 | -73.3 | 179 | -7.5 | 0 | 0 | 112 | Q67 L68 A69 D74 M75 | Q67-Q71 WeakPolarHBondContact O-CG 3.39Å; Q67-Q71 PolarHBondContact O-N 3.45Å; L68-Q71 PolarHBondContact O-N 3.23Å; A69-Q71 PolarHBondContact O-N 3.44Å; Q71-D74 PolarHBondContact O-N 2.86Å; Q71-M75 WeakPolarHBondContact O-CB 3.37Å; Q71-M75 VanDerWaalsContact O-CG 3.23Å; Q71-M75 WeakPolarHBondContact O-CG 3.47Å; Q71-M75 PolarHBondContact O-N 2.65Å |
| 72 | S | 93.3 | Very high | 94.4 | Very high | 65 Ų | 65 | 94.4 Ų | 94.4 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | L68 A69 M75 R76 | L68-S72 WeakPolarHBondContact O-CB 3.5Å; L68-S72 PolarHBondContact O-N 3.31Å; A69-S72 WeakPolarHBondContact O-CB 3.46Å; A69-S72 PolarHBondContact O-N 3.15Å; S72-M75 PolarHBondContact O-N 2.96Å; S72-R76 WeakPolarHBondContact O-CB 3.43Å; S72-R76 PolarHBondContact O-N 2.88Å |
| 73 | D | 95.2 | Very high | 94.2 | Very high | 85 Ų | 85 | 95.7 Ų | 95.7 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 177.2 | -76.6 | -23.2 | 0 | 0 | 0 | 112.4 | A69 L70 R76 S77 | A69-D73 PolarHBondContact O-N 2.96Å; L70-D73 PolarHBondContact O-N 3.03Å; D73-R76 PolarHBondContact O-N 3.31Å; D73-R76 IonicContact OD1-NH1 3.39Å; D73-R76 PolarHBondContact OD1-NH1 3.3Å; D73-S77 WeakPolarHBondContact O-CB 3.47Å; D73-S77 PolarHBondContact O-N 2.98Å |
| 74 | D | 94.8 | Very high | 93.9 | Very high | 84 Ų | 84 | 91.4 Ų | 91.4 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 173.2 | -176.4 | 55 | 0 | 0 | 0 | 111.6 | L70 Q71 R76 S77 R78 | L70-D74 PolarHBondContact O-N 2.86Å; Q71-D74 PolarHBondContact O-N 2.86Å; D74-R76 VanDerWaalsContact C-N 3.31Å; D74-R76 PolarHBondContact O-N 3.4Å; D74-S77 PolarHBondContact O-N 3.35Å; D74-R78 WeakPolarHBondContact O-CB 3.43Å; D74-R78 WeakPolarHBondContact O-CG 3.38Å; D74-R78 PolarHBondContact O-N 3.45Å |
| 75 | M | 90.8 | Very high | 93.7 | Very high | 112 Ų | 112 | 94.7 Ų | 94.7 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.5 | -40.2 | 176.9 | -68.3 | -63.1 | -178.8 | 0 | 0 | 111.7 | Q71 S72 R78 A79 | Q71-M75 WeakPolarHBondContact O-CB 3.37Å; Q71-M75 VanDerWaalsContact O-CG 3.23Å; Q71-M75 WeakPolarHBondContact O-CG 3.47Å; Q71-M75 PolarHBondContact O-N 2.65Å; S72-M75 PolarHBondContact O-N 2.96Å; M75-R78 PolarHBondContact O-N 3.4Å; M75-A79 WeakPolarHBondContact O-CB 3.5Å; M75-A79 PolarHBondContact O-N 3.44Å |
| 76 | R | 92.4 | Very high | 93.5 | Very high | 163 Ų | 163 | 93.2 Ų | 93.2 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 175.4 | -173.6 | -175.5 | -72.1 | 146.2 | -6.9 | 111.6 | S72 D73 D74 A79 A80 | S72-R76 WeakPolarHBondContact O-CB 3.43Å; S72-R76 PolarHBondContact O-N 2.88Å; D73-R76 PolarHBondContact O-N 3.31Å; D73-R76 IonicContact OD1-NH1 3.39Å; D73-R76 PolarHBondContact OD1-NH1 3.3Å; D74-R76 VanDerWaalsContact C-N 3.31Å; D74-R76 PolarHBondContact O-N 3.4Å; R76-A79 PolarHBondContact O-N 3.25Å; R76-A80 PolarHBondContact O-N 2.96Å |
| 77 | S | 92.4 | Very high | 93.5 | Very high | 79 Ų | 79 | 96.8 Ų | 96.8 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 176.4 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | D73 D74 A79 A80 A81 | D73-S77 WeakPolarHBondContact O-CB 3.47Å; D73-S77 PolarHBondContact O-N 2.98Å; D74-S77 PolarHBondContact O-N 3.35Å; S77-A79 PolarHBondContact O-N 3.09Å; S77-A80 PolarHBondContact O-N 2.7Å; S77-A81 PolarHBondContact O-N 2.95Å |
| 78 | R | 92.5 | Very high | 93.3 | Very high | 140 Ų | 140 | 95.8 Ų | 95.8 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.5 | -72.3 | 175.4 | 61.6 | -178.8 | -2.3 | 112.4 | D74 M75 A81 I82 | D74-R78 WeakPolarHBondContact O-CB 3.43Å; D74-R78 WeakPolarHBondContact O-CG 3.38Å; D74-R78 PolarHBondContact O-N 3.45Å; M75-R78 PolarHBondContact O-N 3.4Å; R78-A81 PolarHBondContact O-N 2.94Å; R78-I82 WeakPolarHBondContact O-CG1 3.36Å; R78-I82 PolarHBondContact O-N 2.82Å |
| 79 | A | 90.6 | Very high | 93.2 | Very high | 48 Ų | 48 | 97 Ų | 97 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | M75 R76 S77 A81 I82 Q83 | M75-A79 WeakPolarHBondContact O-CB 3.5Å; M75-A79 PolarHBondContact O-N 3.44Å; R76-A79 PolarHBondContact O-N 3.25Å; S77-A79 PolarHBondContact O-N 3.09Å; A79-A81 VanDerWaalsContact C-N 3.34Å; A79-A81 PolarHBondContact O-N 3.49Å; A79-I82 PolarHBondContact O-N 3.22Å; A79-Q83 WeakPolarHBondContact O-CG 3.24Å; A79-Q83 PolarHBondContact O-N 2.86Å |
| 80 | A | 92.7 | Very high | 93.1 | Very high | 51 Ų | 51 | 100.6 Ų | 100.6 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R76 S77 I82 Q83 A84 | R76-A80 PolarHBondContact O-N 2.96Å; S77-A80 PolarHBondContact O-N 2.7Å; A80-I82 PolarHBondContact O-N 3.38Å; A80-Q83 PolarHBondContact O-N 3.25Å; A80-A84 WeakPolarHBondContact O-CB 3.35Å; A80-A84 PolarHBondContact O-N 3.31Å |
| 81 | A | 94.4 | Very high | 93 | Very high | 61 Ų | 61 | 98.6 Ų | 98.6 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S77 R78 A79 R85 | S77-A81 PolarHBondContact O-N 2.95Å; R78-A81 PolarHBondContact O-N 2.94Å; A79-A81 VanDerWaalsContact C-N 3.34Å; A79-A81 PolarHBondContact O-N 3.49Å; A81-R85 WeakPolarHBondContact O-CB 3.32Å; A81-R85 PolarHBondContact O-N 3.29Å |
| 82 | I | 92.4 | Very high | 92.8 | Very high | 92 Ų | 92 | 98 Ų | 98 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 175.3 | -68.3 | 165.8 | 0 | 0 | 0 | 110.6 | R78 A79 A80 A84 R85 N86 | R78-I82 WeakPolarHBondContact O-CG1 3.36Å; R78-I82 PolarHBondContact O-N 2.82Å; A79-I82 PolarHBondContact O-N 3.22Å; A80-I82 PolarHBondContact O-N 3.38Å; I82-A84 PolarHBondContact O-N 2.97Å; I82-R85 PolarHBondContact O-N 3.5Å; I82-N86 VanDerWaalsContact O-CG 3.26Å; I82-N86 PolarHBondContact O-N 3.16Å; I82-N86 PolarHBondContact O-OD1 3.45Å |
| 83 | Q | 93.9 | Very high | 92.8 | Very high | 139 Ų | 139 | 99.5 Ų | 99.5 | 65% | 0.65 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.6 | -47.4 | 176.8 | -74.9 | 177.8 | -8.4 | 0 | 0 | 111.7 | A79 A80 R85 N86 F87 | A79-Q83 WeakPolarHBondContact O-CG 3.24Å; A79-Q83 PolarHBondContact O-N 2.86Å; A80-Q83 PolarHBondContact O-N 3.25Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.19Å; Q83-N86 PolarHBondContact O-N 3.01Å; Q83-F87 WeakPolarHBondContact O-CB 2.8Å; Q83-F87 PolarHBondContact O-N 2.88Å |
| 84 | A | 91.5 | Very high | 92.6 | Very high | 52 Ų | 52 | 99.7 Ų | 99.7 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A80 I82 F87 I88 | A80-A84 WeakPolarHBondContact O-CB 3.35Å; A80-A84 PolarHBondContact O-N 3.31Å; I82-A84 PolarHBondContact O-N 2.97Å; A84-F87 PolarHBondContact O-N 3.48Å; A84-I88 VanDerWaalsContact O-CG1 3.3Å; A84-I88 WeakPolarHBondContact O-CG1 3.41Å; A84-I88 PolarHBondContact O-N 2.88Å |
| 85 | R | 92.4 | Very high | 92.6 | Very high | 178 Ų | 178 | 99.3 Ų | 99.3 | 67% | 0.672 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 177.3 | -167.2 | -179.8 | 82.2 | 168.2 | 5.4 | 112.1 | A81 I82 Q83 I88 H89 | A81-R85 WeakPolarHBondContact O-CB 3.32Å; A81-R85 PolarHBondContact O-N 3.29Å; I82-R85 PolarHBondContact O-N 3.5Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.19Å; R85-I88 PolarHBondContact O-N 2.93Å; R85-H89 WeakPolarHBondContact O-CB 3.4Å; R85-H89 PolarHBondContact O-N 3.3Å |
| 86 | N | 92 | Very high | 92.6 | Very high | 76 Ų | 76 | 100 Ų | 100 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 178.7 | -70.3 | -6.3 | 0 | 0 | 0 | 111 | I82 Q83 I88 H89 E90 | I82-N86 VanDerWaalsContact O-CG 3.26Å; I82-N86 PolarHBondContact O-N 3.16Å; I82-N86 PolarHBondContact O-OD1 3.45Å; Q83-N86 PolarHBondContact O-N 3.01Å; N86-I88 VanDerWaalsContact C-N 3.35Å; N86-I88 PolarHBondContact O-N 2.88Å; N86-H89 WeakPolarHBondContact O-CB 3.45Å; N86-H89 PolarHBondContact O-N 2.95Å; N86-H89 VanDerWaalsContact O-N 3.12Å; N86-E90 WeakPolarHBondContact O-CG 3.42Å; N86-E90 PolarHBondContact O-N 3.46Å |
| 87 | F | 94 | Very high | 92.7 | Very high | 128 Ų | 128 | 95.1 Ų | 95.1 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.2 | -45 | 175.7 | -177.8 | -105.8 | 0 | 0 | 0 | 112.2 | Q83 A84 H89 E90 L91 | Q83-F87 WeakPolarHBondContact O-CB 2.8Å; Q83-F87 PolarHBondContact O-N 2.88Å; A84-F87 PolarHBondContact O-N 3.48Å; F87-H89 VanDerWaalsContact C-N 3.33Å; F87-H89 PolarHBondContact O-N 3.15Å; F87-E90 PolarHBondContact O-N 3.2Å; F87-L91 HydrophobicContact CD1-CD1 3.79Å; F87-L91 HydrophobicContact CE1-CD1 3.31Å; F87-L91 HydrophobicContact CE1-CG 4.34Å; F87-L91 HydrophobicContact CE2-CD1 4.45Å; F87-L91 HydrophobicContact CZ-CD1 3.7Å; F87-L91 HydrophobicContact CZ-CG 4.35Å; F87-L91 WeakPolarHBondContact O-CB 3.5Å; F87-L91 PolarHBondContact O-N 2.89Å |
| 88 | I | 93.9 | Very high | 92.7 | Very high | 96 Ų | 96 | 97.1 Ų | 97.1 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 175.1 | -68.3 | 165.9 | 0 | 0 | 0 | 111 | A84 R85 N86 L91 N92 | A84-I88 VanDerWaalsContact O-CG1 3.3Å; A84-I88 WeakPolarHBondContact O-CG1 3.41Å; A84-I88 PolarHBondContact O-N 2.88Å; R85-I88 PolarHBondContact O-N 2.93Å; N86-I88 VanDerWaalsContact C-N 3.35Å; N86-I88 PolarHBondContact O-N 2.88Å; I88-L91 PolarHBondContact O-N 3.38Å; I88-N92 WeakPolarHBondContact O-CB 3.37Å; I88-N92 VanDerWaalsContact O-CG 3.32Å; I88-N92 PolarHBondContact O-N 3.06Å; I88-N92 PolarHBondContact O-ND2 3.36Å |
| 89 | H | 92.4 | Very high | 92.8 | Very high | 122 Ų | 122 | 93 Ų | 93 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -45.3 | 178.6 | -177.2 | 66.8 | 0 | 0 | 0 | 112.1 | R85 N86 F87 N92 L93 | R85-H89 WeakPolarHBondContact O-CB 3.4Å; R85-H89 PolarHBondContact O-N 3.3Å; N86-H89 WeakPolarHBondContact O-CB 3.45Å; N86-H89 PolarHBondContact O-N 2.95Å; N86-H89 VanDerWaalsContact O-N 3.12Å; F87-H89 VanDerWaalsContact C-N 3.33Å; F87-H89 PolarHBondContact O-N 3.15Å; H89-N92 PolarHBondContact O-N 3.33Å; H89-L93 WeakPolarHBondContact O-CB 3.42Å; H89-L93 PolarHBondContact O-N 3Å |
| 90 | E | 92.3 | Very high | 93 | Very high | 119 Ų | 119 | 92.1 Ų | 92.1 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | 175.4 | -74.3 | 176.4 | -175.5 | 0 | 0 | 111.8 | N86 F87 N92 L93 N94 | N86-E90 WeakPolarHBondContact O-CG 3.42Å; N86-E90 PolarHBondContact O-N 3.46Å; F87-E90 PolarHBondContact O-N 3.2Å; E90-N92 PolarHBondContact O-N 2.96Å; E90-L93 PolarHBondContact O-N 3.47Å; E90-N94 WeakPolarHBondContact O-CB 3.48Å; E90-N94 VanDerWaalsContact O-CG 3.3Å; E90-N94 PolarHBondContact O-N 3.44Å; E90-N94 PolarHBondContact O-ND2 2.79Å |
| 91 | L | 92.5 | Very high | 93.1 | Very high | 83 Ų | 83 | 95.7 Ų | 95.7 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 173.8 | -87.5 | 168.5 | 0 | 0 | 0 | 111.7 | F87 I88 L93 N94 V95 | F87-L91 HydrophobicContact CD1-CD1 3.79Å; F87-L91 HydrophobicContact CE1-CD1 3.31Å; F87-L91 HydrophobicContact CE1-CG 4.34Å; F87-L91 HydrophobicContact CE2-CD1 4.45Å; F87-L91 HydrophobicContact CZ-CD1 3.7Å; F87-L91 HydrophobicContact CZ-CG 4.35Å; F87-L91 WeakPolarHBondContact O-CB 3.5Å; F87-L91 PolarHBondContact O-N 2.89Å; I88-L91 PolarHBondContact O-N 3.38Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.99Å; L91-N94 PolarHBondContact O-N 2.97Å; L91-V95 WeakPolarHBondContact O-CB 3.4Å; L91-V95 VanDerWaalsContact O-CG2 3.28Å; L91-V95 WeakPolarHBondContact O-CG2 3.5Å; L91-V95 PolarHBondContact O-N 3.28Å |
| 92 | N | 93 | Very high | 93.1 | Very high | 86 Ų | 86 | 99.9 Ų | 99.9 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 178.9 | -76.2 | -29.5 | 0 | 0 | 0 | 112.1 | I88 H89 E90 V95 H96 | I88-N92 WeakPolarHBondContact O-CB 3.37Å; I88-N92 VanDerWaalsContact O-CG 3.32Å; I88-N92 PolarHBondContact O-N 3.06Å; I88-N92 PolarHBondContact O-ND2 3.36Å; H89-N92 PolarHBondContact O-N 3.33Å; E90-N92 PolarHBondContact O-N 2.96Å; N92-V95 PolarHBondContact O-N 3.23Å; N92-H96 WeakPolarHBondContact O-CB 3.41Å; N92-H96 VanDerWaalsContact O-CG 3.32Å; N92-H96 PolarHBondContact O-N 3.28Å |
| 93 | L | 93.2 | Very high | 93.3 | Very high | 95 Ų | 95 | 98.3 Ų | 98.3 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 176 | -174.1 | 68.3 | 0 | 0 | 0 | 110.8 | H89 E90 L91 H96 T97 | H89-L93 WeakPolarHBondContact O-CB 3.42Å; H89-L93 PolarHBondContact O-N 3Å; E90-L93 PolarHBondContact O-N 3.47Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.99Å; L93-H96 PolarHBondContact O-N 2.89Å; L93-T97 WeakPolarHBondContact O-CG2 3.24Å; L93-T97 PolarHBondContact O-N 3.46Å; L93-T97 PolarHBondContact O-OG1 2.9Å |
| 94 | N | 91.4 | Very high | 93.4 | Very high | 90 Ų | 90 | 95.8 Ų | 95.8 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 177.2 | -72.5 | -23.6 | 0 | 0 | 0 | 112.3 | E90 L91 T97 L98 | E90-N94 WeakPolarHBondContact O-CB 3.48Å; E90-N94 VanDerWaalsContact O-CG 3.3Å; E90-N94 PolarHBondContact O-N 3.44Å; E90-N94 PolarHBondContact O-ND2 2.79Å; L91-N94 PolarHBondContact O-N 2.97Å; N94-T97 WeakPolarHBondContact CA-OG1 3.48Å; N94-T97 PolarHBondContact O-OG1 3.3Å; N94-L98 WeakPolarHBondContact O-CB 3.48Å; N94-L98 VanDerWaalsContact O-CG 3.22Å; N94-L98 WeakPolarHBondContact O-CG 3.49Å; N94-L98 PolarHBondContact O-N 3.49Å |
| 95 | V | 93.8 | Very high | 93.5 | Very high | 75 Ų | 75 | 96.7 Ų | 96.7 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 174.5 | 170.4 | 0 | 0 | 0 | 0 | 110 | L91 N92 T97 L98 T99 | L91-V95 WeakPolarHBondContact O-CB 3.4Å; L91-V95 VanDerWaalsContact O-CG2 3.28Å; L91-V95 WeakPolarHBondContact O-CG2 3.5Å; L91-V95 PolarHBondContact O-N 3.28Å; N92-V95 PolarHBondContact O-N 3.23Å; V95-T97 PolarHBondContact O-N 3.25Å; V95-L98 PolarHBondContact O-N 3.34Å; V95-T99 HydrophobicContact CG1-CG2 4.23Å; V95-T99 WeakPolarHBondContact O-CB 3.44Å; V95-T99 VanDerWaalsContact O-CG2 3.29Å; V95-T99 WeakPolarHBondContact O-CG2 3.29Å; V95-T99 PolarHBondContact O-N 3.5Å; V95-T99 PolarHBondContact O-OG1 3.02Å |
| 96 | H | 91.9 | Very high | 93.7 | Very high | 128 Ų | 128 | 93.1 Ų | 93.1 | 59% | 0.593 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.3 | -46.1 | 178.1 | -78.1 | 2.7 | 0 | 0 | 0 | 112.4 | N92 L93 T99 G100 | N92-H96 WeakPolarHBondContact O-CB 3.41Å; N92-H96 VanDerWaalsContact O-CG 3.32Å; N92-H96 PolarHBondContact O-N 3.28Å; L93-H96 PolarHBondContact O-N 2.89Å; H96-T99 WeakPolarHBondContact CA-OG1 3.42Å; H96-T99 PolarHBondContact O-N 3.35Å; H96-T99 PolarHBondContact O-OG1 2.95Å; H96-G100 PolarHBondContact O-N 2.98Å |
| 97 | T | 93.3 | Very high | 93.9 | Very high | 60 Ų | 60 | 94 Ų | 94 | 37% | 0.368 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 177.6 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | L93 N94 V95 T99 G100 F101 | L93-T97 WeakPolarHBondContact O-CG2 3.24Å; L93-T97 PolarHBondContact O-N 3.46Å; L93-T97 PolarHBondContact O-OG1 2.9Å; N94-T97 WeakPolarHBondContact CA-OG1 3.48Å; N94-T97 PolarHBondContact O-OG1 3.3Å; V95-T97 PolarHBondContact O-N 3.25Å; T97-T99 PolarHBondContact O-N 3.01Å; T97-G100 PolarHBondContact O-N 3.39Å; T97-F101 WeakPolarHBondContact O-CD2 3.28Å; T97-F101 WeakPolarHBondContact O-CG 3.43Å; T97-F101 PolarHBondContact O-N 2.84Å |
| 98 | L | 93.3 | Very high | 94 | Very high | 120 Ų | 120 | 94.7 Ų | 94.7 | 63% | 0.628 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 176 | -72.5 | 173.6 | 0 | 0 | 0 | 112.3 | N94 V95 G100 F101 R102 | N94-L98 WeakPolarHBondContact O-CB 3.48Å; N94-L98 VanDerWaalsContact O-CG 3.22Å; N94-L98 WeakPolarHBondContact O-CG 3.49Å; N94-L98 PolarHBondContact O-N 3.49Å; V95-L98 PolarHBondContact O-N 3.34Å; L98-G100 VanDerWaalsContact C-N 3.33Å; L98-F101 PolarHBondContact O-N 2.88Å; L98-R102 WeakPolarHBondContact O-CB 3.39Å; L98-R102 PolarHBondContact O-N 2.94Å |
| 99 | T | 94.1 | Very high | 94 | Very high | 53 Ų | 53 | 93.8 Ų | 93.8 | 33% | 0.325 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 175.5 | 54 | 0 | 0 | 0 | 0 | 111.7 | V95 H96 T97 R102 C103 | V95-T99 HydrophobicContact CG1-CG2 4.23Å; V95-T99 WeakPolarHBondContact O-CB 3.44Å; V95-T99 VanDerWaalsContact O-CG2 3.29Å; V95-T99 WeakPolarHBondContact O-CG2 3.29Å; V95-T99 PolarHBondContact O-N 3.5Å; V95-T99 PolarHBondContact O-OG1 3.02Å; H96-T99 WeakPolarHBondContact CA-OG1 3.42Å; H96-T99 PolarHBondContact O-N 3.35Å; H96-T99 PolarHBondContact O-OG1 2.95Å; T97-T99 PolarHBondContact O-N 3.01Å; T99-R102 PolarHBondContact O-N 3.3Å; T99-C103 PolarHBondContact O-N 3.32Å; T99-C103 PolarHBondContact O-SG 3.3Å; T99-C103 VanDerWaalsContact O-SG 3.35Å |
| 100 | G | 94.9 | Very high | 94.2 | Very high | 30 Ų | 30 | 91.2 Ų | 91.2 | 31% | 0.309 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.8 | -50.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H96 T97 L98 R102 C103 E104 | H96-G100 PolarHBondContact O-N 2.98Å; T97-G100 PolarHBondContact O-N 3.39Å; L98-G100 VanDerWaalsContact C-N 3.33Å; G100-R102 VanDerWaalsContact C-N 3.29Å; G100-R102 PolarHBondContact O-N 3.23Å; G100-C103 PolarHBondContact O-N 3.38Å; G100-E104 WeakPolarHBondContact O-CG 3.46Å; G100-E104 PolarHBondContact O-N 2.96Å |
| 101 | F | 94.6 | Very high | 94.4 | Very high | 127 Ų | 127 | 91.9 Ų | 91.9 | 56% | 0.557 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.3 | -41.3 | 176.1 | -70.6 | -51.9 | 0 | 0 | 0 | 112.4 | T97 L98 E104 T105 | T97-F101 WeakPolarHBondContact O-CD2 3.28Å; T97-F101 WeakPolarHBondContact O-CG 3.43Å; T97-F101 PolarHBondContact O-N 2.84Å; L98-F101 PolarHBondContact O-N 2.88Å; F101-E104 PolarHBondContact O-N 3.37Å; F101-T105 WeakPolarHBondContact O-CG2 3.36Å; F101-T105 PolarHBondContact O-N 3.36Å; F101-T105 PolarHBondContact O-OG1 3.43Å |
| 102 | R | 94.9 | Very high | 94.6 | Very high | 148 Ų | 148 | 95.8 Ų | 95.8 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 177.5 | -164.7 | 178.9 | 70.5 | -160.7 | -1.3 | 112.1 | L98 T99 G100 T105 E106 | L98-R102 WeakPolarHBondContact O-CB 3.39Å; L98-R102 PolarHBondContact O-N 2.94Å; T99-R102 PolarHBondContact O-N 3.3Å; G100-R102 VanDerWaalsContact C-N 3.29Å; G100-R102 PolarHBondContact O-N 3.23Å; R102-T105 PolarHBondContact O-N 2.89Å; R102-T105 PolarHBondContact O-OG1 3Å; R102-E106 IonicContact NE-OE1 2.97Å; R102-E106 WeakPolarHBondContact O-CB 3.37Å; R102-E106 VanDerWaalsContact O-CG 3.31Å; R102-E106 WeakPolarHBondContact O-CG 3.31Å; R102-E106 PolarHBondContact O-N 2.92Å |
| 103 | C | 95.6 | Very high | 94.8 | Very high | 60 Ų | 60 | 96.4 Ų | 96.4 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.5 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | T99 G100 T105 E106 E107 | T99-C103 PolarHBondContact O-N 3.32Å; T99-C103 PolarHBondContact O-SG 3.3Å; T99-C103 VanDerWaalsContact O-SG 3.35Å; G100-C103 PolarHBondContact O-N 3.38Å; C103-T105 VanDerWaalsContact C-N 3.34Å; C103-T105 PolarHBondContact O-N 3.39Å; C103-E106 PolarHBondContact O-N 3.38Å; C103-E107 WeakPolarHBondContact O-CB 3.39Å; C103-E107 WeakPolarHBondContact O-CG 3.46Å; C103-E107 PolarHBondContact O-N 3.48Å |
| 104 | E | 96.6 | Very high | 94.9 | Very high | 85 Ų | 85 | 98.1 Ų | 98.1 | 40% | 0.397 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 178.2 | -66.5 | -176.8 | -174.8 | 0 | 0 | 112.8 | G100 F101 R108 | G100-E104 WeakPolarHBondContact O-CG 3.46Å; G100-E104 PolarHBondContact O-N 2.96Å; F101-E104 PolarHBondContact O-N 3.37Å; E104-R108 WeakPolarHBondContact O-CB 3.49Å; E104-R108 VanDerWaalsContact O-CG 3.24Å; E104-R108 WeakPolarHBondContact O-CG 3.42Å; E104-R108 PolarHBondContact O-N 3.48Å; E104-R108 IonicContact OE2-CZ 2.86Å; E104-R108 IonicContact OE2-NH1 3.58Å; E104-R108 PolarHBondContact OE2-NH1 3.47Å; E104-R108 VanDerWaalsContact OE2-NH1 3.1Å; E104-R108 IonicContact OE2-NH2 3.4Å; E104-R108 PolarHBondContact OE2-NH2 3.34Å |
| 105 | T | 94.6 | Very high | 95.1 | Very high | 71 Ų | 71 | 99.9 Ų | 99.9 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.3 | -41.3 | 175.3 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | F101 R102 C103 R108 T109 | F101-T105 WeakPolarHBondContact O-CG2 3.36Å; F101-T105 PolarHBondContact O-N 3.36Å; F101-T105 PolarHBondContact O-OG1 3.43Å; R102-T105 PolarHBondContact O-N 2.89Å; R102-T105 PolarHBondContact O-OG1 3Å; C103-T105 VanDerWaalsContact C-N 3.34Å; C103-T105 PolarHBondContact O-N 3.39Å; T105-R108 PolarHBondContact O-N 2.92Å; T105-T109 VanDerWaalsContact O-CG2 3.32Å; T105-T109 WeakPolarHBondContact O-CG2 3.43Å; T105-T109 PolarHBondContact O-N 3.49Å; T105-T109 PolarHBondContact O-OG1 2.95Å |
| 106 | E | 95.6 | Very high | 95.3 | Very high | 103 Ų | 103 | 100.4 Ų | 100.4 | 48% | 0.481 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 172.5 | -74.1 | 173 | -174.7 | 0 | 0 | 112 | R102 C103 T109 T110 | R102-E106 IonicContact NE-OE1 2.97Å; R102-E106 WeakPolarHBondContact O-CB 3.37Å; R102-E106 VanDerWaalsContact O-CG 3.31Å; R102-E106 WeakPolarHBondContact O-CG 3.31Å; R102-E106 PolarHBondContact O-N 2.92Å; C103-E106 PolarHBondContact O-N 3.38Å; E106-T109 WeakPolarHBondContact CA-OG1 3.23Å; E106-T109 PolarHBondContact O-N 2.98Å; E106-T109 PolarHBondContact O-OG1 3.39Å; E106-T110 WeakPolarHBondContact O-CB 3.5Å; E106-T110 VanDerWaalsContact O-CG2 3.26Å; E106-T110 WeakPolarHBondContact O-CG2 3.43Å; E106-T110 PolarHBondContact O-N 3.24Å; E106-T110 PolarHBondContact O-OG1 2.94Å |
| 107 | E | 96.2 | Very high | 95.5 | Very high | 96 Ų | 96 | 97.4 Ų | 97.4 | 45% | 0.449 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 174.2 | -79.2 | -172.8 | -162.3 | 0 | 0 | 112.7 | C103 T110 R111 | C103-E107 WeakPolarHBondContact O-CB 3.39Å; C103-E107 WeakPolarHBondContact O-CG 3.46Å; C103-E107 PolarHBondContact O-N 3.48Å; E107-T110 VanDerWaalsContact CA-OG1 3.27Å; E107-T110 WeakPolarHBondContact CA-OG1 3.46Å; E107-T110 PolarHBondContact O-OG1 2.92Å; E107-R111 WeakPolarHBondContact O-CB 3.36Å; E107-R111 VanDerWaalsContact O-CG 3.29Å; E107-R111 WeakPolarHBondContact O-CG 3.46Å; E107-R111 PolarHBondContact O-N 3.25Å; E107-R111 IonicContact OE2-CZ 3.95Å; E107-R111 IonicContact OE2-NH2 3.78Å; E107-R111 PolarHBondContact OE2-NH2 2.96Å |
| 108 | R | 95.4 | Very high | 95.7 | Very high | 142 Ų | 142 | 97 Ų | 97 | 54% | 0.536 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 177.6 | -73 | 174.4 | -168.9 | 110.1 | 2.6 | 111.4 | E104 T105 R112 | E104-R108 WeakPolarHBondContact O-CB 3.49Å; E104-R108 VanDerWaalsContact O-CG 3.24Å; E104-R108 WeakPolarHBondContact O-CG 3.42Å; E104-R108 PolarHBondContact O-N 3.48Å; E104-R108 IonicContact OE2-CZ 2.86Å; E104-R108 IonicContact OE2-NH1 3.58Å; E104-R108 PolarHBondContact OE2-NH1 3.47Å; E104-R108 VanDerWaalsContact OE2-NH1 3.1Å; E104-R108 IonicContact OE2-NH2 3.4Å; E104-R108 PolarHBondContact OE2-NH2 3.34Å; T105-R108 PolarHBondContact O-N 2.92Å; R108-R112 WeakPolarHBondContact O-CB 3.47Å; R108-R112 PolarHBondContact O-N 3.35Å; R108-R112 VanDerWaalsContact O-N 3.1Å |
| 109 | T | 94.7 | Very high | 95.8 | Very high | 77 Ų | 77 | 96.3 Ų | 96.3 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.9 | -42.9 | 179.2 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | T105 E106 R112 L113 | T105-T109 VanDerWaalsContact O-CG2 3.32Å; T105-T109 WeakPolarHBondContact O-CG2 3.43Å; T105-T109 PolarHBondContact O-N 3.49Å; T105-T109 PolarHBondContact O-OG1 2.95Å; E106-T109 WeakPolarHBondContact CA-OG1 3.23Å; E106-T109 PolarHBondContact O-N 2.98Å; E106-T109 PolarHBondContact O-OG1 3.39Å; T109-R112 PolarHBondContact O-N 3.32Å; T109-L113 WeakPolarHBondContact O-CG 3.46Å; T109-L113 PolarHBondContact O-N 3.48Å |
| 110 | T | 96.7 | Very high | 96 | Very high | 68 Ų | 68 | 99.6 Ų | 99.6 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 175 | 48 | 0 | 0 | 0 | 0 | 111.6 | E106 E107 R112 L113 E114 | E106-T110 WeakPolarHBondContact O-CB 3.5Å; E106-T110 VanDerWaalsContact O-CG2 3.26Å; E106-T110 WeakPolarHBondContact O-CG2 3.43Å; E106-T110 PolarHBondContact O-N 3.24Å; E106-T110 PolarHBondContact O-OG1 2.94Å; E107-T110 VanDerWaalsContact CA-OG1 3.27Å; E107-T110 WeakPolarHBondContact CA-OG1 3.46Å; E107-T110 PolarHBondContact O-OG1 2.92Å; T110-R112 VanDerWaalsContact C-N 3.31Å; T110-R112 PolarHBondContact O-N 2.92Å; T110-L113 PolarHBondContact O-N 3.3Å; T110-L113 VanDerWaalsContact O-N 3.1Å; T110-E114 WeakPolarHBondContact O-CG 3.37Å; T110-E114 PolarHBondContact O-N 2.94Å |
| 111 | R | 96.4 | Very high | 96 | Very high | 133 Ų | 133 | 106.5 Ų | 106.5 | 50% | 0.502 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.3 | -41.6 | 175.4 | -73.5 | 178.7 | -167.7 | 144.3 | 17.2 | 112.7 | E107 E114 Q115 | E107-R111 WeakPolarHBondContact O-CB 3.36Å; E107-R111 VanDerWaalsContact O-CG 3.29Å; E107-R111 WeakPolarHBondContact O-CG 3.46Å; E107-R111 PolarHBondContact O-N 3.25Å; E107-R111 IonicContact OE2-CZ 3.95Å; E107-R111 IonicContact OE2-NH2 3.78Å; E107-R111 PolarHBondContact OE2-NH2 2.96Å; R111-E114 PolarHBondContact O-N 2.98Å; R111-Q115 VanDerWaalsContact O-CG 3.3Å; R111-Q115 WeakPolarHBondContact O-CG 3.49Å; R111-Q115 PolarHBondContact O-N 3.47Å |
| 112 | R | 96.7 | Very high | 96.1 | Very high | 164 Ų | 164 | 106.1 Ų | 106.1 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 176.3 | 175.1 | 178.6 | 159.8 | 167.2 | -4.2 | 111.6 | R108 T109 T110 Q115 Q116 | R108-R112 WeakPolarHBondContact O-CB 3.47Å; R108-R112 PolarHBondContact O-N 3.35Å; R108-R112 VanDerWaalsContact O-N 3.1Å; T109-R112 PolarHBondContact O-N 3.32Å; T110-R112 VanDerWaalsContact C-N 3.31Å; T110-R112 PolarHBondContact O-N 2.92Å; R112-Q115 PolarHBondContact O-N 2.99Å; R112-Q116 WeakPolarHBondContact O-CG 3.45Å; R112-Q116 PolarHBondContact O-N 2.87Å |
| 113 | L | 96.3 | Very high | 96.1 | Very high | 100 Ų | 100 | 101.2 Ų | 101.2 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 177.3 | -70.4 | 172.1 | 0 | 0 | 0 | 111.3 | T109 T110 Q115 Q116 V117 | T109-L113 WeakPolarHBondContact O-CG 3.46Å; T109-L113 PolarHBondContact O-N 3.48Å; T110-L113 PolarHBondContact O-N 3.3Å; T110-L113 VanDerWaalsContact O-N 3.1Å; L113-Q115 VanDerWaalsContact C-N 3.33Å; L113-Q115 PolarHBondContact O-N 3.4Å; L113-Q116 PolarHBondContact O-N 2.95Å; L113-V117 WeakPolarHBondContact O-CG2 3.3Å; L113-V117 PolarHBondContact O-N 2.9Å |
| 114 | E | 96.1 | Very high | 96.1 | Very high | 131 Ų | 131 | 104.4 Ų | 104.4 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.1 | -43.8 | 174.9 | -72.8 | 174.9 | 164.8 | 0 | 0 | 111.8 | T110 R111 V117 S118 | T110-E114 WeakPolarHBondContact O-CG 3.37Å; T110-E114 PolarHBondContact O-N 2.94Å; R111-E114 PolarHBondContact O-N 2.98Å; E114-V117 PolarHBondContact O-N 3.34Å; E114-S118 PolarHBondContact O-N 3.28Å |
| 115 | Q | 96.4 | Very high | 96.1 | Very high | 126 Ų | 126 | 103.5 Ų | 103.5 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.3 | -46.9 | 173.7 | -74.2 | 173.2 | -1.4 | 0 | 0 | 111.5 | R111 R112 L113 V117 S118 L119 | R111-Q115 VanDerWaalsContact O-CG 3.3Å; R111-Q115 WeakPolarHBondContact O-CG 3.49Å; R111-Q115 PolarHBondContact O-N 3.47Å; R112-Q115 PolarHBondContact O-N 2.99Å; L113-Q115 VanDerWaalsContact C-N 3.33Å; L113-Q115 PolarHBondContact O-N 3.4Å; Q115-V117 VanDerWaalsContact C-N 3.33Å; Q115-V117 PolarHBondContact O-N 2.92Å; Q115-S118 WeakPolarHBondContact CA-OG 3.21Å; Q115-S118 PolarHBondContact O-N 3.17Å; Q115-S118 PolarHBondContact O-OG 3.42Å; Q115-L119 WeakPolarHBondContact O-CG 3.46Å; Q115-L119 PolarHBondContact O-N 3.22Å |
| 116 | Q | 96.8 | Very high | 96.2 | Very high | 87 Ų | 87 | 105.5 Ų | 105.5 | 41% | 0.407 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.2 | -73.6 | -177.5 | -24.4 | 0 | 0 | 112.2 | R112 L113 S118 L119 L120 | R112-Q116 WeakPolarHBondContact O-CG 3.45Å; R112-Q116 PolarHBondContact O-N 2.87Å; L113-Q116 PolarHBondContact O-N 2.95Å; Q116-S118 VanDerWaalsContact C-N 3.33Å; Q116-S118 PolarHBondContact O-N 3.39Å; Q116-L119 PolarHBondContact O-N 3.07Å; Q116-L120 WeakPolarHBondContact O-CB 3.37Å; Q116-L120 VanDerWaalsContact O-CG 3.3Å; Q116-L120 WeakPolarHBondContact O-CG 3.47Å; Q116-L120 PolarHBondContact O-N 3.3Å |
| 117 | V | 97.1 | Very high | 96.1 | Very high | 64 Ų | 64 | 106 Ų | 106 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 111 | L113 E114 Q115 L120 R121 | L113-V117 WeakPolarHBondContact O-CG2 3.3Å; L113-V117 PolarHBondContact O-N 2.9Å; E114-V117 PolarHBondContact O-N 3.34Å; Q115-V117 VanDerWaalsContact C-N 3.33Å; Q115-V117 PolarHBondContact O-N 2.92Å; V117-L120 PolarHBondContact O-N 3.2Å; V117-R121 VanDerWaalsContact O-CG 3.3Å; V117-R121 WeakPolarHBondContact O-CG 3.5Å; V117-R121 PolarHBondContact O-N 2.86Å |
| 118 | S | 96.2 | Very high | 96.1 | Very high | 51 Ų | 51 | 106.1 Ų | 106.1 | 36% | 0.357 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.8 | 72 | 0 | 0 | 0 | 0 | 112.1 | E114 Q115 Q116 L120 R121 E122 | E114-S118 PolarHBondContact O-N 3.28Å; Q115-S118 WeakPolarHBondContact CA-OG 3.21Å; Q115-S118 PolarHBondContact O-N 3.17Å; Q115-S118 PolarHBondContact O-OG 3.42Å; Q116-S118 VanDerWaalsContact C-N 3.33Å; Q116-S118 PolarHBondContact O-N 3.39Å; S118-L120 PolarHBondContact O-N 3.48Å; S118-R121 WeakPolarHBondContact O-CB 3.35Å; S118-R121 PolarHBondContact O-N 2.97Å; S118-E122 WeakPolarHBondContact O-CG 3.39Å; S118-E122 PolarHBondContact O-N 2.88Å |
| 119 | L | 96.6 | Very high | 96 | Very high | 106 Ų | 106 | 106 Ų | 106 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 176.8 | -69.3 | 172.2 | 0 | 0 | 0 | 111.9 | Q115 Q116 R121 E122 A123 | Q115-L119 WeakPolarHBondContact O-CG 3.46Å; Q115-L119 PolarHBondContact O-N 3.22Å; Q116-L119 PolarHBondContact O-N 3.07Å; L119-R121 VanDerWaalsContact C-N 3.34Å; L119-E122 PolarHBondContact O-N 3.34Å; L119-A123 WeakPolarHBondContact O-CB 3.41Å; L119-A123 PolarHBondContact O-N 2.92Å |
| 120 | L | 96.8 | Very high | 96 | Very high | 122 Ų | 122 | 104.6 Ų | 104.6 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -37.5 | 176.3 | -72.8 | 172 | 0 | 0 | 0 | 112 | Q116 V117 S118 K124 | Q116-L120 WeakPolarHBondContact O-CB 3.37Å; Q116-L120 VanDerWaalsContact O-CG 3.3Å; Q116-L120 WeakPolarHBondContact O-CG 3.47Å; Q116-L120 PolarHBondContact O-N 3.3Å; V117-L120 PolarHBondContact O-N 3.2Å; S118-L120 PolarHBondContact O-N 3.48Å; L120-K124 WeakPolarHBondContact O-CB 3.23Å; L120-K124 PolarHBondContact O-N 3.27Å |
| 121 | R | 96.5 | Very high | 95.8 | Very high | 175 Ų | 175 | 107.2 Ų | 107.2 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 173.9 | -74.5 | 173.4 | -179.4 | 176.1 | 2.1 | 111.4 | V117 S118 L119 K124 V125 | V117-R121 VanDerWaalsContact O-CG 3.3Å; V117-R121 WeakPolarHBondContact O-CG 3.5Å; V117-R121 PolarHBondContact O-N 2.86Å; S118-R121 WeakPolarHBondContact O-CB 3.35Å; S118-R121 PolarHBondContact O-N 2.97Å; L119-R121 VanDerWaalsContact C-N 3.34Å; R121-K124 WeakPolarHBondContact O-CB 3.41Å; R121-K124 PolarHBondContact O-N 2.94Å; R121-V125 WeakPolarHBondContact O-CG2 3.39Å; R121-V125 PolarHBondContact O-N 3.36Å; R121-V125 VanDerWaalsContact O-N 3.09Å |
| 122 | E | 96.1 | Very high | 95.6 | Very high | 120 Ų | 120 | 104.3 Ų | 104.3 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.4 | -46.6 | 175.6 | -72.3 | 177.3 | -176.4 | 0 | 0 | 111.8 | S118 L119 K124 V125 L126 | S118-E122 WeakPolarHBondContact O-CG 3.39Å; S118-E122 PolarHBondContact O-N 2.88Å; L119-E122 PolarHBondContact O-N 3.34Å; E122-K124 VanDerWaalsContact C-N 3.31Å; E122-K124 PolarHBondContact O-N 2.86Å; E122-V125 PolarHBondContact O-N 3.38Å; E122-L126 WeakPolarHBondContact O-CG 3.4Å; E122-L126 PolarHBondContact O-N 2.98Å |
| 123 | A | 95.4 | Very high | 95.4 | Very high | 45 Ų | 45 | 98.2 Ų | 98.2 | 37% | 0.372 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L119 L126 L127 | L119-A123 WeakPolarHBondContact O-CB 3.41Å; L119-A123 PolarHBondContact O-N 2.92Å; A123-L126 PolarHBondContact O-N 3.34Å; A123-L127 WeakPolarHBondContact O-CG 3.43Å; A123-L127 PolarHBondContact O-N 2.96Å |
| 124 | K | 95.5 | Very high | 95.1 | Very high | 127 Ų | 127 | 98.9 Ų | 98.9 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.6 | -48.1 | 174.5 | -177 | -177 | 173.5 | -171 | 0 | 111.6 | L120 R121 E122 L126 L127 E128 | L120-K124 WeakPolarHBondContact O-CB 3.23Å; L120-K124 PolarHBondContact O-N 3.27Å; R121-K124 WeakPolarHBondContact O-CB 3.41Å; R121-K124 PolarHBondContact O-N 2.94Å; E122-K124 VanDerWaalsContact C-N 3.31Å; E122-K124 PolarHBondContact O-N 2.86Å; K124-L126 VanDerWaalsContact C-N 3.31Å; K124-L126 PolarHBondContact O-N 3.48Å; K124-L127 PolarHBondContact O-N 2.92Å; K124-E128 WeakPolarHBondContact CE-OE1 3.28Å; K124-E128 IonicContact NZ-OE1 3.01Å; K124-E128 WeakPolarHBondContact O-CG 3.49Å; K124-E128 PolarHBondContact O-N 3.27Å |
| 125 | V | 96.4 | Very high | 94.8 | Very high | 65 Ų | 65 | 97.6 Ų | 97.6 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | R121 E122 K129 | R121-V125 WeakPolarHBondContact O-CG2 3.39Å; R121-V125 PolarHBondContact O-N 3.36Å; R121-V125 VanDerWaalsContact O-N 3.09Å; E122-V125 PolarHBondContact O-N 3.38Å; V125-K129 HydrophobicContact CG1-CD 4.31Å; V125-K129 WeakPolarHBondContact O-CG 3.33Å; V125-K129 PolarHBondContact O-N 2.99Å |
| 126 | L | 95.3 | Very high | 94.5 | Very high | 114 Ų | 114 | 95.2 Ų | 95.2 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65 | -40.1 | 175.9 | -69.8 | 174.7 | 0 | 0 | 0 | 112.1 | E122 A123 K124 K129 A130 | E122-L126 WeakPolarHBondContact O-CG 3.4Å; E122-L126 PolarHBondContact O-N 2.98Å; A123-L126 PolarHBondContact O-N 3.34Å; K124-L126 VanDerWaalsContact C-N 3.31Å; K124-L126 PolarHBondContact O-N 3.48Å; L126-K129 PolarHBondContact O-N 3.45Å; L126-A130 WeakPolarHBondContact O-CB 3.48Å; L126-A130 PolarHBondContact O-N 3.2Å |
| 127 | L | 95 | Very high | 94.1 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.1 | -45.8 | 175.6 | -72.5 | 165.8 | 0 | 0 | 0 | 111.6 | A123 K124 K129 A130 E131 | A123-L127 WeakPolarHBondContact O-CG 3.43Å; A123-L127 PolarHBondContact O-N 2.96Å; K124-L127 PolarHBondContact O-N 2.92Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 2.86Å; L127-A130 WeakPolarHBondContact O-CB 3.33Å; L127-A130 PolarHBondContact O-N 2.99Å; L127-E131 WeakPolarHBondContact O-CG 3.43Å; L127-E131 PolarHBondContact O-N 3.37Å |
| 128 | E | 95.3 | Very high | 93.6 | Very high | 98 Ų | 98 | 101.1 Ų | 101.1 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 175.9 | -72.3 | 174.1 | 168.3 | 0 | 0 | 111.7 | K124 S132 | K124-E128 WeakPolarHBondContact CE-OE1 3.28Å; K124-E128 IonicContact NZ-OE1 3.01Å; K124-E128 WeakPolarHBondContact O-CG 3.49Å; K124-E128 PolarHBondContact O-N 3.27Å; E128-S132 WeakPolarHBondContact O-CB 3.36Å; E128-S132 PolarHBondContact O-N 3.37Å |
| 129 | K | 94.8 | Very high | 93.1 | Very high | 140 Ų | 140 | 103.4 Ų | 103.4 | 61% | 0.609 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 173.3 | -74.7 | 175.9 | -178.3 | 177.7 | 0 | 112.3 | V125 L126 L127 G133 | V125-K129 HydrophobicContact CG1-CD 4.31Å; V125-K129 WeakPolarHBondContact O-CG 3.33Å; V125-K129 PolarHBondContact O-N 2.99Å; L126-K129 PolarHBondContact O-N 3.45Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 PolarHBondContact O-N 2.86Å; K129-G133 PolarHBondContact O-N 2.94Å |
| 130 | A | 93.6 | Very high | 92.5 | Very high | 46 Ų | 46 | 103.3 Ų | 103.3 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L126 L127 G133 M134 | L126-A130 WeakPolarHBondContact O-CB 3.48Å; L126-A130 PolarHBondContact O-N 3.2Å; L127-A130 WeakPolarHBondContact O-CB 3.33Å; L127-A130 PolarHBondContact O-N 2.99Å; A130-G133 PolarHBondContact O-N 2.97Å; A130-M134 WeakPolarHBondContact O-CG 3.5Å; A130-M134 PolarHBondContact O-N 3.06Å |
| 131 | E | 93 | Very high | 91.8 | Very high | 124 Ų | 124 | 103.2 Ų | 103.2 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -49.5 | 174.8 | -73.9 | -177.6 | 171.6 | 0 | 0 | 111.4 | L127 G133 M134 I135 | L127-E131 WeakPolarHBondContact O-CG 3.43Å; L127-E131 PolarHBondContact O-N 3.37Å; E131-G133 VanDerWaalsContact C-N 3.3Å; E131-G133 PolarHBondContact O-N 3.24Å; E131-M134 PolarHBondContact O-N 2.87Å; E131-M134 VanDerWaalsContact O-N 3.15Å; E131-I135 WeakPolarHBondContact O-CG1 3.5Å; E131-I135 PolarHBondContact O-N 2.92Å |
| 132 | S | 91.9 | Very high | 91.1 | Very high | 71 Ų | 71 | 99.4 Ų | 99.4 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.5 | -42.1 | 175.5 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | E128 I135 T136 | E128-S132 WeakPolarHBondContact O-CB 3.36Å; E128-S132 PolarHBondContact O-N 3.37Å; S132-I135 PolarHBondContact O-N 3.46Å; S132-T136 PolarHBondContact O-N 3.32Å; S132-T136 PolarHBondContact O-OG1 3.38Å |
| 133 | G | 91.6 | Very high | 90.1 | Very high | 36 Ų | 36 | 97.8 Ų | 97.8 | 37% | 0.371 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K129 A130 E131 T136 R137 | K129-G133 PolarHBondContact O-N 2.94Å; A130-G133 PolarHBondContact O-N 2.97Å; E131-G133 VanDerWaalsContact C-N 3.3Å; E131-G133 PolarHBondContact O-N 3.24Å; G133-T136 PolarHBondContact O-N 2.99Å; G133-R137 WeakPolarHBondContact O-CB 3.35Å; G133-R137 PolarHBondContact O-N 3.33Å |
| 134 | M | 90.1 | Very high | 89 | Confident | 115 Ų | 115 | 100.9 Ų | 100.9 | 57% | 0.567 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 174.7 | -72.1 | -176.6 | -166.1 | 0 | 0 | 111.5 | A130 E131 T136 R137 L138 | A130-M134 WeakPolarHBondContact O-CG 3.5Å; A130-M134 PolarHBondContact O-N 3.06Å; E131-M134 PolarHBondContact O-N 2.87Å; E131-M134 VanDerWaalsContact O-N 3.15Å; M134-T136 VanDerWaalsContact C-N 3.32Å; M134-T136 PolarHBondContact O-N 3.41Å; M134-R137 PolarHBondContact O-N 3.47Å; M134-L138 WeakPolarHBondContact O-CG 3.42Å; M134-L138 PolarHBondContact O-N 2.94Å |
| 135 | I | 90.5 | Very high | 87.6 | Confident | 103 Ų | 103 | 98 Ų | 98 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 175.8 | -67.1 | 165.7 | 0 | 0 | 0 | 110.1 | E131 S132 R137 L138 I139 | E131-I135 WeakPolarHBondContact O-CG1 3.5Å; E131-I135 PolarHBondContact O-N 2.92Å; S132-I135 PolarHBondContact O-N 3.46Å; I135-R137 VanDerWaalsContact C-N 3.33Å; I135-R137 PolarHBondContact O-N 3.43Å; I135-L138 PolarHBondContact O-N 2.87Å; I135-I139 HydrophobicContact CG2-CD1 3.92Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 3.42Å |
| 136 | T | 90.4 | Very high | 86 | Confident | 76 Ų | 76 | 102.3 Ų | 102.3 | 47% | 0.466 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 178.2 | -53.2 | 0 | 0 | 0 | 0 | 111.7 | S132 G133 M134 I139 L140 | S132-T136 PolarHBondContact O-N 3.32Å; S132-T136 PolarHBondContact O-OG1 3.38Å; G133-T136 PolarHBondContact O-N 2.99Å; M134-T136 VanDerWaalsContact C-N 3.32Å; M134-T136 PolarHBondContact O-N 3.41Å; T136-I139 PolarHBondContact O-N 2.99Å; T136-L140 WeakPolarHBondContact O-CG 3.33Å; T136-L140 PolarHBondContact O-N 3.1Å |
| 137 | R | 87.8 | Confident | 84.2 | Confident | 174 Ų | 174 | 101.8 Ų | 101.8 | 66% | 0.657 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 177 | -174.6 | -177.8 | -76.2 | 143.2 | -5 | 112 | G133 M134 I135 L140 Q141 | G133-R137 WeakPolarHBondContact O-CB 3.35Å; G133-R137 PolarHBondContact O-N 3.33Å; M134-R137 PolarHBondContact O-N 3.47Å; I135-R137 VanDerWaalsContact C-N 3.33Å; I135-R137 PolarHBondContact O-N 3.43Å; R137-L140 PolarHBondContact O-N 2.91Å; R137-Q141 WeakPolarHBondContact O-CB 3.32Å; R137-Q141 PolarHBondContact O-N 2.98Å |
| 138 | L | 87.2 | Confident | 82.2 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.9 | -72.5 | 170.7 | 0 | 0 | 0 | 111.6 | M134 I135 L140 Q141 I142 | M134-L138 WeakPolarHBondContact O-CG 3.42Å; M134-L138 PolarHBondContact O-N 2.94Å; I135-L138 PolarHBondContact O-N 2.87Å; L138-L140 PolarHBondContact O-N 3.38Å; L138-Q141 PolarHBondContact O-N 3.45Å; L138-I142 WeakPolarHBondContact O-CG1 3.41Å; L138-I142 PolarHBondContact O-N 3.15Å |
| 139 | I | 86.2 | Confident | 80 | Confident | 98 Ų | 98 | 102.6 Ų | 102.6 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 174.2 | -68 | 166.9 | 0 | 0 | 0 | 110.6 | I135 T136 Q141 I142 E143 | I135-I139 HydrophobicContact CG2-CD1 3.92Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 3.42Å; T136-I139 PolarHBondContact O-N 2.99Å; I139-Q141 VanDerWaalsContact C-N 3.3Å; I139-Q141 PolarHBondContact O-N 3.48Å; I139-I142 PolarHBondContact O-N 2.9Å; I139-E143 PolarHBondContact O-N 2.88Å |
| 140 | L | 84.3 | Confident | 77.4 | Confident | 104 Ų | 104 | 106.7 Ų | 106.7 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 176.3 | -73.4 | 170 | 0 | 0 | 0 | 112.4 | T136 R137 L138 E143 L144 | T136-L140 WeakPolarHBondContact O-CG 3.33Å; T136-L140 PolarHBondContact O-N 3.1Å; R137-L140 PolarHBondContact O-N 2.91Å; L138-L140 PolarHBondContact O-N 3.38Å; L140-E143 PolarHBondContact O-N 3.23Å; L140-L144 WeakPolarHBondContact O-CB 3.37Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.33Å; L140-L144 PolarHBondContact O-N 2.9Å |
| 141 | Q | 82.1 | Confident | 74.9 | Confident | 121 Ų | 121 | 113.1 Ų | 113.1 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.2 | -35.3 | 177.9 | -170.6 | 172.8 | -15.1 | 0 | 0 | 112.3 | R137 L138 I139 S145 | R137-Q141 WeakPolarHBondContact O-CB 3.32Å; R137-Q141 PolarHBondContact O-N 2.98Å; L138-Q141 PolarHBondContact O-N 3.45Å; I139-Q141 VanDerWaalsContact C-N 3.3Å; I139-Q141 PolarHBondContact O-N 3.48Å; Q141-S145 WeakPolarHBondContact O-CB 3.34Å; Q141-S145 PolarHBondContact O-N 2.9Å; Q141-S145 PolarHBondContact O-OG 2.71Å |
| 142 | I | 80.3 | Confident | 71.9 | Confident | 94 Ų | 94 | 110.2 Ų | 110.2 | 48% | 0.482 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.5 | -42.8 | 172.8 | -68 | 164.8 | 0 | 0 | 0 | 110.6 | L138 I139 S145 R146 | L138-I142 WeakPolarHBondContact O-CG1 3.41Å; L138-I142 PolarHBondContact O-N 3.15Å; I139-I142 PolarHBondContact O-N 2.9Å; I142-S145 VanDerWaalsContact CA-OG 3.28Å; I142-S145 WeakPolarHBondContact CA-OG 3.49Å; I142-S145 PolarHBondContact O-N 2.93Å; I142-S145 PolarHBondContact O-OG 2.91Å; I142-R146 WeakPolarHBondContact O-CG 3.05Å; I142-R146 PolarHBondContact O-N 3.43Å |
| 143 | E | 75.8 | Confident | 69.1 | Low | 87 Ų | 87 | 112.6 Ų | 112.6 | 41% | 0.407 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.8 | -41.8 | 175.1 | -74 | -61.8 | 138.2 | 0 | 0 | 112.2 | I139 L140 R146 I147 | I139-E143 PolarHBondContact O-N 2.88Å; L140-E143 PolarHBondContact O-N 3.23Å; E143-R146 WeakPolarHBondContact O-CB 3.4Å; E143-R146 PolarHBondContact O-N 3.39Å; E143-R146 IonicContact OE1-NH1 3.83Å; E143-R146 PolarHBondContact OE1-NH1 3.41Å; E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 3.37Å |
| 144 | L | 73 | Confident | 66 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.3 | -37.8 | 175.6 | -74.9 | 169.7 | 0 | 0 | 0 | 112.7 | L140 I147 N148 | L140-L144 WeakPolarHBondContact O-CB 3.37Å; L140-L144 VanDerWaalsContact O-CG 3.3Å; L140-L144 WeakPolarHBondContact O-CG 3.33Å; L140-L144 PolarHBondContact O-N 2.9Å; L144-I147 PolarHBondContact O-N 2.97Å; L144-N148 WeakPolarHBondContact O-CB 3.42Å; L144-N148 PolarHBondContact O-N 3.42Å |
| 145 | S | 65.3 | Low | 63.2 | Low | 67 Ų | 67 | 122.2 Ų | 122.2 | 47% | 0.469 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.8 | -32.9 | 174.6 | 47 | 0 | 0 | 0 | 0 | 112.3 | Q141 I142 N148 S149 | Q141-S145 WeakPolarHBondContact O-CB 3.34Å; Q141-S145 PolarHBondContact O-N 2.9Å; Q141-S145 PolarHBondContact O-OG 2.71Å; I142-S145 VanDerWaalsContact CA-OG 3.28Å; I142-S145 WeakPolarHBondContact CA-OG 3.49Å; I142-S145 PolarHBondContact O-N 2.93Å; I142-S145 PolarHBondContact O-OG 2.91Å; S145-N148 PolarHBondContact O-N 3.02Å; S145-S149 PolarHBondContact O-N 3.38Å |
| 146 | R | 61.9 | Low | 60.4 | Low | 156 Ų | 156 | 125.6 Ų | 125.6 | 59% | 0.589 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.1 | -43.8 | 167 | -79.5 | 175 | 166.1 | 173.1 | -4.9 | 112.3 | I142 E143 S149 | I142-R146 WeakPolarHBondContact O-CG 3.05Å; I142-R146 PolarHBondContact O-N 3.43Å; E143-R146 WeakPolarHBondContact O-CB 3.4Å; E143-R146 PolarHBondContact O-N 3.39Å; E143-R146 IonicContact OE1-NH1 3.83Å; E143-R146 PolarHBondContact OE1-NH1 3.41Å; R146-S149 PolarHBondContact O-N 2.95Å; R146-S149 PolarHBondContact O-OG 2.89Å |
| 147 | I | 58.5 | Low | 58.2 | Low | 103 Ų | 103 | 127.5 Ų | 127.5 | 53% | 0.528 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -67.1 | -38.8 | 177.2 | -66.5 | 165 | 0 | 0 | 0 | 111.3 | E143 L144 S149 R150 | E143-I147 WeakPolarHBondContact O-CG1 3.46Å; E143-I147 PolarHBondContact O-N 3.37Å; L144-I147 PolarHBondContact O-N 2.97Å; I147-S149 VanDerWaalsContact C-N 3.3Å; I147-S149 PolarHBondContact O-N 3.01Å; I147-R150 WeakPolarHBondContact O-CB 3.5Å; I147-R150 PolarHBondContact O-N 3.31Å; I147-R150 VanDerWaalsContact O-N 3.16Å |
| 148 | N | 52.8 | Low | 55.9 | Low | 128 Ų | 128 | 127.6 Ų | 127.6 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.4 | -23.5 | 175.5 | -89.6 | -2 | 0 | 0 | 0 | 113.5 | L144 S145 R150 | L144-N148 WeakPolarHBondContact O-CB 3.42Å; L144-N148 PolarHBondContact O-N 3.42Å; S145-N148 PolarHBondContact O-N 3.02Å; N148-R150 PolarHBondContact O-N 3.01Å |
| 149 | S | 48.3 | Very low | 53.9 | Low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -7.3 | 171.6 | 76.5 | 0 | 0 | 0 | 0 | 114.2 | S145 R146 I147 | S145-S149 PolarHBondContact O-N 3.38Å; R146-S149 PolarHBondContact O-N 2.95Å; R146-S149 PolarHBondContact O-OG 2.89Å; I147-S149 VanDerWaalsContact C-N 3.3Å; I147-S149 PolarHBondContact O-N 3.01Å |
| 150 | R | 40.3 | Very low | 52 | Low | 227 Ų | 227 | 131.6 Ų | 131.6 | 86% | 0.857 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 1.9 | 179.4 | -121.4 | 178.2 | -170.7 | -171 | 2.7 | 114.7 | I147 N148 | I147-R150 WeakPolarHBondContact O-CB 3.5Å; I147-R150 PolarHBondContact O-N 3.31Å; I147-R150 VanDerWaalsContact O-N 3.16Å; N148-R150 PolarHBondContact O-N 3.01Å |
| 151 | K | 41.4 | Very low | 50.6 | Low | 180 Ų | 180 | 133.4 Ų | 133.4 | 78% | 0.783 | 68% | 0.681 | S | S | * | * | trans | -122.5 | 83.5 | 174.3 | -73.4 | -175.2 | 176.6 | -179.1 | 0 | 109.5 | T153 | K151-T153 PolarHBondContact O-N 3.29Š| ||
| 152 | G | 29.6 | Very low | 49.2 | Very low | 64 Ų | 64 | 134.5 Ų | 134.5 | 66% | 0.66 | 69% | 0.689 | S | S | * | * | trans | -69.5 | 121.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 153 | T | 33.7 | Very low | 47.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | trans | 39.7 | 118.4 | 135.5 | 55.2 | 0 | 0 | 0 | 0 | 119.2 | K151 | K151-T153 PolarHBondContact O-N 3.29Š| ||
| 154 | E | 27.4 | Very low | 46.9 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 94% | 0.935 | 70% | 0.698 | S | S | * | * | trans | -139 | 139.9 | 138.1 | -151.4 | 165.1 | -159 | 0 | 0 | 110.5 | ||||
| 155 | H | 30.5 | Very low | 46.1 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | trans | -91.8 | 153.4 | -164 | -71.4 | -87.1 | 0 | 0 | 0 | 113.2 | ||||
| 156 | Q | 32.8 | Very low | 45.6 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | 22.2 | 163 | 139.1 | -69.5 | -179.9 | -23.6 | 0 | 0 | 121.2 | ||||
| 157 | P | 42.8 | Very low | 45.4 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 70% | 0.702 | S | S | * | * | cis | -138.5 | -178.7 | 12 | 27 | -0.4 | 0 | 0 | 0 | 116.2 | ||||
| 158 | E | 39.4 | Very low | 45.6 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | -33.8 | 138.4 | 167.3 | -62.1 | 162.6 | 175.1 | 0 | 0 | 117.2 | ||||
| 159 | T | 44.7 | Very low | 46 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 85% | 0.853 | 69% | 0.687 | S | S | * | * | trans | 170.6 | 70.5 | 141 | 33.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 160 | K | 46.9 | Very low | 46.7 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 63% | 0.63 | 69% | 0.687 | S | S | * | * | trans | -147.7 | 62.3 | 160.9 | -70.4 | -164.9 | 179.8 | 174.9 | 0 | 111.8 | I162 I164 | K160-I162 PolarHBondContact O-N 3.38Å; K160-I164 HydrophobicContact CB-CD1 4.17Å; K160-I164 HydrophobicContact CB-CG1 4.44Å; K160-I164 WeakPolarHBondContact O-CD1 3.35Å; K160-I164 WeakPolarHBondContact O-CG1 3.36Å | ||
| 161 | N | 54.8 | Low | 48 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 24.3 | -167.7 | -131.9 | 1.1 | 0 | 0 | 0 | 116.2 | ||
| 162 | I | 53.5 | Low | 49.5 | Very low | 144 Ų | 144 | 126.2 Ų | 126.2 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.5 | -27.7 | 175.7 | -55.1 | 177.9 | 0 | 0 | 0 | 112 | K160 | K160-I162 PolarHBondContact O-N 3.38Š|
| 163 | Q | 51.7 | Low | 51.5 | Low | 146 Ų | 146 | 127.3 Ų | 127.3 | 68% | 0.682 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -83.2 | -29.3 | 172.6 | -73.3 | 179.3 | -15.9 | 0 | 0 | 113.3 | K167 | Q163-K167 WeakPolarHBondContact O-CB 3.27Å; Q163-K167 PolarHBondContact O-N 2.92Å; Q163-K167 VanDerWaalsContact O-N 3.11Å |
| 164 | I | 55.3 | Low | 53.4 | Low | 74 Ų | 74 | 125.1 Ų | 125.1 | 38% | 0.379 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -73.8 | -31.4 | 179 | -61.1 | 171.4 | 0 | 0 | 0 | 111.3 | K160 K167 K168 | K160-I164 HydrophobicContact CB-CD1 4.17Å; K160-I164 HydrophobicContact CB-CG1 4.44Å; K160-I164 WeakPolarHBondContact O-CD1 3.35Å; K160-I164 WeakPolarHBondContact O-CG1 3.36Å; I164-K167 PolarHBondContact O-N 3.44Å; I164-K168 HydrophobicContact CG2-CD 3.57Å; I164-K168 HydrophobicContact CG2-CG 3.82Å; I164-K168 WeakPolarHBondContact O-CB 3.39Å; I164-K168 VanDerWaalsContact O-CG 3.25Å; I164-K168 WeakPolarHBondContact O-CG 3.47Å; I164-K168 PolarHBondContact O-N 3.46Å |
| 165 | V | 55.9 | Low | 55.7 | Low | 90 Ų | 90 | 121.9 Ų | 121.9 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.8 | -42.5 | 178.3 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | G169 | V165-G169 WeakPolarHBondContact O-CA 3.38Å; V165-G169 PolarHBondContact O-N 3.4Å |
| 166 | N | 56 | Low | 57.9 | Low | 106 Ų | 106 | 122.3 Ų | 122.3 | 57% | 0.567 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.7 | -46.3 | 173.4 | -80.6 | -11.8 | 0 | 0 | 0 | 111.3 | G169 W170 | N166-G169 PolarHBondContact O-N 3.31Å; N166-W170 PolarHBondContact O-N 2.9Å |
| 167 | K | 56.9 | Low | 60.1 | Low | 141 Ų | 141 | 117.6 Ų | 117.6 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64 | -43.7 | -179.8 | -161.6 | 177.7 | 178.8 | -178.9 | 0 | 112.9 | Q163 I164 G169 W170 E171 | Q163-K167 WeakPolarHBondContact O-CB 3.27Å; Q163-K167 PolarHBondContact O-N 2.92Å; Q163-K167 VanDerWaalsContact O-N 3.11Å; I164-K167 PolarHBondContact O-N 3.44Å; K167-G169 VanDerWaalsContact C-N 3.34Å; K167-W170 PolarHBondContact O-N 2.99Å; K167-E171 WeakPolarHBondContact CE-OE1 3.28Å; K167-E171 WeakPolarHBondContact O-CB 3.36Å; K167-E171 VanDerWaalsContact O-CG 3.22Å; K167-E171 WeakPolarHBondContact O-CG 3.44Å; K167-E171 PolarHBondContact O-N 2.98Å |
| 168 | K | 62.1 | Low | 61.8 | Low | 127 Ų | 127 | 116.9 Ų | 116.9 | 55% | 0.552 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.9 | -33.3 | 172.5 | -72.1 | -177.3 | 178.7 | 174.4 | 0 | 112.3 | I164 T172 | I164-K168 HydrophobicContact CG2-CD 3.57Å; I164-K168 HydrophobicContact CG2-CG 3.82Å; I164-K168 WeakPolarHBondContact O-CB 3.39Å; I164-K168 VanDerWaalsContact O-CG 3.25Å; I164-K168 WeakPolarHBondContact O-CG 3.47Å; I164-K168 PolarHBondContact O-N 3.46Å; K168-T172 VanDerWaalsContact O-CB 3.28Å; K168-T172 WeakPolarHBondContact O-CB 3.32Å; K168-T172 VanDerWaalsContact O-CG2 3.28Å; K168-T172 WeakPolarHBondContact O-CG2 3.41Å; K168-T172 PolarHBondContact O-N 3.23Å; K168-T172 PolarHBondContact O-OG1 3.48Å |
| 169 | G | 62.9 | Low | 63.8 | Low | 33 Ų | 33 | 116.7 Ų | 116.7 | 34% | 0.34 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -45.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V165 N166 K167 T172 Q173 | V165-G169 WeakPolarHBondContact O-CA 3.38Å; V165-G169 PolarHBondContact O-N 3.4Å; N166-G169 PolarHBondContact O-N 3.31Å; K167-G169 VanDerWaalsContact C-N 3.34Å; G169-T172 WeakPolarHBondContact CA-OG1 3.46Å; G169-T172 PolarHBondContact O-OG1 2.87Å; G169-T172 VanDerWaalsContact O-OG1 3.14Å; G169-Q173 WeakPolarHBondContact O-CB 3.35Å; G169-Q173 PolarHBondContact O-N 3.24Å |
| 170 | W | 62.1 | Low | 65.7 | Low | 185 Ų | 185 | 115 Ų | 115 | 70% | 0.701 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.2 | -44.4 | 172.8 | -66.1 | 112 | 0 | 0 | 0 | 111.6 | N166 K167 T172 Q173 T174 | N166-W170 PolarHBondContact O-N 2.9Å; K167-W170 PolarHBondContact O-N 2.99Å; W170-T172 PolarHBondContact O-N 3.14Å; W170-Q173 PolarHBondContact O-N 2.85Å; W170-T174 WeakPolarHBondContact O-CB 3.46Å; W170-T174 PolarHBondContact O-N 3.47Å; W170-T174 PolarHBondContact O-OG1 3.48Å |
| 171 | E | 68 | Low | 67.4 | Low | 92 Ų | 92 | 113.8 Ų | 113.8 | 43% | 0.43 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 178 | -74.1 | 165.2 | -178.3 | 0 | 0 | 112.5 | K167 Q175 | K167-E171 WeakPolarHBondContact CE-OE1 3.28Å; K167-E171 WeakPolarHBondContact O-CB 3.36Å; K167-E171 VanDerWaalsContact O-CG 3.22Å; K167-E171 WeakPolarHBondContact O-CG 3.44Å; K167-E171 PolarHBondContact O-N 2.98Å; E171-Q175 VanDerWaalsContact O-CB 3.23Å; E171-Q175 WeakPolarHBondContact O-CB 3.28Å; E171-Q175 WeakPolarHBondContact O-CG 3.42Å; E171-Q175 PolarHBondContact O-N 3.49Å |
| 172 | T | 72.1 | Confident | 68.7 | Low | 82 Ų | 82 | 112.8 Ų | 112.8 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70 | -36.4 | 176.2 | 49.4 | 0 | 0 | 0 | 0 | 112 | K168 G169 W170 R176 | K168-T172 VanDerWaalsContact O-CB 3.28Å; K168-T172 WeakPolarHBondContact O-CB 3.32Å; K168-T172 VanDerWaalsContact O-CG2 3.28Å; K168-T172 WeakPolarHBondContact O-CG2 3.41Å; K168-T172 PolarHBondContact O-N 3.23Å; K168-T172 PolarHBondContact O-OG1 3.48Å; G169-T172 WeakPolarHBondContact CA-OG1 3.46Å; G169-T172 PolarHBondContact O-OG1 2.87Å; G169-T172 VanDerWaalsContact O-OG1 3.14Å; W170-T172 PolarHBondContact O-N 3.14Å; T172-R176 WeakPolarHBondContact O-CB 3.17Å; T172-R176 PolarHBondContact O-N 3.33Å |
| 173 | Q | 73.1 | Confident | 70.3 | Confident | 87 Ų | 87 | 110.9 Ų | 110.9 | 41% | 0.407 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -48.7 | 173.4 | -176.7 | 63 | 17.1 | 0 | 0 | 111.1 | G169 W170 Q175 R176 E177 | G169-Q173 WeakPolarHBondContact O-CB 3.35Å; G169-Q173 PolarHBondContact O-N 3.24Å; W170-Q173 PolarHBondContact O-N 2.85Å; Q173-Q175 VanDerWaalsContact C-N 3.35Å; Q173-Q175 PolarHBondContact O-N 3.33Å; Q173-R176 PolarHBondContact O-N 2.92Å; Q173-R176 VanDerWaalsContact O-N 3.13Å; Q173-E177 PolarHBondContact NE2-OE2 2.92Å; Q173-E177 WeakPolarHBondContact O-CB 3.49Å; Q173-E177 PolarHBondContact O-N 2.98Å |
| 174 | T | 72.9 | Confident | 72 | Confident | 75 Ų | 75 | 108.8 Ų | 108.8 | 46% | 0.46 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 177.1 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | W170 R176 N178 | W170-T174 WeakPolarHBondContact O-CB 3.46Å; W170-T174 PolarHBondContact O-N 3.47Å; W170-T174 PolarHBondContact O-OG1 3.48Å; T174-R176 VanDerWaalsContact C-N 3.34Å; T174-N178 VanDerWaalsContact O-CB 3.22Å; T174-N178 WeakPolarHBondContact O-CB 3.29Å; T174-N178 VanDerWaalsContact O-CG 3.31Å; T174-N178 PolarHBondContact O-N 3.45Å |
| 175 | Q | 75.1 | Confident | 73.5 | Confident | 132 Ų | 132 | 112.9 Ų | 112.9 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.4 | -36.5 | 172.6 | -78.4 | 178.3 | 4.9 | 0 | 0 | 112.2 | E171 Q173 R179 | E171-Q175 VanDerWaalsContact O-CB 3.23Å; E171-Q175 WeakPolarHBondContact O-CB 3.28Å; E171-Q175 WeakPolarHBondContact O-CG 3.42Å; E171-Q175 PolarHBondContact O-N 3.49Å; Q173-Q175 VanDerWaalsContact C-N 3.35Å; Q173-Q175 PolarHBondContact O-N 3.33Å; Q175-R179 WeakPolarHBondContact O-CB 3.39Å; Q175-R179 PolarHBondContact O-N 2.86Å |
| 176 | R | 77.5 | Confident | 75 | Confident | 162 Ų | 162 | 112.9 Ų | 112.9 | 61% | 0.611 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.3 | -42.2 | 176.9 | -167.4 | 174.6 | -169.1 | 168.4 | 1.8 | 111.3 | T172 Q173 T174 R179 K180 | T172-R176 WeakPolarHBondContact O-CB 3.17Å; T172-R176 PolarHBondContact O-N 3.33Å; Q173-R176 PolarHBondContact O-N 2.92Å; Q173-R176 VanDerWaalsContact O-N 3.13Å; T174-R176 VanDerWaalsContact C-N 3.34Å; R176-R179 PolarHBondContact O-N 3.01Å; R176-K180 WeakPolarHBondContact O-CB 3.3Å; R176-K180 VanDerWaalsContact O-CG 3.27Å; R176-K180 WeakPolarHBondContact O-CG 3.46Å; R176-K180 PolarHBondContact O-N 3.29Å |
| 177 | E | 79.3 | Confident | 76.5 | Confident | 76 Ų | 76 | 110.4 Ų | 110.4 | 36% | 0.355 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.6 | -52.1 | 171.7 | -138.1 | 81.3 | -121 | 0 | 0 | 109.6 | Q173 R179 K180 H181 | Q173-E177 PolarHBondContact NE2-OE2 2.92Å; Q173-E177 WeakPolarHBondContact O-CB 3.49Å; Q173-E177 PolarHBondContact O-N 2.98Å; E177-R179 VanDerWaalsContact C-N 3.32Å; E177-R179 PolarHBondContact O-N 3.11Å; E177-K180 WeakPolarHBondContact O-CB 3.49Å; E177-K180 PolarHBondContact O-N 3.44Å; E177-K180 VanDerWaalsContact O-N 3.16Å; E177-H181 WeakPolarHBondContact O-CB 3.41Å; E177-H181 PolarHBondContact O-CD2 3.14Å; E177-H181 PolarHBondContact O-N 3.33Å |
| 178 | N | 78.6 | Confident | 77.9 | Confident | 100 Ų | 100 | 110.1 Ų | 110.1 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 178.1 | -81.4 | -4.2 | 0 | 0 | 0 | 112.5 | T174 H181 F182 | T174-N178 VanDerWaalsContact O-CB 3.22Å; T174-N178 WeakPolarHBondContact O-CB 3.29Å; T174-N178 VanDerWaalsContact O-CG 3.31Å; T174-N178 PolarHBondContact O-N 3.45Å; N178-H181 PolarHBondContact O-N 3.01Å; N178-F182 WeakPolarHBondContact O-CB 3.48Å; N178-F182 PolarHBondContact O-N 3.02Å |
| 179 | R | 80.1 | Confident | 79.1 | Confident | 173 Ų | 173 | 105.2 Ų | 105.2 | 65% | 0.653 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.4 | -41.2 | 176.7 | -172.1 | 177.6 | -173.1 | -165.9 | 1.5 | 111.4 | Q175 R176 E177 Q183 | Q175-R179 WeakPolarHBondContact O-CB 3.39Å; Q175-R179 PolarHBondContact O-N 2.86Å; R176-R179 PolarHBondContact O-N 3.01Å; E177-R179 VanDerWaalsContact C-N 3.32Å; E177-R179 PolarHBondContact O-N 3.11Å; R179-Q183 WeakPolarHBondContact O-CB 3.5Å; R179-Q183 WeakPolarHBondContact O-CG 3.38Å; R179-Q183 PolarHBondContact O-N 3.23Å |
| 180 | K | 85.1 | Confident | 80.3 | Confident | 102 Ų | 102 | 111.3 Ų | 111.3 | 44% | 0.443 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 173.6 | -73.2 | 173.4 | 179.7 | -179.6 | 0 | 110.9 | R176 E177 F182 Q183 V184 | R176-K180 WeakPolarHBondContact O-CB 3.3Å; R176-K180 VanDerWaalsContact O-CG 3.27Å; R176-K180 WeakPolarHBondContact O-CG 3.46Å; R176-K180 PolarHBondContact O-N 3.29Å; E177-K180 WeakPolarHBondContact O-CB 3.49Å; E177-K180 PolarHBondContact O-N 3.44Å; E177-K180 VanDerWaalsContact O-N 3.16Å; K180-F182 VanDerWaalsContact C-N 3.34Å; K180-F182 PolarHBondContact O-N 2.94Å; K180-Q183 PolarHBondContact O-N 2.91Å; K180-V184 WeakPolarHBondContact O-CB 3.48Å; K180-V184 VanDerWaalsContact O-CG2 3.28Å; K180-V184 WeakPolarHBondContact O-CG2 3.41Å; K180-V184 PolarHBondContact O-N 2.85Å |
| 181 | H | 81.8 | Confident | 81.4 | Confident | 120 Ų | 120 | 107.7 Ų | 107.7 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -43.5 | 176.4 | -83.2 | -72.2 | 0 | 0 | 0 | 111.9 | E177 N178 V184 W185 | E177-H181 WeakPolarHBondContact O-CB 3.41Å; E177-H181 PolarHBondContact O-CD2 3.14Å; E177-H181 PolarHBondContact O-N 3.33Å; N178-H181 PolarHBondContact O-N 3.01Å; H181-V184 PolarHBondContact O-N 3.47Å; H181-W185 VanDerWaalsContact O-CB 3.25Å; H181-W185 WeakPolarHBondContact O-CB 3.38Å; H181-W185 PolarHBondContact O-N 3.32Å |
| 182 | F | 83.2 | Confident | 82.1 | Confident | 121 Ų | 121 | 107.9 Ų | 107.9 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 175.7 | -178.5 | -101.6 | 0 | 0 | 0 | 112 | N178 K180 W185 H186 | N178-F182 WeakPolarHBondContact O-CB 3.48Å; N178-F182 PolarHBondContact O-N 3.02Å; K180-F182 VanDerWaalsContact C-N 3.34Å; K180-F182 PolarHBondContact O-N 2.94Å; F182-W185 PolarHBondContact O-N 3.41Å; F182-H186 AromaticContact CD1-CD2 3.77Å; F182-H186 AromaticContact CD2-CD2 3.86Å; F182-H186 AromaticContact CE1-CD2 3.3Å; F182-H186 WeakPolarHBondContact CE1-CD2 3.38Å; F182-H186 AromaticContact CE1-NE2 3.62Å; F182-H186 AromaticContact CE2-CD2 3.39Å; F182-H186 WeakPolarHBondContact CE2-CD2 3.43Å; F182-H186 AromaticContact CE2-NE2 3.35Å; F182-H186 WeakPolarHBondContact CE2-NE2 3.44Å; F182-H186 AromaticContact CZ-CD2 3.11Å; F182-H186 WeakPolarHBondContact CZ-CD2 3.44Å; F182-H186 AromaticContact CZ-NE2 2.98Å; F182-H186 WeakPolarHBondContact CZ-NE2 3.47Å; F182-H186 WeakPolarHBondContact O-CB 3.43Å; F182-H186 PolarHBondContact O-N 2.87Å |
| 183 | Q | 85.9 | Confident | 82.6 | Confident | 105 Ų | 105 | 110.6 Ų | 110.6 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.7 | -76.6 | 171.9 | -1.7 | 0 | 0 | 112.2 | R179 K180 H186 A187 | R179-Q183 WeakPolarHBondContact O-CB 3.5Å; R179-Q183 WeakPolarHBondContact O-CG 3.38Å; R179-Q183 PolarHBondContact O-N 3.23Å; K180-Q183 PolarHBondContact O-N 2.91Å; Q183-H186 PolarHBondContact O-N 2.91Å; Q183-A187 VanDerWaalsContact O-CB 3.3Å; Q183-A187 WeakPolarHBondContact O-CB 3.26Å; Q183-A187 PolarHBondContact O-N 3.41Å |
| 184 | V | 87.7 | Confident | 83 | Confident | 102 Ų | 102 | 108.5 Ų | 108.5 | 62% | 0.618 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -44.3 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | K180 H181 A187 F188 | K180-V184 WeakPolarHBondContact O-CB 3.48Å; K180-V184 VanDerWaalsContact O-CG2 3.28Å; K180-V184 WeakPolarHBondContact O-CG2 3.41Å; K180-V184 PolarHBondContact O-N 2.85Å; H181-V184 PolarHBondContact O-N 3.47Å; V184-A187 PolarHBondContact O-N 2.9Å; V184-F188 WeakPolarHBondContact O-CB 3.34Å; V184-F188 PolarHBondContact O-N 3.42Å |
| 185 | W | 88.4 | Confident | 83.3 | Confident | 160 Ų | 160 | 107.3 Ų | 107.3 | 61% | 0.606 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -43.5 | 176.8 | -176.1 | 84.2 | 0 | 0 | 0 | 111.9 | H181 F182 F188 A189 | H181-W185 VanDerWaalsContact O-CB 3.25Å; H181-W185 WeakPolarHBondContact O-CB 3.38Å; H181-W185 PolarHBondContact O-N 3.32Å; F182-W185 PolarHBondContact O-N 3.41Å; W185-F188 PolarHBondContact O-N 2.87Å; W185-A189 WeakPolarHBondContact O-CB 3.35Å; W185-A189 PolarHBondContact O-N 3.02Å |
| 186 | H | 85.8 | Confident | 83.5 | Confident | 90 Ų | 90 | 109.3 Ų | 109.3 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 175.2 | -102.5 | -73 | 0 | 0 | 0 | 112.8 | F182 Q183 F188 A189 Y190 | F182-H186 AromaticContact CD1-CD2 3.77Å; F182-H186 AromaticContact CD2-CD2 3.86Å; F182-H186 AromaticContact CE1-CD2 3.3Å; F182-H186 WeakPolarHBondContact CE1-CD2 3.38Å; F182-H186 AromaticContact CE1-NE2 3.62Å; F182-H186 AromaticContact CE2-CD2 3.39Å; F182-H186 WeakPolarHBondContact CE2-CD2 3.43Å; F182-H186 AromaticContact CE2-NE2 3.35Å; F182-H186 WeakPolarHBondContact CE2-NE2 3.44Å; F182-H186 AromaticContact CZ-CD2 3.11Å; F182-H186 WeakPolarHBondContact CZ-CD2 3.44Å; F182-H186 AromaticContact CZ-NE2 2.98Å; F182-H186 WeakPolarHBondContact CZ-NE2 3.47Å; F182-H186 WeakPolarHBondContact O-CB 3.43Å; F182-H186 PolarHBondContact O-N 2.87Å; Q183-H186 PolarHBondContact O-N 2.91Å; H186-F188 VanDerWaalsContact C-N 3.31Å; H186-A189 PolarHBondContact O-N 3.42Å; H186-Y190 VanDerWaalsContact O-CB 3.24Å; H186-Y190 WeakPolarHBondContact O-CB 3.39Å; H186-Y190 PolarHBondContact O-N 3.42Å |
| 187 | A | 87.2 | Confident | 83.7 | Confident | 53 Ų | 53 | 104.5 Ų | 104.5 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q183 V184 N191 | Q183-A187 VanDerWaalsContact O-CB 3.3Å; Q183-A187 WeakPolarHBondContact O-CB 3.26Å; Q183-A187 PolarHBondContact O-N 3.41Å; V184-A187 PolarHBondContact O-N 2.9Å; A187-N191 WeakPolarHBondContact O-CB 3.34Å; A187-N191 VanDerWaalsContact O-CG 3.32Å; A187-N191 PolarHBondContact O-N 3.32Å |
| 188 | F | 88.3 | Confident | 83.8 | Confident | 136 Ų | 136 | 108.1 Ų | 108.1 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.6 | -50.2 | 175.1 | -174.3 | -92 | 0 | 0 | 0 | 111.7 | V184 W185 H186 Y190 N191 E192 | V184-F188 WeakPolarHBondContact O-CB 3.34Å; V184-F188 PolarHBondContact O-N 3.42Å; W185-F188 PolarHBondContact O-N 2.87Å; H186-F188 VanDerWaalsContact C-N 3.31Å; F188-Y190 VanDerWaalsContact C-N 3.34Å; F188-Y190 PolarHBondContact O-N 3.25Å; F188-N191 PolarHBondContact O-N 2.95Å; F188-E192 WeakPolarHBondContact CE1-OE2 3.28Å; F188-E192 WeakPolarHBondContact O-CB 3.33Å; F188-E192 PolarHBondContact O-N 3.27Å |
| 189 | A | 86.3 | Confident | 84 | Confident | 23 Ų | 23 | 108.2 Ų | 108.2 | 19% | 0.19 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -60.4 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W185 H186 E192 E193 | W185-A189 WeakPolarHBondContact O-CB 3.35Å; W185-A189 PolarHBondContact O-N 3.02Å; H186-A189 PolarHBondContact O-N 3.42Å; A189-E192 PolarHBondContact O-N 2.98Å; A189-E193 WeakPolarHBondContact O-CB 3.48Å; A189-E193 WeakPolarHBondContact O-CG 3.08Å; A189-E193 PolarHBondContact O-N 3.22Å |
| 190 | Y | 87.9 | Confident | 84.1 | Confident | 162 Ų | 162 | 104 Ų | 104 | 64% | 0.635 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -43.1 | 176.1 | -178.3 | -96 | 0 | 0 | 0 | 112.3 | H186 F188 E192 E193 A194 | H186-Y190 VanDerWaalsContact O-CB 3.24Å; H186-Y190 WeakPolarHBondContact O-CB 3.39Å; H186-Y190 PolarHBondContact O-N 3.42Å; F188-Y190 VanDerWaalsContact C-N 3.34Å; F188-Y190 PolarHBondContact O-N 3.25Å; Y190-E192 VanDerWaalsContact C-N 3.33Å; Y190-E193 PolarHBondContact O-N 2.86Å; Y190-A194 VanDerWaalsContact O-CB 3.28Å; Y190-A194 WeakPolarHBondContact O-CB 3.48Å; Y190-A194 PolarHBondContact O-N 2.91Å |
| 191 | N | 85.8 | Confident | 84.2 | Confident | 108 Ų | 108 | 105.4 Ų | 105.4 | 58% | 0.578 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.3 | -36.8 | 176.4 | -79.8 | -13.6 | 0 | 0 | 0 | 112.1 | A187 F188 A194 A195 | A187-N191 WeakPolarHBondContact O-CB 3.34Å; A187-N191 VanDerWaalsContact O-CG 3.32Å; A187-N191 PolarHBondContact O-N 3.32Å; F188-N191 PolarHBondContact O-N 2.95Å; N191-A194 PolarHBondContact O-N 2.99Å; N191-A195 VanDerWaalsContact O-CB 3.32Å; N191-A195 WeakPolarHBondContact O-CB 3.36Å; N191-A195 PolarHBondContact O-N 2.88Å |
| 192 | E | 81.3 | Confident | 84.4 | Confident | 96 Ų | 96 | 101.6 Ų | 101.6 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.2 | -48.9 | 175.2 | -173.9 | 171 | -169.7 | 0 | 0 | 110.8 | F188 A189 Y190 A194 A195 W196 | F188-E192 WeakPolarHBondContact CE1-OE2 3.28Å; F188-E192 WeakPolarHBondContact O-CB 3.33Å; F188-E192 PolarHBondContact O-N 3.27Å; A189-E192 PolarHBondContact O-N 2.98Å; Y190-E192 VanDerWaalsContact C-N 3.33Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 2.9Å; E192-A195 PolarHBondContact O-N 3.5Å; E192-W196 PolarHBondContact O-N 3.45Å |
| 193 | E | 83.1 | Confident | 84.7 | Confident | 140 Ų | 140 | 97.4 Ų | 97.4 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.2 | -42 | 174 | -77.6 | -179.3 | 175.7 | 0 | 0 | 112.5 | A189 Y190 W196 A197 | A189-E193 WeakPolarHBondContact O-CB 3.48Å; A189-E193 WeakPolarHBondContact O-CG 3.08Å; A189-E193 PolarHBondContact O-N 3.22Å; Y190-E193 PolarHBondContact O-N 2.86Å; E193-W196 PolarHBondContact O-N 3.42Å; E193-A197 WeakPolarHBondContact O-CB 3.36Å; E193-A197 PolarHBondContact O-N 3.27Å |
| 194 | A | 82.4 | Confident | 84.9 | Confident | 43 Ų | 43 | 94.9 Ų | 94.9 | 36% | 0.355 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y190 N191 E192 A197 Q198 | Y190-A194 VanDerWaalsContact O-CB 3.28Å; Y190-A194 WeakPolarHBondContact O-CB 3.48Å; Y190-A194 PolarHBondContact O-N 2.91Å; N191-A194 PolarHBondContact O-N 2.99Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 2.9Å; A194-A197 PolarHBondContact O-N 2.96Å; A194-Q198 WeakPolarHBondContact O-CB 3.48Å; A194-Q198 PolarHBondContact O-N 3.49Å |
| 195 | A | 79.6 | Confident | 85 | Confident | 49 Ų | 49 | 92.6 Ų | 92.6 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N191 E192 Q198 V199 | N191-A195 VanDerWaalsContact O-CB 3.32Å; N191-A195 WeakPolarHBondContact O-CB 3.36Å; N191-A195 PolarHBondContact O-N 2.88Å; E192-A195 PolarHBondContact O-N 3.5Å; A195-Q198 PolarHBondContact O-N 3.34Å; A195-V199 WeakPolarHBondContact O-CG2 3.22Å; A195-V199 PolarHBondContact O-N 2.92Å |
| 196 | W | 78.9 | Confident | 85.2 | Confident | 175 Ų | 175 | 89.4 Ų | 89.4 | 66% | 0.663 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 174.7 | -79.3 | 113.8 | 0 | 0 | 0 | 112.4 | E192 E193 Q198 V199 S200 | E192-W196 PolarHBondContact O-N 3.45Å; E193-W196 PolarHBondContact O-N 3.42Å; W196-Q198 VanDerWaalsContact C-N 3.32Å; W196-Q198 PolarHBondContact O-N 3.2Å; W196-V199 PolarHBondContact O-N 3Å; W196-S200 WeakPolarHBondContact O-CB 3.34Å; W196-S200 PolarHBondContact O-N 2.86Å |
| 197 | A | 80.6 | Confident | 85.6 | Confident | 60 Ų | 60 | 92.5 Ų | 92.5 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E193 A194 S200 L201 | E193-A197 WeakPolarHBondContact O-CB 3.36Å; E193-A197 PolarHBondContact O-N 3.27Å; A194-A197 PolarHBondContact O-N 2.96Å; A197-S200 PolarHBondContact O-N 3.06Å; A197-L201 WeakPolarHBondContact O-CB 3.44Å; A197-L201 PolarHBondContact O-N 3.47Å |
| 198 | Q | 82.8 | Confident | 86 | Confident | 152 Ų | 152 | 96 Ų | 96 | 71% | 0.71 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.1 | -40.3 | 179.7 | -158.4 | 168.4 | 20.4 | 0 | 0 | 112.5 | A194 A195 W196 L201 G202 | A194-Q198 WeakPolarHBondContact O-CB 3.48Å; A194-Q198 PolarHBondContact O-N 3.49Å; A195-Q198 PolarHBondContact O-N 3.34Å; W196-Q198 VanDerWaalsContact C-N 3.32Å; W196-Q198 PolarHBondContact O-N 3.2Å; Q198-L201 PolarHBondContact O-N 3.28Å; Q198-G202 PolarHBondContact O-N 3.09Å |
| 199 | V | 82.5 | Confident | 86.2 | Confident | 102 Ų | 102 | 92 Ų | 92 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 173.2 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | A195 W196 G202 G203 | A195-V199 WeakPolarHBondContact O-CG2 3.22Å; A195-V199 PolarHBondContact O-N 2.92Å; W196-V199 PolarHBondContact O-N 3Å; V199-G202 PolarHBondContact O-N 3.46Å; V199-G203 PolarHBondContact O-N 2.92Å |
| 200 | S | 82.4 | Confident | 86.6 | Confident | 84 Ų | 84 | 99.2 Ų | 99.2 | 59% | 0.587 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 176 | -178 | 0 | 0 | 0 | 0 | 111.9 | W196 A197 G203 A204 | W196-S200 WeakPolarHBondContact O-CB 3.34Å; W196-S200 PolarHBondContact O-N 2.86Å; A197-S200 PolarHBondContact O-N 3.06Å; S200-G203 PolarHBondContact O-N 3.27Å; S200-A204 PolarHBondContact O-N 2.92Å |
| 201 | L | 87 | Confident | 86.9 | Confident | 132 Ų | 132 | 94.2 Ų | 94.2 | 69% | 0.691 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.8 | -43.7 | 177.9 | -160.8 | 110 | 0 | 0 | 0 | 111.7 | A197 Q198 G203 A204 A205 | A197-L201 WeakPolarHBondContact O-CB 3.44Å; A197-L201 PolarHBondContact O-N 3.47Å; Q198-L201 PolarHBondContact O-N 3.28Å; L201-G203 VanDerWaalsContact C-N 3.32Å; L201-G203 PolarHBondContact O-N 3.44Å; L201-A204 PolarHBondContact O-N 3.12Å; L201-A205 PolarHBondContact O-N 2.88Å |
| 202 | G | 85.6 | Confident | 87.4 | Confident | 41 Ų | 41 | 95 Ų | 95 | 42% | 0.423 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q198 V199 L206 | Q198-G202 PolarHBondContact O-N 3.09Å; V199-G202 PolarHBondContact O-N 3.46Å; G202-L206 WeakPolarHBondContact O-CB 3.4Å; G202-L206 PolarHBondContact O-N 3.47Å |
| 203 | G | 89.9 | Confident | 88.1 | Confident | 32 Ų | 32 | 94.7 Ų | 94.7 | 33% | 0.33 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V199 S200 L201 K207 | V199-G203 PolarHBondContact O-N 2.92Å; S200-G203 PolarHBondContact O-N 3.27Å; L201-G203 VanDerWaalsContact C-N 3.32Å; L201-G203 PolarHBondContact O-N 3.44Å; G203-K207 WeakPolarHBondContact O-CG 3.4Å; G203-K207 PolarHBondContact O-N 3.48Å; G203-K207 VanDerWaalsContact O-N 3.15Å |
| 204 | A | 89.2 | Confident | 88.7 | Confident | 53 Ų | 53 | 90.5 Ų | 90.5 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -48.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S200 L201 L206 K207 E208 | S200-A204 PolarHBondContact O-N 2.92Å; L201-A204 PolarHBondContact O-N 3.12Å; A204-L206 VanDerWaalsContact C-N 3.29Å; A204-L206 PolarHBondContact O-N 3.43Å; A204-K207 WeakPolarHBondContact O-CB 3.5Å; A204-K207 PolarHBondContact O-N 3.3Å; A204-K207 VanDerWaalsContact O-N 3.08Å; A204-E208 PolarHBondContact O-N 3.35Å |
| 205 | A | 91.2 | Very high | 89.4 | Confident | 54 Ų | 54 | 93.3 Ų | 93.3 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L201 E208 A209 | L201-A205 PolarHBondContact O-N 2.88Å; A205-E208 PolarHBondContact O-N 2.92Å; A205-A209 WeakPolarHBondContact O-CB 3.46Å; A205-A209 PolarHBondContact O-N 2.75Å |
| 206 | L | 92.3 | Very high | 90.2 | Very high | 93 Ų | 93 | 93.5 Ų | 93.5 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.5 | -33.9 | 176.6 | -168.3 | 119.2 | 0 | 0 | 0 | 112.7 | G202 A204 R210 | G202-L206 WeakPolarHBondContact O-CB 3.4Å; G202-L206 PolarHBondContact O-N 3.47Å; A204-L206 VanDerWaalsContact C-N 3.29Å; A204-L206 PolarHBondContact O-N 3.43Å; L206-R210 WeakPolarHBondContact O-CB 3.27Å; L206-R210 VanDerWaalsContact O-CG 3.26Å; L206-R210 WeakPolarHBondContact O-CG 3.42Å; L206-R210 PolarHBondContact O-N 3.37Å; L206-R210 VanDerWaalsContact O-N 3.11Å |
| 207 | K | 93.1 | Very high | 91 | Very high | 155 Ų | 155 | 92 Ų | 92 | 67% | 0.674 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.2 | -41.6 | 173.5 | -74.8 | 174.4 | -176.3 | 178.9 | 0 | 111.3 | G203 A204 R210 A211 | G203-K207 WeakPolarHBondContact O-CG 3.4Å; G203-K207 PolarHBondContact O-N 3.48Å; G203-K207 VanDerWaalsContact O-N 3.15Å; A204-K207 WeakPolarHBondContact O-CB 3.5Å; A204-K207 PolarHBondContact O-N 3.3Å; A204-K207 VanDerWaalsContact O-N 3.08Å; K207-R210 PolarHBondContact O-N 2.99Å; K207-A211 PolarHBondContact O-N 3.02Å |
| 208 | E | 95.3 | Very high | 91.8 | Very high | 127 Ų | 127 | 95.5 Ų | 95.5 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.8 | -50.7 | 176.8 | -170.6 | 165.6 | -153.1 | 0 | 0 | 111.2 | A204 A205 R210 A211 E212 | A204-E208 PolarHBondContact O-N 3.35Å; A205-E208 PolarHBondContact O-N 2.92Å; E208-R210 VanDerWaalsContact C-N 3.26Å; E208-R210 PolarHBondContact O-N 3.45Å; E208-A211 WeakPolarHBondContact O-CA 3.37Å; E208-A211 WeakPolarHBondContact O-CB 3.44Å; E208-A211 PolarHBondContact O-N 3.37Å; E208-E212 PolarHBondContact O-N 3.34Å |
| 209 | A | 93 | Very high | 92.5 | Very high | 51 Ų | 51 | 94.1 Ų | 94.1 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.5 | -35.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | A205 L213 | A205-A209 WeakPolarHBondContact O-CB 3.46Å; A205-A209 PolarHBondContact O-N 2.75Å; A209-L213 WeakPolarHBondContact O-CB 3.45Å; A209-L213 PolarHBondContact O-N 3.38Å |
| 210 | R | 94.2 | Very high | 93.2 | Very high | 175 Ų | 175 | 96.8 Ų | 96.8 | 66% | 0.66 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.4 | -38 | 173.7 | -79.3 | 177 | 176.4 | -179.2 | 0.9 | 112.5 | L206 K207 E208 A214 | L206-R210 WeakPolarHBondContact O-CB 3.27Å; L206-R210 VanDerWaalsContact O-CG 3.26Å; L206-R210 WeakPolarHBondContact O-CG 3.42Å; L206-R210 PolarHBondContact O-N 3.37Å; L206-R210 VanDerWaalsContact O-N 3.11Å; K207-R210 PolarHBondContact O-N 2.99Å; E208-R210 VanDerWaalsContact C-N 3.26Å; E208-R210 PolarHBondContact O-N 3.45Å; R210-A214 WeakPolarHBondContact O-CB 3.29Å; R210-A214 PolarHBondContact O-N 3.47Å |
| 211 | A | 95.1 | Very high | 93.8 | Very high | 56 Ų | 56 | 99.7 Ų | 99.7 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67 | -45.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K207 E208 L213 A214 E215 | K207-A211 PolarHBondContact O-N 3.02Å; E208-A211 WeakPolarHBondContact O-CA 3.37Å; E208-A211 WeakPolarHBondContact O-CB 3.44Å; E208-A211 PolarHBondContact O-N 3.37Å; A211-L213 VanDerWaalsContact C-N 3.33Å; A211-L213 PolarHBondContact O-N 3.3Å; A211-A214 WeakPolarHBondContact O-CB 3.42Å; A211-A214 PolarHBondContact O-N 2.97Å; A211-A214 VanDerWaalsContact O-N 3.12Å; A211-E215 PolarHBondContact O-N 3.45Å |
| 212 | E | 96.3 | Very high | 94.2 | Very high | 125 Ų | 125 | 97 Ų | 97 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.6 | -44.8 | 174.3 | -70 | -179.7 | 169.8 | 0 | 0 | 111.7 | E208 A214 E215 A216 | E208-E212 PolarHBondContact O-N 3.34Å; E212-A214 VanDerWaalsContact C-N 3.32Å; E212-A214 PolarHBondContact O-N 2.88Å; E212-E215 PolarHBondContact O-N 3.35Å; E212-A216 WeakPolarHBondContact O-CB 3.43Å; E212-A216 PolarHBondContact O-N 2.84Å |
| 213 | L | 96 | Very high | 94.7 | Very high | 90 Ų | 90 | 99.7 Ų | 99.7 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -33.8 | 177.3 | -172.7 | 144.3 | 0 | 0 | 0 | 112.5 | A209 A211 R217 | A209-L213 WeakPolarHBondContact O-CB 3.45Å; A209-L213 PolarHBondContact O-N 3.38Å; A211-L213 VanDerWaalsContact C-N 3.33Å; A211-L213 PolarHBondContact O-N 3.3Å; L213-R217 HydrophobicContact CD2-CG 4.48Å; L213-R217 WeakPolarHBondContact O-CB 3.45Å; L213-R217 VanDerWaalsContact O-CG 3.27Å; L213-R217 WeakPolarHBondContact O-CG 3.43Å; L213-R217 PolarHBondContact O-N 3.39Å |
| 214 | A | 95.4 | Very high | 94.9 | Very high | 52 Ų | 52 | 101.4 Ų | 101.4 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R210 A211 E212 R217 K218 | R210-A214 WeakPolarHBondContact O-CB 3.29Å; R210-A214 PolarHBondContact O-N 3.47Å; A211-A214 WeakPolarHBondContact O-CB 3.42Å; A211-A214 PolarHBondContact O-N 2.97Å; A211-A214 VanDerWaalsContact O-N 3.12Å; E212-A214 VanDerWaalsContact C-N 3.32Å; E212-A214 PolarHBondContact O-N 2.88Å; A214-R217 PolarHBondContact O-N 2.89Å; A214-K218 PolarHBondContact O-N 3.23Å |
| 215 | E | 96.9 | Very high | 95.3 | Very high | 101 Ų | 101 | 102.9 Ų | 102.9 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -44.8 | 175.2 | -73 | -57.7 | 151 | 0 | 0 | 111.7 | A211 E212 R217 K218 Q219 | A211-E215 PolarHBondContact O-N 3.45Å; E212-E215 PolarHBondContact O-N 3.35Å; E215-R217 VanDerWaalsContact C-N 3.29Å; E215-R217 PolarHBondContact O-N 2.88Å; E215-K218 WeakPolarHBondContact O-CA 3.47Å; E215-K218 WeakPolarHBondContact O-CB 3.39Å; E215-K218 PolarHBondContact O-N 3.49Å; E215-Q219 WeakPolarHBondContact O-CG 3.33Å; E215-Q219 PolarHBondContact O-N 2.85Å |
| 216 | A | 96 | Very high | 95.5 | Very high | 53 Ų | 53 | 105.2 Ų | 105.2 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E212 Q219 W220 | E212-A216 WeakPolarHBondContact O-CB 3.43Å; E212-A216 PolarHBondContact O-N 2.84Å; A216-Q219 PolarHBondContact O-N 3.37Å; A216-W220 WeakPolarHBondContact O-CB 3.42Å; A216-W220 PolarHBondContact O-N 2.98Å |
| 217 | R | 96.4 | Very high | 95.6 | Very high | 144 Ų | 144 | 105.6 Ų | 105.6 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 173.9 | -78 | 176.1 | 176.1 | 177.5 | 0.1 | 112.7 | L213 A214 E215 R221 | L213-R217 HydrophobicContact CD2-CG 4.48Å; L213-R217 WeakPolarHBondContact O-CB 3.45Å; L213-R217 VanDerWaalsContact O-CG 3.27Å; L213-R217 WeakPolarHBondContact O-CG 3.43Å; L213-R217 PolarHBondContact O-N 3.39Å; A214-R217 PolarHBondContact O-N 2.89Å; E215-R217 VanDerWaalsContact C-N 3.29Å; E215-R217 PolarHBondContact O-N 2.88Å; R217-R221 WeakPolarHBondContact O-CG 3.37Å; R217-R221 PolarHBondContact O-N 2.9Å |
| 218 | K | 96.9 | Very high | 95.7 | Very high | 133 Ų | 133 | 103.5 Ų | 103.5 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -44.9 | 176.8 | -174.5 | -176.7 | 174.3 | -171 | 0 | 110.8 | A214 E215 R221 S222 | A214-K218 PolarHBondContact O-N 3.23Å; E215-K218 WeakPolarHBondContact O-CA 3.47Å; E215-K218 WeakPolarHBondContact O-CB 3.39Å; E215-K218 PolarHBondContact O-N 3.49Å; K218-R221 PolarHBondContact O-N 2.93Å; K218-S222 PolarHBondContact O-N 3.27Å |
| 219 | Q | 97.6 | Very high | 95.5 | Very high | 124 Ų | 124 | 101.4 Ų | 101.4 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.1 | -46.6 | 174.1 | -69.8 | 173.8 | -2.1 | 0 | 0 | 111.3 | E215 A216 R221 S222 L223 | E215-Q219 WeakPolarHBondContact O-CG 3.33Å; E215-Q219 PolarHBondContact O-N 2.85Å; A216-Q219 PolarHBondContact O-N 3.37Å; Q219-R221 PolarHBondContact O-N 3.23Å; Q219-S222 WeakPolarHBondContact O-CB 3.27Å; Q219-S222 PolarHBondContact O-N 2.83Å; Q219-S222 VanDerWaalsContact O-N 3.14Å; Q219-L223 WeakPolarHBondContact O-CG 3.26Å; Q219-L223 PolarHBondContact O-N 3.37Å |
| 220 | W | 97.2 | Very high | 95.5 | Very high | 158 Ų | 158 | 103.7 Ų | 103.7 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.9 | -45.5 | 176.3 | 177.6 | 80 | 0 | 0 | 0 | 112.3 | A216 S222 L223 Q224 | A216-W220 WeakPolarHBondContact O-CB 3.42Å; A216-W220 PolarHBondContact O-N 2.98Å; W220-S222 VanDerWaalsContact C-N 3.34Å; W220-S222 PolarHBondContact O-N 2.86Å; W220-L223 PolarHBondContact O-N 3.31Å; W220-Q224 WeakPolarHBondContact O-CB 3.43Å; W220-Q224 PolarHBondContact O-N 3.02Å |
| 221 | R | 94.4 | Very high | 95.4 | Very high | 144 Ų | 144 | 99.5 Ų | 99.5 | 54% | 0.543 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 175.7 | -71.7 | -174.9 | -164.5 | 104.4 | -5.4 | 112.5 | R217 K218 Q219 Q224 V225 | R217-R221 WeakPolarHBondContact O-CG 3.37Å; R217-R221 PolarHBondContact O-N 2.9Å; K218-R221 PolarHBondContact O-N 2.93Å; Q219-R221 PolarHBondContact O-N 3.23Å; R221-Q224 PolarHBondContact O-N 3.49Å; R221-V225 WeakPolarHBondContact O-CG2 3.32Å; R221-V225 PolarHBondContact O-N 2.89Å |
| 222 | S | 96.1 | Very high | 95.1 | Very high | 75 Ų | 75 | 99.9 Ų | 99.9 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 176.7 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | K218 Q219 W220 Q224 V225 E226 | K218-S222 PolarHBondContact O-N 3.27Å; Q219-S222 WeakPolarHBondContact O-CB 3.27Å; Q219-S222 PolarHBondContact O-N 2.83Å; Q219-S222 VanDerWaalsContact O-N 3.14Å; W220-S222 VanDerWaalsContact C-N 3.34Å; W220-S222 PolarHBondContact O-N 2.86Å; S222-Q224 VanDerWaalsContact C-N 3.32Å; S222-Q224 PolarHBondContact O-N 3.04Å; S222-V225 PolarHBondContact O-N 3.14Å; S222-E226 PolarHBondContact O-N 3.46Å |
| 223 | L | 96.1 | Very high | 94.7 | Very high | 99 Ų | 99 | 98.8 Ų | 98.8 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 177.2 | -70.7 | 171.9 | 0 | 0 | 0 | 111.8 | Q219 W220 E226 I227 | Q219-L223 WeakPolarHBondContact O-CG 3.26Å; Q219-L223 PolarHBondContact O-N 3.37Å; W220-L223 PolarHBondContact O-N 3.31Å; L223-E226 PolarHBondContact O-N 3.41Å; L223-I227 VanDerWaalsContact O-CG1 3.26Å; L223-I227 WeakPolarHBondContact O-CG1 3.29Å; L223-I227 PolarHBondContact O-N 2.96Å |
| 224 | Q | 95.1 | Very high | 94.5 | Very high | 68 Ų | 68 | 99.2 Ų | 99.2 | 32% | 0.318 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 176.5 | -177.3 | 62.9 | 22.8 | 0 | 0 | 111.6 | W220 R221 S222 E226 I227 E228 | W220-Q224 WeakPolarHBondContact O-CB 3.43Å; W220-Q224 PolarHBondContact O-N 3.02Å; R221-Q224 PolarHBondContact O-N 3.49Å; S222-Q224 VanDerWaalsContact C-N 3.32Å; S222-Q224 PolarHBondContact O-N 3.04Å; Q224-E226 VanDerWaalsContact C-N 3.34Å; Q224-I227 PolarHBondContact O-N 3.36Å; Q224-E228 PolarHBondContact NE2-OE1 3.38Å; Q224-E228 WeakPolarHBondContact O-CG 3.45Å; Q224-E228 PolarHBondContact O-N 3.32Å |
| 225 | V | 96.5 | Very high | 94.1 | Very high | 84 Ų | 84 | 101.8 Ų | 101.8 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | R221 S222 I227 E228 T229 | R221-V225 WeakPolarHBondContact O-CG2 3.32Å; R221-V225 PolarHBondContact O-N 2.89Å; S222-V225 PolarHBondContact O-N 3.14Å; V225-I227 PolarHBondContact O-N 2.96Å; V225-E228 PolarHBondContact O-N 2.89Å; V225-T229 HydrophobicContact CG1-CG2 4.23Å; V225-T229 VanDerWaalsContact O-CG2 3.29Å; V225-T229 WeakPolarHBondContact O-CG2 3.31Å; V225-T229 PolarHBondContact O-N 3.04Å; V225-T229 PolarHBondContact O-OG1 2.82Å |
| 226 | E | 95.4 | Very high | 93.7 | Very high | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 177.1 | -170.1 | 173.5 | -175.2 | 0 | 0 | 111.5 | S222 L223 Q224 E228 T229 L230 | S222-E226 PolarHBondContact O-N 3.46Å; L223-E226 PolarHBondContact O-N 3.41Å; Q224-E226 VanDerWaalsContact C-N 3.34Å; E226-E228 PolarHBondContact O-N 2.92Å; E226-T229 WeakPolarHBondContact CA-OG1 3.42Å; E226-T229 PolarHBondContact O-N 2.86Å; E226-T229 PolarHBondContact O-OG1 3Å; E226-L230 HydrophobicContact CG-CD1 4.25Å; E226-L230 WeakPolarHBondContact O-CB 3.5Å; E226-L230 WeakPolarHBondContact O-CG 3.24Å; E226-L230 PolarHBondContact O-N 3.42Å |
| 227 | I | 95.3 | Very high | 93.2 | Very high | 101 Ų | 101 | 101.7 Ų | 101.7 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 174.7 | -69.7 | 165.2 | 0 | 0 | 0 | 111.1 | L223 Q224 V225 T229 L230 H231 | L223-I227 VanDerWaalsContact O-CG1 3.26Å; L223-I227 WeakPolarHBondContact O-CG1 3.29Å; L223-I227 PolarHBondContact O-N 2.96Å; Q224-I227 PolarHBondContact O-N 3.36Å; V225-I227 PolarHBondContact O-N 2.96Å; I227-T229 VanDerWaalsContact C-N 3.33Å; I227-T229 PolarHBondContact O-N 3.35Å; I227-L230 PolarHBondContact O-N 2.91Å; I227-H231 WeakPolarHBondContact O-CB 3.48Å; I227-H231 PolarHBondContact O-N 3.21Å |
| 228 | E | 94.2 | Very high | 92.9 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 178.8 | -73.7 | 168.8 | -166.5 | 0 | 0 | 111.8 | Q224 V225 E226 H231 A232 | Q224-E228 PolarHBondContact NE2-OE1 3.38Å; Q224-E228 WeakPolarHBondContact O-CG 3.45Å; Q224-E228 PolarHBondContact O-N 3.32Å; V225-E228 PolarHBondContact O-N 2.89Å; E226-E228 PolarHBondContact O-N 2.92Å; E228-H231 PolarHBondContact O-N 3.46Å; E228-A232 WeakPolarHBondContact O-CB 3.33Å; E228-A232 PolarHBondContact O-N 2.85Å |
| 229 | T | 91.1 | Very high | 92.6 | Very high | 82 Ų | 82 | 97.1 Ų | 97.1 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 176.4 | 62.4 | 0 | 0 | 0 | 0 | 113 | V225 E226 I227 H231 A232 L233 | V225-T229 HydrophobicContact CG1-CG2 4.23Å; V225-T229 VanDerWaalsContact O-CG2 3.29Å; V225-T229 WeakPolarHBondContact O-CG2 3.31Å; V225-T229 PolarHBondContact O-N 3.04Å; V225-T229 PolarHBondContact O-OG1 2.82Å; E226-T229 WeakPolarHBondContact CA-OG1 3.42Å; E226-T229 PolarHBondContact O-N 2.86Å; E226-T229 PolarHBondContact O-OG1 3Å; I227-T229 VanDerWaalsContact C-N 3.33Å; I227-T229 PolarHBondContact O-N 3.35Å; T229-H231 VanDerWaalsContact C-N 3.33Å; T229-A232 PolarHBondContact O-N 3.22Å; T229-L233 WeakPolarHBondContact O-CB 3.46Å; T229-L233 PolarHBondContact O-N 3.33Å |
| 230 | L | 93.1 | Very high | 91.8 | Very high | 99 Ų | 99 | 94.6 Ų | 94.6 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 176.5 | -73 | 174.4 | 0 | 0 | 0 | 111 | E226 I227 L233 E234 | E226-L230 HydrophobicContact CG-CD1 4.25Å; E226-L230 WeakPolarHBondContact O-CB 3.5Å; E226-L230 WeakPolarHBondContact O-CG 3.24Å; E226-L230 PolarHBondContact O-N 3.42Å; I227-L230 PolarHBondContact O-N 2.91Å; L230-L233 WeakPolarHBondContact O-CB 3.41Å; L230-L233 PolarHBondContact O-N 3.32Å; L230-E234 WeakPolarHBondContact O-CB 3.44Å; L230-E234 PolarHBondContact O-N 2.97Å |
| 231 | H | 91.6 | Very high | 91.4 | Very high | 88 Ų | 88 | 91.7 Ų | 91.7 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.9 | -34 | 177.6 | -167.4 | 57.4 | 0 | 0 | 0 | 112.6 | I227 E228 T229 E234 K235 | I227-H231 WeakPolarHBondContact O-CB 3.48Å; I227-H231 PolarHBondContact O-N 3.21Å; E228-H231 PolarHBondContact O-N 3.46Å; T229-H231 VanDerWaalsContact C-N 3.33Å; H231-E234 IonicContact CE1-OE2 2.76Å; H231-E234 IonicContact ND1-OE2 3.1Å; H231-E234 PolarHBondContact ND1-OE2 3.45Å; H231-K235 PolarHBondContact CD2-NZ 3.4Å; H231-K235 WeakPolarHBondContact NE2-CE 3.44Å; H231-K235 PolarHBondContact NE2-NZ 2.92Å; H231-K235 WeakPolarHBondContact O-CG 3.32Å; H231-K235 PolarHBondContact O-N 2.9Å; H231-K235 VanDerWaalsContact O-N 3.09Å |
| 232 | A | 89.5 | Confident | 91.2 | Very high | 63 Ų | 63 | 90 Ų | 90 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | E228 T229 G236 | E228-A232 WeakPolarHBondContact O-CB 3.33Å; E228-A232 PolarHBondContact O-N 2.85Å; T229-A232 PolarHBondContact O-N 3.22Å; A232-G236 PolarHBondContact O-N 2.97Å |
| 233 | L | 88.4 | Confident | 90.9 | Very high | 103 Ų | 103 | 91.5 Ų | 91.5 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 175.3 | 178.5 | 63.9 | 0 | 0 | 0 | 111.6 | T229 L230 K235 G236 L237 | T229-L233 WeakPolarHBondContact O-CB 3.46Å; T229-L233 PolarHBondContact O-N 3.33Å; L230-L233 WeakPolarHBondContact O-CB 3.41Å; L230-L233 PolarHBondContact O-N 3.32Å; L233-K235 PolarHBondContact O-N 2.76Å; L233-G236 PolarHBondContact O-N 2.97Å; L233-G236 VanDerWaalsContact O-N 3.14Å; L233-L237 HydrophobicContact CD1-CD1 4.41Å; L233-L237 HydrophobicContact CD1-CG 4.35Å; L233-L237 HydrophobicContact CG-CD1 4.2Å; L233-L237 WeakPolarHBondContact O-CG 3.26Å; L233-L237 PolarHBondContact O-N 3.32Å |
| 234 | E | 91.4 | Very high | 90.4 | Very high | 98 Ų | 98 | 89.3 Ų | 89.3 | 46% | 0.458 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -53 | -53.3 | 175.6 | -179.9 | -176.7 | -156.4 | 0 | 0 | 111 | L230 H231 G236 L237 E238 | L230-E234 WeakPolarHBondContact O-CB 3.44Å; L230-E234 PolarHBondContact O-N 2.97Å; H231-E234 IonicContact CE1-OE2 2.76Å; H231-E234 IonicContact ND1-OE2 3.1Å; H231-E234 PolarHBondContact ND1-OE2 3.45Å; E234-G236 VanDerWaalsContact C-N 3.31Å; E234-G236 PolarHBondContact O-N 2.96Å; E234-L237 PolarHBondContact O-N 3.31Å; E234-L237 VanDerWaalsContact O-N 3.11Å; E234-E238 WeakPolarHBondContact O-CG 3.38Å; E234-E238 PolarHBondContact O-N 3.11Å |
| 235 | K | 87.4 | Confident | 90.2 | Very high | 107 Ų | 107 | 91.1 Ų | 91.1 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.9 | -41.4 | 176.2 | -77.3 | 172.6 | 167.7 | 163.7 | 0 | 112.9 | H231 L233 L237 E238 C239 | H231-K235 PolarHBondContact CD2-NZ 3.4Å; H231-K235 WeakPolarHBondContact NE2-CE 3.44Å; H231-K235 PolarHBondContact NE2-NZ 2.92Å; H231-K235 WeakPolarHBondContact O-CG 3.32Å; H231-K235 PolarHBondContact O-N 2.9Å; H231-K235 VanDerWaalsContact O-N 3.09Å; L233-K235 PolarHBondContact O-N 2.76Å; K235-L237 VanDerWaalsContact C-N 3.34Å; K235-E238 PolarHBondContact O-N 3.1Å; K235-C239 WeakPolarHBondContact O-CB 3.3Å; K235-C239 PolarHBondContact O-N 3.12Å; K235-C239 PolarHBondContact O-SG 3.04Å |
| 236 | G | 87.4 | Confident | 90 | Very high | 41 Ų | 41 | 93 Ų | 93 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A232 L233 E234 S240 | A232-G236 PolarHBondContact O-N 2.97Å; L233-G236 PolarHBondContact O-N 2.97Å; L233-G236 VanDerWaalsContact O-N 3.14Å; E234-G236 VanDerWaalsContact C-N 3.31Å; E234-G236 PolarHBondContact O-N 2.96Å; G236-S240 WeakPolarHBondContact O-CB 3.37Å; G236-S240 PolarHBondContact O-N 2.85Å |
| 237 | L | 85.4 | Confident | 89.9 | Confident | 111 Ų | 111 | 91.9 Ų | 91.9 | 58% | 0.581 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.9 | -41.8 | 176.7 | -67.7 | 174.7 | 0 | 0 | 0 | 111.9 | L233 E234 K235 S240 L241 | L233-L237 HydrophobicContact CD1-CD1 4.41Å; L233-L237 HydrophobicContact CD1-CG 4.35Å; L233-L237 HydrophobicContact CG-CD1 4.2Å; L233-L237 WeakPolarHBondContact O-CG 3.26Å; L233-L237 PolarHBondContact O-N 3.32Å; E234-L237 PolarHBondContact O-N 3.31Å; E234-L237 VanDerWaalsContact O-N 3.11Å; K235-L237 VanDerWaalsContact C-N 3.34Å; L237-S240 PolarHBondContact O-N 2.91Å; L237-L241 WeakPolarHBondContact O-CB 3.42Å; L237-L241 PolarHBondContact O-N 3.01Å |
| 238 | E | 90.3 | Very high | 89.5 | Confident | 100 Ų | 100 | 94.2 Ų | 94.2 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 174.9 | -72.2 | -178.9 | 153.9 | 0 | 0 | 111.8 | E234 K235 S240 L241 Q242 | E234-E238 WeakPolarHBondContact O-CG 3.38Å; E234-E238 PolarHBondContact O-N 3.11Å; K235-E238 PolarHBondContact O-N 3.1Å; E238-S240 PolarHBondContact O-N 2.78Å; E238-L241 PolarHBondContact O-N 3.29Å; E238-Q242 WeakPolarHBondContact O-CB 3.35Å; E238-Q242 WeakPolarHBondContact O-CG 3.4Å; E238-Q242 PolarHBondContact O-N 3.03Å |
| 239 | C | 90.7 | Very high | 89.5 | Confident | 81 Ų | 81 | 93.1 Ų | 93.1 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.8 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | K235 L241 Q242 H243 | K235-C239 WeakPolarHBondContact O-CB 3.3Å; K235-C239 PolarHBondContact O-N 3.12Å; K235-C239 PolarHBondContact O-SG 3.04Å; C239-L241 VanDerWaalsContact C-N 3.32Å; C239-L241 PolarHBondContact O-N 3Å; C239-Q242 PolarHBondContact O-N 3.43Å; C239-H243 WeakPolarHBondContact O-CB 3.35Å; C239-H243 PolarHBondContact O-N 2.83Å |
| 240 | S | 81.9 | Confident | 89.6 | Confident | 70 Ų | 70 | 92.2 Ų | 92.2 | 49% | 0.49 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -37.9 | 176.1 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | G236 L237 E238 T244 | G236-S240 WeakPolarHBondContact O-CB 3.37Å; G236-S240 PolarHBondContact O-N 2.85Å; L237-S240 PolarHBondContact O-N 2.91Å; E238-S240 PolarHBondContact O-N 2.78Å; S240-T244 WeakPolarHBondContact O-CG2 3.48Å; S240-T244 PolarHBondContact O-N 2.94Å; S240-T244 PolarHBondContact O-OG1 3.1Å |
| 241 | L | 88.4 | Confident | 89.7 | Confident | 97 Ų | 97 | 92.4 Ų | 92.4 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.4 | -47.9 | 176.9 | -179.2 | 65.2 | 0 | 0 | 0 | 110.8 | L237 E238 C239 H243 T244 Q245 | L237-L241 WeakPolarHBondContact O-CB 3.42Å; L237-L241 PolarHBondContact O-N 3.01Å; E238-L241 PolarHBondContact O-N 3.29Å; C239-L241 VanDerWaalsContact C-N 3.32Å; C239-L241 PolarHBondContact O-N 3Å; L241-H243 VanDerWaalsContact C-N 3.34Å; L241-H243 PolarHBondContact O-N 2.92Å; L241-T244 PolarHBondContact O-N 3.31Å; L241-T244 PolarHBondContact O-OG1 3.18Å; L241-Q245 HydrophobicContact CD1-CG 4.46Å; L241-Q245 WeakPolarHBondContact O-CB 3.33Å; L241-Q245 VanDerWaalsContact O-CG 3.28Å; L241-Q245 WeakPolarHBondContact O-CG 3.49Å; L241-Q245 PolarHBondContact O-N 2.94Å |
| 242 | Q | 90.7 | Very high | 89.8 | Confident | 109 Ų | 109 | 93.3 Ų | 93.3 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 176.1 | -73.4 | 173.9 | -2.5 | 0 | 0 | 111.3 | E238 C239 T244 Q245 E246 | E238-Q242 WeakPolarHBondContact O-CB 3.35Å; E238-Q242 WeakPolarHBondContact O-CG 3.4Å; E238-Q242 PolarHBondContact O-N 3.03Å; C239-Q242 PolarHBondContact O-N 3.43Å; Q242-T244 PolarHBondContact O-N 2.97Å; Q242-Q245 PolarHBondContact O-N 3.43Å; Q242-E246 WeakPolarHBondContact O-CB 3.47Å; Q242-E246 WeakPolarHBondContact O-CG 3.41Å; Q242-E246 PolarHBondContact O-N 3.37Å |
| 243 | H | 89.4 | Confident | 90.2 | Very high | 106 Ų | 106 | 95.6 Ų | 95.6 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 178.3 | -176.3 | 59.5 | 0 | 0 | 0 | 112.3 | C239 L241 E246 L247 | C239-H243 WeakPolarHBondContact O-CB 3.35Å; C239-H243 PolarHBondContact O-N 2.83Å; L241-H243 VanDerWaalsContact C-N 3.34Å; L241-H243 PolarHBondContact O-N 2.92Å; H243-E246 PolarHBondContact O-N 2.96Å; H243-L247 WeakPolarHBondContact NE2-CD1 3.37Å; H243-L247 VanDerWaalsContact O-CG 3.28Å; H243-L247 WeakPolarHBondContact O-CG 3.41Å; H243-L247 PolarHBondContact O-N 3.43Å |
| 244 | T | 84.8 | Confident | 90.5 | Very high | 54 Ų | 54 | 94.5 Ų | 94.5 | 33% | 0.331 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 177.2 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | S240 L241 Q242 L247 Y248 | S240-T244 WeakPolarHBondContact O-CG2 3.48Å; S240-T244 PolarHBondContact O-N 2.94Å; S240-T244 PolarHBondContact O-OG1 3.1Å; L241-T244 PolarHBondContact O-N 3.31Å; L241-T244 PolarHBondContact O-OG1 3.18Å; Q242-T244 PolarHBondContact O-N 2.97Å; T244-L247 PolarHBondContact O-N 2.88Å; T244-Y248 WeakPolarHBondContact O-CD2 3.3Å; T244-Y248 PolarHBondContact O-N 3.22Å |
| 245 | Q | 90.8 | Very high | 90.6 | Very high | 105 Ų | 105 | 94.9 Ų | 94.9 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 174.1 | -74.3 | 172.9 | -11 | 0 | 0 | 111.9 | L241 Q242 L247 Y248 T249 | L241-Q245 HydrophobicContact CD1-CG 4.46Å; L241-Q245 WeakPolarHBondContact O-CB 3.33Å; L241-Q245 VanDerWaalsContact O-CG 3.28Å; L241-Q245 WeakPolarHBondContact O-CG 3.49Å; L241-Q245 PolarHBondContact O-N 2.94Å; Q242-Q245 PolarHBondContact O-N 3.43Å; Q245-L247 VanDerWaalsContact C-N 3.35Å; Q245-L247 PolarHBondContact O-N 3.08Å; Q245-Y248 PolarHBondContact O-N 3.15Å; Q245-T249 VanDerWaalsContact O-CG2 3.27Å; Q245-T249 WeakPolarHBondContact O-CG2 3.4Å; Q245-T249 PolarHBondContact O-N 2.93Å; Q245-T249 PolarHBondContact O-OG1 3.02Å |
| 246 | E | 92 | Very high | 91 | Very high | 124 Ų | 124 | 92.8 Ų | 92.8 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61 | -41.2 | 177.2 | -73.9 | 173.8 | 179.2 | 0 | 0 | 112.6 | Q242 H243 T249 S250 | Q242-E246 WeakPolarHBondContact O-CB 3.47Å; Q242-E246 WeakPolarHBondContact O-CG 3.41Å; Q242-E246 PolarHBondContact O-N 3.37Å; H243-E246 PolarHBondContact O-N 2.96Å; E246-T249 WeakPolarHBondContact CA-OG1 3.3Å; E246-T249 PolarHBondContact O-N 3.37Å; E246-T249 PolarHBondContact O-OG1 3.34Å; E246-S250 WeakPolarHBondContact O-CB 3.36Å; E246-S250 PolarHBondContact O-N 3.44Å |
| 247 | L | 94.3 | Very high | 91.5 | Very high | 80 Ų | 80 | 96.2 Ų | 96.2 | 42% | 0.419 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 175.2 | -72.8 | 174.6 | 0 | 0 | 0 | 111.4 | H243 T244 Q245 S250 Q251 | H243-L247 WeakPolarHBondContact NE2-CD1 3.37Å; H243-L247 VanDerWaalsContact O-CG 3.28Å; H243-L247 WeakPolarHBondContact O-CG 3.41Å; H243-L247 PolarHBondContact O-N 3.43Å; T244-L247 PolarHBondContact O-N 2.88Å; Q245-L247 VanDerWaalsContact C-N 3.35Å; Q245-L247 PolarHBondContact O-N 3.08Å; L247-S250 PolarHBondContact O-N 3.33Å; L247-Q251 WeakPolarHBondContact O-CG 3.42Å; L247-Q251 PolarHBondContact O-N 2.89Å |
| 248 | Y | 87 | Confident | 92.1 | Very high | 149 Ų | 149 | 95 Ų | 95 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.8 | -36.6 | 179.8 | -75.5 | -60.4 | 0 | 0 | 0 | 112.6 | T244 Q245 Q251 L252 | T244-Y248 WeakPolarHBondContact O-CD2 3.3Å; T244-Y248 PolarHBondContact O-N 3.22Å; Q245-Y248 PolarHBondContact O-N 3.15Å; Y248-Q251 PolarHBondContact O-N 3.44Å; Y248-L252 WeakPolarHBondContact O-CB 3.42Å; Y248-L252 VanDerWaalsContact O-CG 3.28Å; Y248-L252 WeakPolarHBondContact O-CG 3.49Å; Y248-L252 PolarHBondContact O-N 2.85Å |
| 249 | T | 94.3 | Very high | 92.4 | Very high | 88 Ų | 88 | 94.5 Ų | 94.5 | 54% | 0.54 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 175.7 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | Q245 E246 L252 H253 | Q245-T249 VanDerWaalsContact O-CG2 3.27Å; Q245-T249 WeakPolarHBondContact O-CG2 3.4Å; Q245-T249 PolarHBondContact O-N 2.93Å; Q245-T249 PolarHBondContact O-OG1 3.02Å; E246-T249 WeakPolarHBondContact CA-OG1 3.3Å; E246-T249 PolarHBondContact O-N 3.37Å; E246-T249 PolarHBondContact O-OG1 3.34Å; T249-L252 PolarHBondContact O-N 3.1Å; T249-H253 WeakPolarHBondContact O-CB 3.46Å; T249-H253 PolarHBondContact O-N 3.01Å |
| 250 | S | 92.8 | Very high | 92.8 | Very high | 63 Ų | 63 | 95.1 Ų | 95.1 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 172.3 | -170 | 0 | 0 | 0 | 0 | 111.4 | E246 L247 L252 H253 D254 | E246-S250 WeakPolarHBondContact O-CB 3.36Å; E246-S250 PolarHBondContact O-N 3.44Å; L247-S250 PolarHBondContact O-N 3.33Å; S250-L252 VanDerWaalsContact C-N 3.33Å; S250-L252 PolarHBondContact O-N 2.95Å; S250-H253 WeakPolarHBondContact O-CB 3.44Å; S250-H253 PolarHBondContact O-N 3.31Å; S250-H253 VanDerWaalsContact O-N 3.1Å; S250-D254 VanDerWaalsContact O-CG 3.24Å; S250-D254 PolarHBondContact O-N 3.46Å |
| 251 | Q | 95 | Very high | 93.6 | Very high | 103 Ų | 103 | 93.4 Ų | 93.4 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 178.6 | -72.8 | 175.4 | 6.3 | 0 | 0 | 112.4 | L247 Y248 H253 D254 L255 | L247-Q251 WeakPolarHBondContact O-CG 3.42Å; L247-Q251 PolarHBondContact O-N 2.89Å; Y248-Q251 PolarHBondContact O-N 3.44Å; Q251-H253 VanDerWaalsContact C-N 3.31Å; Q251-D254 PolarHBondContact O-N 2.97Å; Q251-L255 WeakPolarHBondContact O-CB 3.36Å; Q251-L255 WeakPolarHBondContact O-CG 3.32Å; Q251-L255 PolarHBondContact O-N 3.43Å |
| 252 | L | 94.8 | Very high | 94 | Very high | 108 Ų | 108 | 93.7 Ų | 93.7 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -37 | 175.4 | -75.1 | 171.9 | 0 | 0 | 0 | 111.8 | Y248 T249 S250 S256 | Y248-L252 WeakPolarHBondContact O-CB 3.42Å; Y248-L252 VanDerWaalsContact O-CG 3.28Å; Y248-L252 WeakPolarHBondContact O-CG 3.49Å; Y248-L252 PolarHBondContact O-N 2.85Å; T249-L252 PolarHBondContact O-N 3.1Å; S250-L252 VanDerWaalsContact C-N 3.33Å; S250-L252 PolarHBondContact O-N 2.95Å; L252-S256 VanDerWaalsContact O-CB 3.32Å; L252-S256 WeakPolarHBondContact O-CB 3.36Å; L252-S256 PolarHBondContact O-N 2.91Å; L252-S256 PolarHBondContact O-OG 3.4Å |
| 253 | H | 96.3 | Very high | 94.4 | Very high | 111 Ų | 111 | 94.4 Ų | 94.4 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -47.5 | 175.3 | -174 | 71.5 | 0 | 0 | 0 | 111.2 | T249 S250 Q251 L255 S256 Q257 | T249-H253 WeakPolarHBondContact O-CB 3.46Å; T249-H253 PolarHBondContact O-N 3.01Å; S250-H253 WeakPolarHBondContact O-CB 3.44Å; S250-H253 PolarHBondContact O-N 3.31Å; S250-H253 VanDerWaalsContact O-N 3.1Å; Q251-H253 VanDerWaalsContact C-N 3.31Å; H253-L255 PolarHBondContact O-N 2.91Å; H253-S256 WeakPolarHBondContact O-CB 3.49Å; H253-S256 PolarHBondContact O-N 3.24Å; H253-S256 VanDerWaalsContact O-N 3.15Å; H253-Q257 PolarHBondContact CD2-NE2 3.28Å; H253-Q257 VanDerWaalsContact CD2-NE2 3.34Å; H253-Q257 PolarHBondContact NE2-NE2 2.98Å; H253-Q257 WeakPolarHBondContact O-CG 3.28Å; H253-Q257 PolarHBondContact O-N 2.92Å |
| 254 | D | 94.8 | Very high | 94.8 | Very high | 80 Ų | 80 | 93 Ų | 93 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 178.5 | -62.5 | -24.5 | 0 | 0 | 0 | 111.4 | S250 Q251 S256 Q257 V258 | S250-D254 VanDerWaalsContact O-CG 3.24Å; S250-D254 PolarHBondContact O-N 3.46Å; Q251-D254 PolarHBondContact O-N 2.97Å; D254-S256 VanDerWaalsContact C-N 3.31Å; D254-S256 PolarHBondContact O-N 2.93Å; D254-Q257 WeakPolarHBondContact O-CB 3.37Å; D254-Q257 PolarHBondContact O-N 3.44Å; D254-V258 WeakPolarHBondContact O-CG2 3.35Å; D254-V258 PolarHBondContact O-N 3.43Å; D254-V258 VanDerWaalsContact O-N 3.07Å |
| 255 | L | 95.1 | Very high | 95.4 | Very high | 106 Ų | 106 | 96.2 Ų | 96.2 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -40.3 | 175 | -71.7 | 174.4 | 0 | 0 | 0 | 111.8 | Q251 H253 Q257 V258 I259 | Q251-L255 WeakPolarHBondContact O-CB 3.36Å; Q251-L255 WeakPolarHBondContact O-CG 3.32Å; Q251-L255 PolarHBondContact O-N 3.43Å; H253-L255 PolarHBondContact O-N 2.91Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 3.44Å; L255-V258 PolarHBondContact O-N 2.96Å; L255-I259 VanDerWaalsContact O-CG1 3.32Å; L255-I259 WeakPolarHBondContact O-CG1 3.07Å; L255-I259 PolarHBondContact O-N 3.46Å |
| 256 | S | 95.5 | Very high | 95.8 | Very high | 62 Ų | 62 | 95.3 Ų | 95.3 | 43% | 0.434 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 176.6 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | L252 H253 D254 I259 V260 | L252-S256 VanDerWaalsContact O-CB 3.32Å; L252-S256 WeakPolarHBondContact O-CB 3.36Å; L252-S256 PolarHBondContact O-N 2.91Å; L252-S256 PolarHBondContact O-OG 3.4Å; H253-S256 WeakPolarHBondContact O-CB 3.49Å; H253-S256 PolarHBondContact O-N 3.24Å; H253-S256 VanDerWaalsContact O-N 3.15Å; D254-S256 VanDerWaalsContact C-N 3.31Å; D254-S256 PolarHBondContact O-N 2.93Å; S256-I259 PolarHBondContact O-N 3.42Å; S256-V260 WeakPolarHBondContact O-CG2 3.5Å; S256-V260 PolarHBondContact O-N 2.97Å |
| 257 | Q | 97.6 | Very high | 96.1 | Very high | 113 Ų | 113 | 94.5 Ų | 94.5 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 174.8 | -69.8 | -174.5 | 6.8 | 0 | 0 | 111.9 | H253 D254 L255 V260 G261 | H253-Q257 PolarHBondContact CD2-NE2 3.28Å; H253-Q257 VanDerWaalsContact CD2-NE2 3.34Å; H253-Q257 PolarHBondContact NE2-NE2 2.98Å; H253-Q257 WeakPolarHBondContact O-CG 3.28Å; H253-Q257 PolarHBondContact O-N 2.92Å; D254-Q257 WeakPolarHBondContact O-CB 3.37Å; D254-Q257 PolarHBondContact O-N 3.44Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 3.44Å; Q257-V260 PolarHBondContact O-N 2.95Å; Q257-G261 PolarHBondContact O-N 3.18Å |
| 258 | V | 97.9 | Very high | 96.3 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | D254 L255 G261 L262 | D254-V258 WeakPolarHBondContact O-CG2 3.35Å; D254-V258 PolarHBondContact O-N 3.43Å; D254-V258 VanDerWaalsContact O-N 3.07Å; L255-V258 PolarHBondContact O-N 2.96Å; V258-G261 PolarHBondContact O-N 2.95Å; V258-L262 HydrophobicContact CG1-CD1 4.04Å; V258-L262 HydrophobicContact CG1-CG 4.43Å; V258-L262 WeakPolarHBondContact O-CG 3.34Å; V258-L262 PolarHBondContact O-N 3.23Å |
| 259 | I | 96.8 | Very high | 96.8 | Very high | 91 Ų | 91 | 95.2 Ų | 95.2 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 176.9 | -69.1 | 165.6 | 0 | 0 | 0 | 110.4 | L255 S256 G261 L262 E263 | L255-I259 VanDerWaalsContact O-CG1 3.32Å; L255-I259 WeakPolarHBondContact O-CG1 3.07Å; L255-I259 PolarHBondContact O-N 3.46Å; S256-I259 PolarHBondContact O-N 3.42Å; I259-G261 VanDerWaalsContact C-N 3.29Å; I259-G261 PolarHBondContact O-N 3.43Å; I259-L262 PolarHBondContact O-N 2.65Å; I259-E263 HydrophobicContact CG2-CG 4.31Å; I259-E263 WeakPolarHBondContact O-CB 3.38Å; I259-E263 WeakPolarHBondContact O-CG 3.34Å; I259-E263 PolarHBondContact O-N 3.18Å |
| 260 | V | 98.3 | Very high | 97 | Very high | 93 Ų | 93 | 98.5 Ų | 98.5 | 56% | 0.564 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.6 | -39.7 | 178.6 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | S256 Q257 E263 S264 | S256-V260 WeakPolarHBondContact O-CG2 3.5Å; S256-V260 PolarHBondContact O-N 2.97Å; Q257-V260 PolarHBondContact O-N 2.95Å; V260-E263 PolarHBondContact O-N 2.88Å; V260-S264 WeakPolarHBondContact O-CB 3.41Å; V260-S264 PolarHBondContact O-N 3.42Å |
| 261 | G | 98.3 | Very high | 97.3 | Very high | 35 Ų | 35 | 98.2 Ų | 98.2 | 36% | 0.361 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q257 V258 I259 E263 S264 E265 | Q257-G261 PolarHBondContact O-N 3.18Å; V258-G261 PolarHBondContact O-N 2.95Å; I259-G261 VanDerWaalsContact C-N 3.29Å; I259-G261 PolarHBondContact O-N 3.43Å; G261-E263 PolarHBondContact O-N 3.38Å; G261-S264 WeakPolarHBondContact O-CB 3.45Å; G261-S264 PolarHBondContact O-N 2.98Å; G261-E265 PolarHBondContact O-N 2.96Å |
| 262 | L | 97.9 | Very high | 97.4 | Very high | 102 Ų | 102 | 95 Ų | 95 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 178 | -69.9 | 173.2 | 0 | 0 | 0 | 112.5 | V258 I259 S264 E265 L266 | V258-L262 HydrophobicContact CG1-CD1 4.04Å; V258-L262 HydrophobicContact CG1-CG 4.43Å; V258-L262 WeakPolarHBondContact O-CG 3.34Å; V258-L262 PolarHBondContact O-N 3.23Å; I259-L262 PolarHBondContact O-N 2.65Å; L262-S264 VanDerWaalsContact C-N 3.33Å; L262-E265 PolarHBondContact O-N 3.2Å; L262-L266 VanDerWaalsContact O-CB 3.3Å; L262-L266 WeakPolarHBondContact O-CB 3.46Å; L262-L266 PolarHBondContact O-N 3.47Å |
| 263 | E | 98.1 | Very high | 97.6 | Very high | 124 Ų | 124 | 94.7 Ų | 94.7 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 174.5 | -74.6 | 179 | 162.6 | 0 | 0 | 111.5 | I259 V260 G261 L266 E267 | I259-E263 HydrophobicContact CG2-CG 4.31Å; I259-E263 WeakPolarHBondContact O-CB 3.38Å; I259-E263 WeakPolarHBondContact O-CG 3.34Å; I259-E263 PolarHBondContact O-N 3.18Å; V260-E263 PolarHBondContact O-N 2.88Å; G261-E263 PolarHBondContact O-N 3.38Å; E263-L266 PolarHBondContact O-N 3.42Å; E263-E267 PolarHBondContact O-N 3.24Å |
| 264 | S | 98.3 | Very high | 97.7 | Very high | 78 Ų | 78 | 92.1 Ų | 92.1 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -45 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | V260 G261 L262 L266 E267 Q268 | V260-S264 WeakPolarHBondContact O-CB 3.41Å; V260-S264 PolarHBondContact O-N 3.42Å; G261-S264 WeakPolarHBondContact O-CB 3.45Å; G261-S264 PolarHBondContact O-N 2.98Å; L262-S264 VanDerWaalsContact C-N 3.33Å; S264-L266 VanDerWaalsContact C-N 3.31Å; S264-L266 PolarHBondContact O-N 3.31Å; S264-E267 PolarHBondContact O-N 2.86Å; S264-Q268 WeakPolarHBondContact O-CB 3.33Å; S264-Q268 PolarHBondContact O-N 3.4Å |
| 265 | E | 98.4 | Very high | 97.8 | Very high | 120 Ų | 120 | 91.5 Ų | 91.5 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -41.6 | 176 | -73 | -177.1 | -179.5 | 0 | 0 | 111.5 | G261 L262 E267 Q268 V269 | G261-E265 PolarHBondContact O-N 2.96Å; L262-E265 PolarHBondContact O-N 3.2Å; E265-E267 PolarHBondContact O-N 3.47Å; E265-Q268 WeakPolarHBondContact O-CB 3.3Å; E265-Q268 PolarHBondContact O-N 2.86Å; E265-V269 WeakPolarHBondContact O-CG2 3.43Å; E265-V269 PolarHBondContact O-N 2.91Å |
| 266 | L | 98.3 | Very high | 98 | Very high | 87 Ų | 87 | 92.8 Ų | 92.8 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 178.4 | -161.1 | 161.7 | 0 | 0 | 0 | 111 | L262 E263 S264 Q268 V269 R270 | L262-L266 VanDerWaalsContact O-CB 3.3Å; L262-L266 WeakPolarHBondContact O-CB 3.46Å; L262-L266 PolarHBondContact O-N 3.47Å; E263-L266 PolarHBondContact O-N 3.42Å; S264-L266 VanDerWaalsContact C-N 3.31Å; S264-L266 PolarHBondContact O-N 3.31Å; L266-Q268 VanDerWaalsContact C-N 3.35Å; L266-V269 PolarHBondContact O-N 2.97Å; L266-R270 HydrophobicContact CD2-CG 3.97Å; L266-R270 WeakPolarHBondContact O-CG 3.48Å; L266-R270 PolarHBondContact O-N 3.18Å |
| 267 | E | 98.4 | Very high | 98.1 | Very high | 107 Ų | 107 | 98.3 Ų | 98.3 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 176 | -170.2 | 54.7 | -145.8 | 0 | 0 | 112.1 | E263 S264 E265 V269 R270 S271 | E263-E267 PolarHBondContact O-N 3.24Å; S264-E267 PolarHBondContact O-N 2.86Å; E265-E267 PolarHBondContact O-N 3.47Å; E267-V269 PolarHBondContact O-N 3.29Å; E267-R270 PolarHBondContact O-N 3.09Å; E267-S271 WeakPolarHBondContact O-CB 3.25Å; E267-S271 PolarHBondContact O-N 3.37Å; E267-S271 PolarHBondContact O-OG 2.91Å |
| 268 | Q | 98.3 | Very high | 98.2 | Very high | 139 Ų | 139 | 98.3 Ų | 98.3 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 173.7 | -170.4 | 178.8 | 6.4 | 0 | 0 | 111.8 | S264 E265 L266 S271 G272 | S264-Q268 WeakPolarHBondContact O-CB 3.33Å; S264-Q268 PolarHBondContact O-N 3.4Å; E265-Q268 WeakPolarHBondContact O-CB 3.3Å; E265-Q268 PolarHBondContact O-N 2.86Å; L266-Q268 VanDerWaalsContact C-N 3.35Å; Q268-S271 PolarHBondContact O-OG 3.37Å; Q268-G272 PolarHBondContact O-N 3.29Å |
| 269 | V | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 102.4 Ų | 102.4 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66 | -42.4 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | E265 L266 E267 G272 L273 | E265-V269 WeakPolarHBondContact O-CG2 3.43Å; E265-V269 PolarHBondContact O-N 2.91Å; L266-V269 PolarHBondContact O-N 2.97Å; E267-V269 PolarHBondContact O-N 3.29Å; V269-G272 PolarHBondContact O-N 3.39Å; V269-L273 WeakPolarHBondContact O-CB 3.24Å; V269-L273 PolarHBondContact O-N 2.91Å |
| 270 | R | 98.4 | Very high | 98.2 | Very high | 157 Ų | 157 | 103.9 Ų | 103.9 | 59% | 0.592 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.9 | -48.4 | 177.5 | -79.5 | 178.6 | 172.1 | 172.7 | 4 | 112.2 | L266 E267 G272 L273 A274 | L266-R270 HydrophobicContact CD2-CG 3.97Å; L266-R270 WeakPolarHBondContact O-CG 3.48Å; L266-R270 PolarHBondContact O-N 3.18Å; E267-R270 PolarHBondContact O-N 3.09Å; R270-G272 VanDerWaalsContact C-N 3.34Å; R270-L273 PolarHBondContact O-N 2.84Å; R270-A274 PolarHBondContact O-N 3.48Å |
| 271 | S | 98.2 | Very high | 98.2 | Very high | 57 Ų | 57 | 101.9 Ų | 101.9 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -38 | 177.2 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | E267 Q268 A274 T275 | E267-S271 WeakPolarHBondContact O-CB 3.25Å; E267-S271 PolarHBondContact O-N 3.37Å; E267-S271 PolarHBondContact O-OG 2.91Å; Q268-S271 PolarHBondContact O-OG 3.37Å; S271-A274 PolarHBondContact O-N 3.3Å; S271-T275 PolarHBondContact O-N 2.88Å; S271-T275 PolarHBondContact O-OG1 2.98Å |
| 272 | G | 98.5 | Very high | 98.2 | Very high | 36 Ų | 36 | 105.3 Ų | 105.3 | 37% | 0.371 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q268 V269 R270 A274 T275 Q276 | Q268-G272 PolarHBondContact O-N 3.29Å; V269-G272 PolarHBondContact O-N 3.39Å; R270-G272 VanDerWaalsContact C-N 3.34Å; G272-A274 PolarHBondContact O-N 2.88Å; G272-T275 PolarHBondContact O-N 3.34Å; G272-Q276 WeakPolarHBondContact O-CB 3.28Å; G272-Q276 PolarHBondContact O-N 2.94Å |
| 273 | L | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 106 Ų | 106 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 177.6 | -168.3 | 80.9 | 0 | 0 | 0 | 111.9 | V269 R270 T275 Q276 R277 | V269-L273 WeakPolarHBondContact O-CB 3.24Å; V269-L273 PolarHBondContact O-N 2.91Å; R270-L273 PolarHBondContact O-N 2.84Å; L273-T275 VanDerWaalsContact C-N 3.32Å; L273-T275 PolarHBondContact O-N 3.42Å; L273-Q276 PolarHBondContact O-N 2.9Å; L273-R277 WeakPolarHBondContact O-CB 3.3Å; L273-R277 PolarHBondContact O-N 3.5Å |
| 274 | A | 97.9 | Very high | 98.3 | Very high | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R270 S271 G272 R277 Q278 | R270-A274 PolarHBondContact O-N 3.48Å; S271-A274 PolarHBondContact O-N 3.3Å; G272-A274 PolarHBondContact O-N 2.88Å; A274-R277 PolarHBondContact O-N 2.9Å; A274-Q278 PolarHBondContact O-N 2.88Å |
| 275 | T | 98.2 | Very high | 98.3 | Very high | 67 Ų | 67 | 104.2 Ų | 104.2 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | S271 G272 L273 Q278 R279 | S271-T275 PolarHBondContact O-N 2.88Å; S271-T275 PolarHBondContact O-OG1 2.98Å; G272-T275 PolarHBondContact O-N 3.34Å; L273-T275 VanDerWaalsContact C-N 3.32Å; L273-T275 PolarHBondContact O-N 3.42Å; T275-Q278 PolarHBondContact O-N 3.24Å; T275-R279 WeakPolarHBondContact O-CG 3.34Å; T275-R279 PolarHBondContact O-N 3.35Å |
| 276 | Q | 98.2 | Very high | 98.3 | Very high | 133 Ų | 133 | 101.5 Ų | 101.5 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -40.6 | 177.3 | -175.4 | 167.2 | -10.5 | 0 | 0 | 112.1 | G272 L273 Q278 R279 H280 | G272-Q276 WeakPolarHBondContact O-CB 3.28Å; G272-Q276 PolarHBondContact O-N 2.94Å; L273-Q276 PolarHBondContact O-N 2.9Å; Q276-Q278 VanDerWaalsContact C-N 3.32Å; Q276-Q278 PolarHBondContact O-N 3.03Å; Q276-R279 PolarHBondContact O-N 3.42Å; Q276-H280 WeakPolarHBondContact O-CB 3.37Å; Q276-H280 PolarHBondContact O-N 3.37Å |
| 277 | R | 98.3 | Very high | 98.2 | Very high | 178 Ų | 178 | 102.6 Ų | 102.6 | 67% | 0.672 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.2 | -43.8 | 173.3 | -178.2 | -177.9 | -74 | 165.8 | -3.4 | 111.2 | L273 A274 H280 S281 | L273-R277 WeakPolarHBondContact O-CB 3.3Å; L273-R277 PolarHBondContact O-N 3.5Å; A274-R277 PolarHBondContact O-N 2.9Å; R277-H280 PolarHBondContact O-N 3.03Å; R277-S281 PolarHBondContact O-N 3.4Å |
| 278 | Q | 98.3 | Very high | 98.2 | Very high | 112 Ų | 112 | 100.5 Ų | 100.5 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 177.6 | -177.7 | 65.1 | -7.8 | 0 | 0 | 112 | A274 T275 Q276 H280 S281 Q282 | A274-Q278 PolarHBondContact O-N 2.88Å; T275-Q278 PolarHBondContact O-N 3.24Å; Q276-Q278 VanDerWaalsContact C-N 3.32Å; Q276-Q278 PolarHBondContact O-N 3.03Å; Q278-H280 VanDerWaalsContact C-N 3.32Å; Q278-H280 PolarHBondContact O-N 2.95Å; Q278-S281 PolarHBondContact O-N 3.07Å; Q278-Q282 WeakPolarHBondContact O-CG 3.44Å; Q278-Q282 PolarHBondContact O-N 2.92Å |
| 279 | R | 98.1 | Very high | 98.2 | Very high | 171 Ų | 171 | 100.7 Ų | 100.7 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.8 | -42.4 | 175.5 | -70.3 | 175.6 | -176.5 | 167.5 | 2.6 | 111.8 | T275 Q276 Q282 L283 | T275-R279 WeakPolarHBondContact O-CG 3.34Å; T275-R279 PolarHBondContact O-N 3.35Å; Q276-R279 PolarHBondContact O-N 3.42Å; R279-Q282 PolarHBondContact O-N 2.98Å; R279-L283 WeakPolarHBondContact O-CB 3.49Å; R279-L283 PolarHBondContact O-N 3.14Å |
| 280 | H | 98.4 | Very high | 98.2 | Very high | 123 Ų | 123 | 99.8 Ų | 99.8 | 57% | 0.569 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 176.8 | -176.4 | -86.7 | 0 | 0 | 0 | 111.9 | Q276 R277 Q278 Q282 L283 L284 | Q276-H280 WeakPolarHBondContact O-CB 3.37Å; Q276-H280 PolarHBondContact O-N 3.37Å; R277-H280 PolarHBondContact O-N 3.03Å; Q278-H280 VanDerWaalsContact C-N 3.32Å; Q278-H280 PolarHBondContact O-N 2.95Å; H280-Q282 PolarHBondContact O-N 3.49Å; H280-L283 PolarHBondContact O-N 2.83Å; H280-L284 WeakPolarHBondContact O-CB 3.49Å; H280-L284 PolarHBondContact O-N 3.2Å |
| 281 | S | 98.3 | Very high | 98.2 | Very high | 51 Ų | 51 | 96.7 Ų | 96.7 | 36% | 0.357 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 175.2 | -178 | 0 | 0 | 0 | 0 | 112 | R277 Q278 L283 L284 N285 | R277-S281 PolarHBondContact O-N 3.4Å; Q278-S281 PolarHBondContact O-N 3.07Å; S281-L283 PolarHBondContact O-N 3.4Å; S281-L284 PolarHBondContact O-N 2.78Å; S281-N285 VanDerWaalsContact O-CG 3.28Å; S281-N285 PolarHBondContact O-N 3.22Å; S281-N285 PolarHBondContact O-ND2 2.93Å |
| 282 | Q | 98.1 | Very high | 98.2 | Very high | 107 Ų | 107 | 101.5 Ų | 101.5 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.5 | -69.7 | 173.4 | -8.4 | 0 | 0 | 112.1 | Q278 R279 H280 L284 N285 T286 | Q278-Q282 WeakPolarHBondContact O-CG 3.44Å; Q278-Q282 PolarHBondContact O-N 2.92Å; R279-Q282 PolarHBondContact O-N 2.98Å; H280-Q282 PolarHBondContact O-N 3.49Å; Q282-L284 PolarHBondContact O-N 2.84Å; Q282-N285 PolarHBondContact O-N 3.47Å; Q282-T286 WeakPolarHBondContact O-CG2 3.33Å; Q282-T286 PolarHBondContact O-N 3.4Å; Q282-T286 PolarHBondContact O-OG1 2.82Å |
| 283 | L | 98.4 | Very high | 98.1 | Very high | 117 Ų | 117 | 102.8 Ų | 102.8 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 176.4 | -175.6 | 63.2 | 0 | 0 | 0 | 111.7 | R279 H280 S281 N285 T286 K287 | R279-L283 WeakPolarHBondContact O-CB 3.49Å; R279-L283 PolarHBondContact O-N 3.14Å; H280-L283 PolarHBondContact O-N 2.83Å; S281-L283 PolarHBondContact O-N 3.4Å; L283-N285 VanDerWaalsContact C-N 3.34Å; L283-N285 PolarHBondContact O-N 2.85Å; L283-T286 WeakPolarHBondContact CA-OG1 3.11Å; L283-T286 PolarHBondContact O-N 2.9Å; L283-T286 PolarHBondContact O-OG1 2.99Å; L283-K287 WeakPolarHBondContact O-CB 3.35Å; L283-K287 PolarHBondContact O-N 3.45Å |
| 284 | L | 98.3 | Very high | 98.1 | Very high | 77 Ų | 77 | 102 Ų | 102 | 40% | 0.403 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 176 | -170.3 | 71.9 | 0 | 0 | 0 | 111.4 | H280 S281 Q282 K287 M288 | H280-L284 WeakPolarHBondContact O-CB 3.49Å; H280-L284 PolarHBondContact O-N 3.2Å; S281-L284 PolarHBondContact O-N 2.78Å; Q282-L284 PolarHBondContact O-N 2.84Å; L284-K287 PolarHBondContact O-N 3.43Å; L284-M288 HydrophobicContact CD2-CE 4.4Å; L284-M288 HydrophobicContact CG-CE 4.12Å; L284-M288 WeakPolarHBondContact O-CB 3.39Å; L284-M288 WeakPolarHBondContact O-CG 3.14Å; L284-M288 PolarHBondContact O-N 2.93Å |
| 285 | N | 98.3 | Very high | 98.1 | Very high | 86 Ų | 86 | 102.5 Ų | 102.5 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.2 | -72.7 | -25.1 | 0 | 0 | 0 | 112.2 | S281 Q282 L283 M288 R289 | S281-N285 VanDerWaalsContact O-CG 3.28Å; S281-N285 PolarHBondContact O-N 3.22Å; S281-N285 PolarHBondContact O-ND2 2.93Å; Q282-N285 PolarHBondContact O-N 3.47Å; L283-N285 VanDerWaalsContact C-N 3.34Å; L283-N285 PolarHBondContact O-N 2.85Å; N285-M288 PolarHBondContact O-N 3.15Å; N285-M288 VanDerWaalsContact OD1-CE 3.29Å; N285-M288 WeakPolarHBondContact OD1-CE 3.22Å; N285-R289 PolarHBondContact O-N 2.87Å |
| 286 | T | 98 | Very high | 98 | Very high | 63 Ų | 63 | 102.6 Ų | 102.6 | 39% | 0.387 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 175.8 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | Q282 L283 M288 R289 L290 | Q282-T286 WeakPolarHBondContact O-CG2 3.33Å; Q282-T286 PolarHBondContact O-N 3.4Å; Q282-T286 PolarHBondContact O-OG1 2.82Å; L283-T286 WeakPolarHBondContact CA-OG1 3.11Å; L283-T286 PolarHBondContact O-N 2.9Å; L283-T286 PolarHBondContact O-OG1 2.99Å; T286-M288 PolarHBondContact O-N 3.35Å; T286-R289 WeakPolarHBondContact O-CB 2.98Å; T286-R289 PolarHBondContact O-N 2.99Å; T286-R289 VanDerWaalsContact O-N 3.16Å; T286-L290 WeakPolarHBondContact O-CG 3.48Å; T286-L290 PolarHBondContact O-N 2.79Å |
| 287 | K | 98.2 | Very high | 98 | Very high | 110 Ų | 110 | 103 Ų | 103 | 48% | 0.478 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -54.4 | -52.4 | 172.6 | 178.7 | -170 | 164 | -177.1 | 0 | 111.2 | L283 L284 R289 L290 E291 | L283-K287 WeakPolarHBondContact O-CB 3.35Å; L283-K287 PolarHBondContact O-N 3.45Å; L284-K287 PolarHBondContact O-N 3.43Å; K287-R289 VanDerWaalsContact C-N 3.26Å; K287-R289 PolarHBondContact O-N 3.27Å; K287-L290 PolarHBondContact O-N 3.46Å; K287-E291 WeakPolarHBondContact CE-OE1 3.27Å; K287-E291 HydrophobicContact CG-CG 4.45Å; K287-E291 IonicContact NZ-OE1 2.86Å; K287-E291 WeakPolarHBondContact O-CG 3.5Å; K287-E291 PolarHBondContact O-N 2.95Å |
| 288 | M | 98.2 | Very high | 97.9 | Very high | 63 Ų | 63 | 102.2 Ų | 102.2 | 31% | 0.31 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -35.6 | 179.1 | -74.4 | -171.9 | -69.1 | 0 | 0 | 112.3 | L284 N285 T286 R292 | L284-M288 HydrophobicContact CD2-CE 4.4Å; L284-M288 HydrophobicContact CG-CE 4.12Å; L284-M288 WeakPolarHBondContact O-CB 3.39Å; L284-M288 WeakPolarHBondContact O-CG 3.14Å; L284-M288 PolarHBondContact O-N 2.93Å; N285-M288 PolarHBondContact O-N 3.15Å; N285-M288 VanDerWaalsContact OD1-CE 3.29Å; N285-M288 WeakPolarHBondContact OD1-CE 3.22Å; T286-M288 PolarHBondContact O-N 3.35Å; M288-R292 WeakPolarHBondContact O-CG 3.35Å; M288-R292 PolarHBondContact O-N 2.8Å |
| 289 | R | 98.4 | Very high | 97.7 | Very high | 143 Ų | 143 | 104.9 Ų | 104.9 | 54% | 0.54 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.2 | -48.4 | 175.2 | -165.1 | -175.1 | 82.9 | -158.5 | -1.5 | 111.4 | N285 T286 K287 E291 R292 E293 | N285-R289 PolarHBondContact O-N 2.87Å; T286-R289 WeakPolarHBondContact O-CB 2.98Å; T286-R289 PolarHBondContact O-N 2.99Å; T286-R289 VanDerWaalsContact O-N 3.16Å; K287-R289 VanDerWaalsContact C-N 3.26Å; K287-R289 PolarHBondContact O-N 3.27Å; R289-E291 VanDerWaalsContact C-N 3.33Å; R289-E291 PolarHBondContact O-N 3.33Å; R289-R292 WeakPolarHBondContact O-CB 3.18Å; R289-R292 PolarHBondContact O-N 3.16Å; R289-R292 VanDerWaalsContact O-N 3.15Å; R289-E293 IonicContact CZ-OE1 3.3Å; R289-E293 IonicContact NE-OE1 3.87Å; R289-E293 PolarHBondContact NE-OE1 2.84Å; R289-E293 IonicContact NH2-OE1 2.73Å; R289-E293 PolarHBondContact O-N 2.81Å |
| 290 | L | 98.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 101.1 Ų | 101.1 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 178.6 | -68.1 | 173.4 | 0 | 0 | 0 | 111.9 | T286 K287 R292 E293 I294 | T286-L290 WeakPolarHBondContact O-CG 3.48Å; T286-L290 PolarHBondContact O-N 2.79Å; K287-L290 PolarHBondContact O-N 3.46Å; L290-R292 VanDerWaalsContact C-N 3.32Å; L290-R292 PolarHBondContact O-N 2.89Å; L290-E293 PolarHBondContact O-N 2.81Å; L290-I294 WeakPolarHBondContact O-CB 3.34Å; L290-I294 VanDerWaalsContact O-CG1 3.28Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 2.94Å |
| 291 | E | 97.9 | Very high | 97.4 | Very high | 92 Ų | 92 | 99.9 Ų | 99.9 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 174.3 | -74.7 | 175.2 | 160.1 | 0 | 0 | 111.7 | K287 R289 T295 | K287-E291 WeakPolarHBondContact CE-OE1 3.27Å; K287-E291 HydrophobicContact CG-CG 4.45Å; K287-E291 IonicContact NZ-OE1 2.86Å; K287-E291 WeakPolarHBondContact O-CG 3.5Å; K287-E291 PolarHBondContact O-N 2.95Å; R289-E291 VanDerWaalsContact C-N 3.33Å; R289-E291 PolarHBondContact O-N 3.33Å; E291-T295 WeakPolarHBondContact O-CG2 3.39Å; E291-T295 PolarHBondContact O-N 3.5Å; E291-T295 PolarHBondContact O-OG1 3.43Å |
| 292 | R | 97.5 | Very high | 97.2 | Very high | 157 Ų | 157 | 103 Ų | 103 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.8 | -46.5 | 172.8 | -68.9 | 177.5 | -162.2 | 125.3 | 2.4 | 111.4 | M288 R289 L290 I294 T295 T296 | M288-R292 WeakPolarHBondContact O-CG 3.35Å; M288-R292 PolarHBondContact O-N 2.8Å; R289-R292 WeakPolarHBondContact O-CB 3.18Å; R289-R292 PolarHBondContact O-N 3.16Å; R289-R292 VanDerWaalsContact O-N 3.15Å; L290-R292 VanDerWaalsContact C-N 3.32Å; L290-R292 PolarHBondContact O-N 2.89Å; R292-I294 PolarHBondContact O-N 2.91Å; R292-T295 WeakPolarHBondContact CA-OG1 3.46Å; R292-T295 PolarHBondContact O-N 3.31Å; R292-T295 PolarHBondContact O-OG1 3.43Å; R292-T296 WeakPolarHBondContact O-CG2 3.22Å; R292-T296 PolarHBondContact O-N 3.44Å; R292-T296 PolarHBondContact O-OG1 3.24Å |
| 293 | E | 97.9 | Very high | 96.8 | Very high | 63 Ų | 63 | 106.5 Ų | 106.5 | 29% | 0.294 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.8 | -47.9 | 177.1 | -71 | 169.4 | -156.8 | 0 | 0 | 111 | R289 L290 T295 T296 Y297 | R289-E293 IonicContact CZ-OE1 3.3Å; R289-E293 IonicContact NE-OE1 3.87Å; R289-E293 PolarHBondContact NE-OE1 2.84Å; R289-E293 IonicContact NH2-OE1 2.73Å; R289-E293 PolarHBondContact O-N 2.81Å; L290-E293 PolarHBondContact O-N 2.81Å; E293-T295 PolarHBondContact O-N 3.41Å; E293-T296 WeakPolarHBondContact CA-OG1 3.46Å; E293-T296 PolarHBondContact O-N 2.98Å; E293-T296 VanDerWaalsContact O-N 3.15Å; E293-T296 PolarHBondContact O-OG1 3.4Å; E293-Y297 HydrophobicContact CB-CD2 4.37Å; E293-Y297 HydrophobicContact CB-CE2 4.05Å; E293-Y297 WeakPolarHBondContact O-CD2 3.38Å; E293-Y297 PolarHBondContact O-N 2.92Å |
| 294 | I | 97.1 | Very high | 96.3 | Very high | 84 Ų | 84 | 106.6 Ų | 106.6 | 43% | 0.431 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 176.7 | -68.9 | 165.8 | 0 | 0 | 0 | 111.6 | L290 R292 T296 Y297 R298 | L290-I294 WeakPolarHBondContact O-CB 3.34Å; L290-I294 VanDerWaalsContact O-CG1 3.28Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 2.94Å; R292-I294 PolarHBondContact O-N 2.91Å; I294-T296 VanDerWaalsContact C-N 3.32Å; I294-T296 PolarHBondContact O-N 2.93Å; I294-Y297 PolarHBondContact O-N 3.06Å; I294-R298 HydrophobicContact CG2-CG 4.47Å; I294-R298 WeakPolarHBondContact O-CG 3.19Å; I294-R298 PolarHBondContact O-N 2.84Å |
| 295 | T | 97.7 | Very high | 95.5 | Very high | 69 Ų | 69 | 108.2 Ų | 108.2 | 42% | 0.423 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 177.9 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | E291 R292 E293 R299 | E291-T295 WeakPolarHBondContact O-CG2 3.39Å; E291-T295 PolarHBondContact O-N 3.5Å; E291-T295 PolarHBondContact O-OG1 3.43Å; R292-T295 WeakPolarHBondContact CA-OG1 3.46Å; R292-T295 PolarHBondContact O-N 3.31Å; R292-T295 PolarHBondContact O-OG1 3.43Å; E293-T295 PolarHBondContact O-N 3.41Å; T295-R299 WeakPolarHBondContact O-CG 3.39Å; T295-R299 PolarHBondContact O-N 3.33Å |
| 296 | T | 96.8 | Very high | 94.7 | Very high | 69 Ų | 69 | 108.1 Ų | 108.1 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 172.6 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | R292 E293 I294 R298 R299 L300 | R292-T296 WeakPolarHBondContact O-CG2 3.22Å; R292-T296 PolarHBondContact O-N 3.44Å; R292-T296 PolarHBondContact O-OG1 3.24Å; E293-T296 WeakPolarHBondContact CA-OG1 3.46Å; E293-T296 PolarHBondContact O-N 2.98Å; E293-T296 VanDerWaalsContact O-N 3.15Å; E293-T296 PolarHBondContact O-OG1 3.4Å; I294-T296 VanDerWaalsContact C-N 3.32Å; I294-T296 PolarHBondContact O-N 2.93Å; T296-R298 PolarHBondContact O-N 2.92Å; T296-R299 PolarHBondContact O-N 3.49Å; T296-L300 WeakPolarHBondContact O-CG 3.16Å; T296-L300 PolarHBondContact O-N 3.46Å |
| 297 | Y | 97.6 | Very high | 93.8 | Very high | 142 Ų | 142 | 110.8 Ų | 110.8 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 176.8 | -70.9 | -54.5 | 0 | 0 | 0 | 112 | E293 I294 R299 L300 L301 | E293-Y297 HydrophobicContact CB-CD2 4.37Å; E293-Y297 HydrophobicContact CB-CE2 4.05Å; E293-Y297 WeakPolarHBondContact O-CD2 3.38Å; E293-Y297 PolarHBondContact O-N 2.92Å; I294-Y297 PolarHBondContact O-N 3.06Å; Y297-R299 PolarHBondContact O-N 2.91Å; Y297-L300 PolarHBondContact O-N 3.21Å; Y297-L301 WeakPolarHBondContact O-CG 3.35Å; Y297-L301 PolarHBondContact O-N 2.92Å |
| 298 | R | 96.3 | Very high | 92.8 | Very high | 160 Ų | 160 | 109.2 Ų | 109.2 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.4 | -45.8 | 174.2 | -74.9 | 179.3 | -178.9 | 173.9 | 0.6 | 112.2 | I294 T296 L300 L301 E302 | I294-R298 HydrophobicContact CG2-CG 4.47Å; I294-R298 WeakPolarHBondContact O-CG 3.19Å; I294-R298 PolarHBondContact O-N 2.84Å; T296-R298 PolarHBondContact O-N 2.92Å; R298-L300 VanDerWaalsContact C-N 3.35Å; R298-L300 PolarHBondContact O-N 2.8Å; R298-L301 PolarHBondContact O-N 3.14Å; R298-E302 WeakPolarHBondContact O-CB 3.18Å; R298-E302 VanDerWaalsContact O-CG 3.29Å; R298-E302 WeakPolarHBondContact O-CG 3.23Å; R298-E302 PolarHBondContact O-N 3.45Å |
| 299 | R | 95.4 | Very high | 91.7 | Very high | 168 Ų | 168 | 111.9 Ų | 111.9 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -36 | 178 | -72.6 | 178.6 | -175.2 | 176.1 | 2.4 | 113.5 | T295 T296 Y297 R303 | T295-R299 WeakPolarHBondContact O-CG 3.39Å; T295-R299 PolarHBondContact O-N 3.33Å; T296-R299 PolarHBondContact O-N 3.49Å; Y297-R299 PolarHBondContact O-N 2.91Å; R299-R303 WeakPolarHBondContact O-CG 3.41Å; R299-R303 PolarHBondContact O-N 2.8Å; R299-R303 VanDerWaalsContact O-N 3.16Å |
| 300 | L | 95.6 | Very high | 90.6 | Very high | 93 Ų | 93 | 109 Ų | 109 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -46.2 | 176.9 | -71.5 | 171.1 | 0 | 0 | 0 | 110.6 | T296 Y297 R298 E302 R303 E304 | T296-L300 WeakPolarHBondContact O-CG 3.16Å; T296-L300 PolarHBondContact O-N 3.46Å; Y297-L300 PolarHBondContact O-N 3.21Å; R298-L300 VanDerWaalsContact C-N 3.35Å; R298-L300 PolarHBondContact O-N 2.8Å; L300-E302 PolarHBondContact O-N 3.13Å; L300-R303 WeakPolarHBondContact O-CB 3.19Å; L300-R303 PolarHBondContact O-N 3.3Å; L300-R303 VanDerWaalsContact O-N 3.16Å; L300-E304 PolarHBondContact O-N 3.36Å |
| 301 | L | 94.6 | Very high | 89.4 | Confident | 96 Ų | 96 | 110.3 Ų | 110.3 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 175 | -75.7 | 161.7 | 0 | 0 | 0 | 111.9 | Y297 R298 R303 E304 E305 | Y297-L301 WeakPolarHBondContact O-CG 3.35Å; Y297-L301 PolarHBondContact O-N 2.92Å; R298-L301 PolarHBondContact O-N 3.14Å; L301-R303 VanDerWaalsContact C-N 3.25Å; L301-R303 PolarHBondContact O-N 2.98Å; L301-E304 PolarHBondContact O-N 2.92Å; L301-E305 WeakPolarHBondContact O-CB 3.28Å; L301-E305 WeakPolarHBondContact O-CG 3.4Å; L301-E305 PolarHBondContact O-N 3.22Å |
| 302 | E | 92.8 | Very high | 88.1 | Confident | 117 Ų | 117 | 110.8 Ų | 110.8 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.4 | -36.4 | 175.7 | -75.3 | 167 | -167.3 | 0 | 0 | 112.3 | R298 L300 V306 | R298-E302 WeakPolarHBondContact O-CB 3.18Å; R298-E302 VanDerWaalsContact O-CG 3.29Å; R298-E302 WeakPolarHBondContact O-CG 3.23Å; R298-E302 PolarHBondContact O-N 3.45Å; L300-E302 PolarHBondContact O-N 3.13Å; E302-V306 VanDerWaalsContact O-CG2 3.28Å; E302-V306 WeakPolarHBondContact O-CG2 3.4Å; E302-V306 PolarHBondContact O-N 2.88Å |
| 303 | R | 90 | Very high | 86.7 | Confident | 180 Ų | 180 | 107.2 Ų | 107.2 | 68% | 0.679 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.2 | -45.9 | 175.4 | -80 | -178.1 | 173.6 | -169.5 | -3.1 | 112.5 | R299 L300 L301 E305 V306 E307 | R299-R303 WeakPolarHBondContact O-CG 3.41Å; R299-R303 PolarHBondContact O-N 2.8Å; R299-R303 VanDerWaalsContact O-N 3.16Å; L300-R303 WeakPolarHBondContact O-CB 3.19Å; L300-R303 PolarHBondContact O-N 3.3Å; L300-R303 VanDerWaalsContact O-N 3.16Å; L301-R303 VanDerWaalsContact C-N 3.25Å; L301-R303 PolarHBondContact O-N 2.98Å; R303-E305 VanDerWaalsContact C-N 3.29Å; R303-E305 PolarHBondContact O-N 3.38Å; R303-V306 PolarHBondContact O-N 2.86Å; R303-E307 WeakPolarHBondContact O-CG 3.3Å; R303-E307 PolarHBondContact O-N 2.73Å |
| 304 | E | 87.5 | Confident | 85.2 | Confident | 119 Ų | 119 | 107.4 Ų | 107.4 | 56% | 0.556 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -37.2 | 177.9 | -71.7 | -179.4 | 174.5 | 0 | 0 | 111.6 | L300 L301 E307 T308 | L300-E304 PolarHBondContact O-N 3.36Å; L301-E304 PolarHBondContact O-N 2.92Å; E304-E307 PolarHBondContact O-N 2.99Å; E304-T308 WeakPolarHBondContact O-CB 3.28Å; E304-T308 VanDerWaalsContact O-CG2 3.3Å; E304-T308 WeakPolarHBondContact O-CG2 3.28Å; E304-T308 PolarHBondContact O-N 3.21Å; E304-T308 PolarHBondContact O-OG1 3.18Å |
| 305 | E | 82.8 | Confident | 83.5 | Confident | 111 Ų | 111 | 111 Ų | 111 | 52% | 0.519 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 173.4 | -75.4 | 179.6 | -179 | 0 | 0 | 112.1 | L301 R303 T308 Q309 | L301-E305 WeakPolarHBondContact O-CB 3.28Å; L301-E305 WeakPolarHBondContact O-CG 3.4Å; L301-E305 PolarHBondContact O-N 3.22Å; R303-E305 VanDerWaalsContact C-N 3.29Å; R303-E305 PolarHBondContact O-N 3.38Å; E305-T308 WeakPolarHBondContact CA-OG1 3.16Å; E305-T308 PolarHBondContact O-OG1 2.86Å; E305-Q309 WeakPolarHBondContact O-CB 3.44Å; E305-Q309 WeakPolarHBondContact O-CG 3.32Å; E305-Q309 PolarHBondContact O-N 2.65Å |
| 306 | V | 81.3 | Confident | 81.6 | Confident | 84 Ų | 84 | 114.4 Ų | 114.4 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.1 | -41 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | E302 R303 Q309 T310 | E302-V306 VanDerWaalsContact O-CG2 3.28Å; E302-V306 WeakPolarHBondContact O-CG2 3.4Å; E302-V306 PolarHBondContact O-N 2.88Å; R303-V306 PolarHBondContact O-N 2.86Å; V306-Q309 PolarHBondContact O-N 2.8Å; V306-T310 HydrophobicContact CG1-CG2 4.43Å; V306-T310 WeakPolarHBondContact O-CB 3.4Å; V306-T310 WeakPolarHBondContact O-CG2 3.43Å; V306-T310 PolarHBondContact O-N 3.3Å; V306-T310 PolarHBondContact O-OG1 2.96Å |
| 307 | E | 78.6 | Confident | 79.3 | Confident | 120 Ų | 120 | 120.8 Ų | 120.8 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.2 | -43.9 | 175.9 | -76 | 179.5 | -173.5 | 0 | 0 | 111.8 | R303 E304 T310 L311 | R303-E307 WeakPolarHBondContact O-CG 3.3Å; R303-E307 PolarHBondContact O-N 2.73Å; E304-E307 PolarHBondContact O-N 2.99Å; E307-T310 WeakPolarHBondContact CA-OG1 3.48Å; E307-T310 PolarHBondContact O-N 2.7Å; E307-T310 PolarHBondContact O-OG1 2.92Å; E307-L311 WeakPolarHBondContact O-CB 3.47Å; E307-L311 VanDerWaalsContact O-CG 3.27Å; E307-L311 WeakPolarHBondContact O-CG 3.49Å; E307-L311 PolarHBondContact O-N 3.42Å |
| 308 | T | 77.6 | Confident | 78.4 | Confident | 77 Ų | 77 | 119.7 Ų | 119.7 | 47% | 0.472 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.3 | -40 | 176.3 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | E304 E305 L311 L312 | E304-T308 WeakPolarHBondContact O-CB 3.28Å; E304-T308 VanDerWaalsContact O-CG2 3.3Å; E304-T308 WeakPolarHBondContact O-CG2 3.28Å; E304-T308 PolarHBondContact O-N 3.21Å; E304-T308 PolarHBondContact O-OG1 3.18Å; E305-T308 WeakPolarHBondContact CA-OG1 3.16Å; E305-T308 PolarHBondContact O-OG1 2.86Å; T308-L311 PolarHBondContact O-N 3.11Å; T308-L312 WeakPolarHBondContact O-CB 3.38Å; T308-L312 PolarHBondContact O-N 3.48Å |
| 309 | Q | 74.6 | Confident | 77.4 | Confident | 119 Ų | 119 | 117.6 Ų | 117.6 | 56% | 0.556 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.6 | -41.5 | 174.8 | -75.7 | 172.4 | 14.4 | 0 | 0 | 112.6 | E305 V306 L312 C313 | E305-Q309 WeakPolarHBondContact O-CB 3.44Å; E305-Q309 WeakPolarHBondContact O-CG 3.32Å; E305-Q309 PolarHBondContact O-N 2.65Å; V306-Q309 PolarHBondContact O-N 2.8Å; Q309-L312 PolarHBondContact O-N 2.97Å; Q309-C313 PolarHBondContact O-N 3.43Å; Q309-C313 PolarHBondContact O-SG 3.03Å |
| 310 | T | 74.4 | Confident | 76.4 | Confident | 81 Ų | 81 | 114.8 Ų | 114.8 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.1 | -39.2 | 177.6 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | V306 E307 C313 A314 | V306-T310 HydrophobicContact CG1-CG2 4.43Å; V306-T310 WeakPolarHBondContact O-CB 3.4Å; V306-T310 WeakPolarHBondContact O-CG2 3.43Å; V306-T310 PolarHBondContact O-N 3.3Å; V306-T310 PolarHBondContact O-OG1 2.96Å; E307-T310 WeakPolarHBondContact CA-OG1 3.48Å; E307-T310 PolarHBondContact O-N 2.7Å; E307-T310 PolarHBondContact O-OG1 2.92Å; T310-C313 PolarHBondContact O-N 3.29Å; T310-A314 WeakPolarHBondContact O-CB 3.46Å; T310-A314 PolarHBondContact O-N 2.95Å |
| 311 | L | 73.5 | Confident | 75.3 | Confident | 116 Ų | 116 | 116.1 Ų | 116.1 | 61% | 0.607 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.9 | -41.5 | 173.2 | -72.6 | 171.2 | 0 | 0 | 0 | 112.1 | E307 T308 A314 Q315 | E307-L311 WeakPolarHBondContact O-CB 3.47Å; E307-L311 VanDerWaalsContact O-CG 3.27Å; E307-L311 WeakPolarHBondContact O-CG 3.49Å; E307-L311 PolarHBondContact O-N 3.42Å; T308-L311 PolarHBondContact O-N 3.11Å; L311-A314 PolarHBondContact O-N 2.95Å; L311-Q315 PolarHBondContact O-N 3.42Å; L311-Q315 VanDerWaalsContact O-N 3.08Å |
| 312 | L | 70.4 | Confident | 74.1 | Confident | 102 Ų | 102 | 117.3 Ų | 117.3 | 53% | 0.534 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.2 | -43.4 | 173.6 | -98.8 | 147 | 0 | 0 | 0 | 112 | T308 Q309 A314 Q315 I316 | T308-L312 WeakPolarHBondContact O-CB 3.38Å; T308-L312 PolarHBondContact O-N 3.48Å; Q309-L312 PolarHBondContact O-N 2.97Å; L312-A314 VanDerWaalsContact C-N 3.35Å; L312-A314 PolarHBondContact O-N 2.87Å; L312-Q315 PolarHBondContact O-N 3.16Å; L312-I316 WeakPolarHBondContact O-CD1 3.49Å; L312-I316 WeakPolarHBondContact O-CG1 3.25Å; L312-I316 PolarHBondContact O-N 3.35Å |
| 313 | C | 69 | Low | 72.9 | Confident | 82 Ų | 82 | 117.3 Ų | 117.3 | 55% | 0.554 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.5 | -36.9 | 174.8 | -77.6 | 0 | 0 | 0 | 0 | 112.7 | Q309 T310 Q315 I316 | Q309-C313 PolarHBondContact O-N 3.43Å; Q309-C313 PolarHBondContact O-SG 3.03Å; T310-C313 PolarHBondContact O-N 3.29Å; C313-Q315 VanDerWaalsContact C-N 3.31Å; C313-Q315 PolarHBondContact O-N 3Å; C313-I316 PolarHBondContact O-N 3.48Å |
| 314 | A | 66.6 | Low | 71.7 | Confident | 66 Ų | 66 | 112.9 Ų | 112.9 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.3 | -22.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T310 L311 L312 | T310-A314 WeakPolarHBondContact O-CB 3.46Å; T310-A314 PolarHBondContact O-N 2.95Å; L311-A314 PolarHBondContact O-N 2.95Å; L312-A314 VanDerWaalsContact C-N 3.35Å; L312-A314 PolarHBondContact O-N 2.87Å |
| 315 | Q | 61.4 | Low | 70.4 | Confident | 161 Ų | 161 | 112.4 Ų | 112.4 | 75% | 0.752 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -83.4 | -13.9 | 174.4 | -92.8 | 173.8 | -26.7 | 0 | 0 | 114.1 | L311 L312 C313 | L311-Q315 PolarHBondContact O-N 3.42Å; L311-Q315 VanDerWaalsContact O-N 3.08Å; L312-Q315 PolarHBondContact O-N 3.16Å; C313-Q315 VanDerWaalsContact C-N 3.31Å; C313-Q315 PolarHBondContact O-N 3Å |
| 316 | I | 57.3 | Low | 69.4 | Low | 140 Ų | 140 | 112.5 Ų | 112.5 | 72% | 0.718 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -94.4 | -12 | -178.7 | -66.8 | 168.3 | 0 | 0 | 0 | 111.8 | L312 C313 | L312-I316 WeakPolarHBondContact O-CD1 3.49Å; L312-I316 WeakPolarHBondContact O-CG1 3.25Å; L312-I316 PolarHBondContact O-N 3.35Å; C313-I316 PolarHBondContact O-N 3.48Å |
| 317 | I | 48 | Very low | 68.3 | Low | 202 Ų | 202 | 115.1 Ų | 115.1 | 100% | 1.036 | 62% | 0.621 | S | S | * | * | trans | -97.7 | 0 | 174.1 | -59.5 | 173.5 | 0 | 0 | 0 | 109.3 |
Retrieved 317 of 317 residues in 124.4 ms
(Link to these results)