| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 61 | Low | 81.2 | Confident | 201 Ų | 201 | 115.2 Ų | 115.2 | 99% | 0.99 | 60% | 0.6 | S | S | * | * | 0 | -53.3 | 0 | -161.2 | 168.1 | -177.6 | 0 | 0 | 111.4 | E3 K4 I5 | M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 2.91Å; M1-K4 PolarHBondContact O-N 3.27Å; M1-I5 HydrophobicContact CG-CD1 4.42Å; M1-I5 PolarHBondContact O-N 3.31Å | |||
| 2 | M | 72.1 | Confident | 81.1 | Confident | 154 Ų | 154 | 114.1 Ų | 114.1 | 76% | 0.759 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -57.6 | -37.3 | 175.8 | -82.1 | -66 | -81.9 | 0 | 0 | 114.8 | K4 I5 A6 | M2-K4 VanDerWaalsContact C-N 3.33Å; M2-K4 PolarHBondContact O-N 3.43Å; M2-I5 PolarHBondContact O-N 3.38Å; M2-A6 WeakPolarHBondContact O-CB 3.48Å; M2-A6 PolarHBondContact O-N 3.34Å |
| 3 | E | 82.3 | Confident | 81.1 | Confident | 173 Ų | 173 | 114.2 Ų | 114.2 | 81% | 0.808 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.3 | -33.3 | -179.1 | -159.2 | 170.3 | -154.1 | 0 | 0 | 113.2 | M1 K7 | M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 2.91Å; E3-K7 WeakPolarHBondContact O-CB 3.24Å; E3-K7 PolarHBondContact O-N 3.42Å; E3-K7 VanDerWaalsContact O-N 3.1Å |
| 4 | K | 83.3 | Confident | 80.8 | Confident | 160 Ų | 160 | 110.1 Ų | 110.1 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69 | -43.4 | 174.6 | -121.3 | 179.6 | 179.9 | -175.9 | 0 | 111 | M1 M2 K7 D8 | M1-K4 PolarHBondContact O-N 3.27Å; M2-K4 VanDerWaalsContact C-N 3.33Å; M2-K4 PolarHBondContact O-N 3.43Å; K4-K7 PolarHBondContact O-N 3.34Å; K4-D8 PolarHBondContact O-N 3.33Å |
| 5 | I | 86.6 | Confident | 80.3 | Confident | 85 Ų | 85 | 117.3 Ų | 117.3 | 44% | 0.436 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.8 | -42.9 | 177.4 | -64.7 | 166.3 | 0 | 0 | 0 | 110.7 | M1 M2 K7 D8 V9 | M1-I5 HydrophobicContact CG-CD1 4.42Å; M1-I5 PolarHBondContact O-N 3.31Å; M2-I5 PolarHBondContact O-N 3.38Å; I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 PolarHBondContact O-N 2.9Å; I5-D8 PolarHBondContact O-N 2.89Å; I5-V9 HydrophobicContact CG2-CG2 4.3Å; I5-V9 WeakPolarHBondContact O-CB 3.23Å; I5-V9 VanDerWaalsContact O-CG2 3.23Å; I5-V9 WeakPolarHBondContact O-CG2 3.45Å; I5-V9 PolarHBondContact O-N 3.3Å |
| 6 | A | 86.9 | Confident | 80.1 | Confident | 67 Ų | 67 | 118.6 Ų | 118.6 | 55% | 0.554 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.3 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | M2 G10 | M2-A6 WeakPolarHBondContact O-CB 3.48Å; M2-A6 PolarHBondContact O-N 3.34Å; A6-G10 PolarHBondContact O-N 3.26Å |
| 7 | K | 87.2 | Confident | 80 | Confident | 140 Ų | 140 | 118.3 Ų | 118.3 | 61% | 0.609 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.3 | -48.6 | 174.8 | -168.8 | 179.9 | -179 | -177.8 | 0 | 111.8 | E3 K4 I5 V9 G10 D11 | E3-K7 WeakPolarHBondContact O-CB 3.24Å; E3-K7 PolarHBondContact O-N 3.42Å; E3-K7 VanDerWaalsContact O-N 3.1Å; K4-K7 PolarHBondContact O-N 3.34Å; I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 PolarHBondContact O-N 2.9Å; K7-V9 VanDerWaalsContact C-N 3.31Å; K7-V9 PolarHBondContact O-N 3.42Å; K7-G10 PolarHBondContact O-N 2.97Å; K7-D11 WeakPolarHBondContact O-CB 3.46Å; K7-D11 PolarHBondContact O-N 2.86Å |
| 8 | D | 87.6 | Confident | 79.9 | Confident | 89 Ų | 89 | 114.9 Ų | 114.9 | 48% | 0.476 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.9 | -38.6 | -179.9 | -67.1 | -18.9 | 0 | 0 | 0 | 111.4 | K4 I5 D11 I12 | K4-D8 PolarHBondContact O-N 3.33Å; I5-D8 PolarHBondContact O-N 2.89Å; D8-D11 PolarHBondContact O-N 3.29Å; D8-I12 WeakPolarHBondContact O-CB 3.45Å; D8-I12 WeakPolarHBondContact O-CD1 3.49Å; D8-I12 VanDerWaalsContact O-CG1 3.24Å; D8-I12 WeakPolarHBondContact O-CG1 3.28Å; D8-I12 PolarHBondContact O-N 3.1Å |
| 9 | V | 86.3 | Confident | 80.1 | Confident | 88 Ų | 88 | 115.4 Ų | 115.4 | 53% | 0.533 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.3 | -41 | 174.9 | 172 | 0 | 0 | 0 | 0 | 111.6 | I5 K7 D11 I12 Q13 | I5-V9 HydrophobicContact CG2-CG2 4.3Å; I5-V9 WeakPolarHBondContact O-CB 3.23Å; I5-V9 VanDerWaalsContact O-CG2 3.23Å; I5-V9 WeakPolarHBondContact O-CG2 3.45Å; I5-V9 PolarHBondContact O-N 3.3Å; K7-V9 VanDerWaalsContact C-N 3.31Å; K7-V9 PolarHBondContact O-N 3.42Å; V9-D11 VanDerWaalsContact C-N 3.34Å; V9-I12 PolarHBondContact O-N 2.99Å; V9-Q13 VanDerWaalsContact O-CB 3.32Å; V9-Q13 WeakPolarHBondContact O-CB 3.39Å; V9-Q13 PolarHBondContact O-N 2.85Å |
| 10 | G | 82.3 | Confident | 80.2 | Confident | 30 Ų | 30 | 118.7 Ų | 118.7 | 31% | 0.309 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.4 | -38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A6 K7 Q13 S14 | A6-G10 PolarHBondContact O-N 3.26Å; K7-G10 PolarHBondContact O-N 2.97Å; G10-Q13 PolarHBondContact O-N 2.88Å; G10-S14 WeakPolarHBondContact O-CB 3.47Å; G10-S14 PolarHBondContact O-N 3.42Å |
| 11 | D | 77.2 | Confident | 80.3 | Confident | 80 Ų | 80 | 116.9 Ų | 116.9 | 43% | 0.428 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.5 | -40.9 | 176.8 | -75.3 | -11.9 | 0 | 0 | 0 | 111.3 | K7 D8 V9 S14 R15 | K7-D11 WeakPolarHBondContact O-CB 3.46Å; K7-D11 PolarHBondContact O-N 2.86Å; D8-D11 PolarHBondContact O-N 3.29Å; V9-D11 VanDerWaalsContact C-N 3.34Å; D11-S14 PolarHBondContact O-OG 3.4Å; D11-R15 VanDerWaalsContact O-CG 3.28Å; D11-R15 WeakPolarHBondContact O-CG 3.36Å; D11-R15 PolarHBondContact O-N 2.97Å; D11-R15 VanDerWaalsContact O-N 3.1Å |
| 12 | I | 80.4 | Confident | 81.4 | Confident | 102 Ų | 102 | 111.8 Ų | 111.8 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.4 | -43.6 | 173.9 | -69.3 | 165.3 | 0 | 0 | 0 | 110.7 | D8 V9 R15 L16 | D8-I12 WeakPolarHBondContact O-CB 3.45Å; D8-I12 WeakPolarHBondContact O-CD1 3.49Å; D8-I12 VanDerWaalsContact O-CG1 3.24Å; D8-I12 WeakPolarHBondContact O-CG1 3.28Å; D8-I12 PolarHBondContact O-N 3.1Å; V9-I12 PolarHBondContact O-N 2.99Å; I12-R15 PolarHBondContact O-N 3.45Å; I12-L16 HydrophobicContact CG2-CD1 3.72Å; I12-L16 HydrophobicContact CG2-CG 4.37Å; I12-L16 WeakPolarHBondContact O-CB 3.5Å; I12-L16 WeakPolarHBondContact O-CG 3.14Å; I12-L16 PolarHBondContact O-N 2.85Å |
| 13 | Q | 81.1 | Confident | 82.2 | Confident | 116 Ų | 116 | 109.1 Ų | 109.1 | 54% | 0.542 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.9 | -44.7 | 177.6 | -171.6 | -155.8 | -0.1 | 0 | 0 | 111.3 | V9 G10 R15 L16 L17 | V9-Q13 VanDerWaalsContact O-CB 3.32Å; V9-Q13 WeakPolarHBondContact O-CB 3.39Å; V9-Q13 PolarHBondContact O-N 2.85Å; G10-Q13 PolarHBondContact O-N 2.88Å; Q13-R15 VanDerWaalsContact C-N 3.31Å; Q13-R15 PolarHBondContact O-N 3.1Å; Q13-L16 PolarHBondContact O-N 3.38Å; Q13-L17 HydrophobicContact CG-CD1 3.59Å; Q13-L17 HydrophobicContact CG-CG 4.2Å; Q13-L17 WeakPolarHBondContact O-CB 3.32Å; Q13-L17 WeakPolarHBondContact O-CG 2.92Å; Q13-L17 PolarHBondContact O-N 3.19Å |
| 14 | S | 76.9 | Confident | 82.6 | Confident | 56 Ų | 56 | 103.4 Ų | 103.4 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 177.7 | 75.8 | 0 | 0 | 0 | 0 | 111 | G10 D11 L16 D18 | G10-S14 WeakPolarHBondContact O-CB 3.47Å; G10-S14 PolarHBondContact O-N 3.42Å; D11-S14 PolarHBondContact O-OG 3.4Å; S14-L16 VanDerWaalsContact C-N 3.33Å; S14-L16 PolarHBondContact O-N 3.43Å; S14-D18 VanDerWaalsContact O-CA 3.25Å; S14-D18 WeakPolarHBondContact O-CA 3.49Å; S14-D18 WeakPolarHBondContact O-CB 3.35Å; S14-D18 PolarHBondContact O-N 2.96Å |
| 15 | R | 72.9 | Confident | 82.9 | Confident | 219 Ų | 219 | 97.9 Ų | 97.9 | 83% | 0.826 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.7 | -28.3 | 178.1 | -67 | 170.9 | 98.3 | 174.6 | 7 | 113.5 | D11 I12 Q13 | D11-R15 VanDerWaalsContact O-CG 3.28Å; D11-R15 WeakPolarHBondContact O-CG 3.36Å; D11-R15 PolarHBondContact O-N 2.97Å; D11-R15 VanDerWaalsContact O-N 3.1Å; I12-R15 PolarHBondContact O-N 3.45Å; Q13-R15 VanDerWaalsContact C-N 3.31Å; Q13-R15 PolarHBondContact O-N 3.1Å |
| 16 | L | 77 | Confident | 83.1 | Confident | 137 Ų | 137 | 99.3 Ų | 99.3 | 72% | 0.717 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -83.6 | -33.1 | 177.4 | -73.4 | 172.9 | 0 | 0 | 0 | 113.3 | I12 Q13 S14 | I12-L16 HydrophobicContact CG2-CD1 3.72Å; I12-L16 HydrophobicContact CG2-CG 4.37Å; I12-L16 WeakPolarHBondContact O-CB 3.5Å; I12-L16 WeakPolarHBondContact O-CG 3.14Å; I12-L16 PolarHBondContact O-N 2.85Å; Q13-L16 PolarHBondContact O-N 3.38Å; S14-L16 VanDerWaalsContact C-N 3.33Å; S14-L16 PolarHBondContact O-N 3.43Å |
| 17 | L | 78.7 | Confident | 83.3 | Confident | 114 Ų | 114 | 100 Ų | 100 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -111.6 | -22.6 | -171.9 | -56.9 | -176.8 | 0 | 0 | 0 | 113.7 | Q13 H19 | Q13-L17 HydrophobicContact CG-CD1 3.59Å; Q13-L17 HydrophobicContact CG-CG 4.2Å; Q13-L17 WeakPolarHBondContact O-CB 3.32Å; Q13-L17 WeakPolarHBondContact O-CG 2.92Å; Q13-L17 PolarHBondContact O-N 3.19Å; L17-H19 PolarHBondContact O-N 2.74Å; L17-H19 VanDerWaalsContact O-N 3.13Å; L17-H19 PolarHBondContact O-ND1 3.03Å |
| 18 | D | 79.2 | Confident | 83.5 | Confident | 57 Ų | 57 | 100.3 Ų | 100.3 | 31% | 0.305 | 52% | 0.515 | S | S | . | . | trans | -83.4 | 89.1 | 172.3 | -161.5 | 13.3 | 0 | 0 | 0 | 109.4 | S14 R20 P21 | S14-D18 VanDerWaalsContact O-CA 3.25Å; S14-D18 WeakPolarHBondContact O-CA 3.49Å; S14-D18 WeakPolarHBondContact O-CB 3.35Å; S14-D18 PolarHBondContact O-N 2.96Å; D18-R20 PolarHBondContact O-N 3.13Å; D18-R20 VanDerWaalsContact OD1-CB 3.3Å; D18-R20 WeakPolarHBondContact OD1-CB 3.32Å; D18-R20 WeakPolarHBondContact OD1-CG 3.5Å; D18-R20 IonicContact OD1-CZ 3.72Å; D18-R20 PolarHBondContact OD1-N 3.12Å; D18-R20 IonicContact OD1-NE 3.97Å; D18-R20 PolarHBondContact OD1-NE 2.88Å; D18-R20 IonicContact OD1-NH2 3.74Å; D18-R20 IonicContact OD2-NE 2.75Å; D18-P21 WeakPolarHBondContact O-CD 3.25Å | ||
| 19 | H | 81.9 | Confident | 83.6 | Confident | 125 Ų | 125 | 101.9 Ų | 101.9 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | trans | -75.4 | -5.5 | 176.2 | 50 | -80.1 | 0 | 0 | 0 | 112.3 | L17 V22 I23 | L17-H19 PolarHBondContact O-N 2.74Å; L17-H19 VanDerWaalsContact O-N 3.13Å; L17-H19 PolarHBondContact O-ND1 3.03Å; H19-V22 PolarHBondContact O-N 2.94Å; H19-V22 VanDerWaalsContact O-N 3.12Å; H19-I23 HydrophobicContact CB-CG1 4.38Å; H19-I23 WeakPolarHBondContact O-CG1 3.3Å; H19-I23 PolarHBondContact O-N 2.9Å | ||
| 20 | R | 83.9 | Confident | 83.6 | Confident | 180 Ų | 180 | 103.6 Ų | 103.6 | 68% | 0.679 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -52.4 | -45.7 | 179.7 | -84 | -178.9 | -92 | -161.6 | -15.3 | 113.5 | D18 V22 S24 | D18-R20 PolarHBondContact O-N 3.13Å; D18-R20 VanDerWaalsContact OD1-CB 3.3Å; D18-R20 WeakPolarHBondContact OD1-CB 3.32Å; D18-R20 WeakPolarHBondContact OD1-CG 3.5Å; D18-R20 IonicContact OD1-CZ 3.72Å; D18-R20 PolarHBondContact OD1-N 3.12Å; D18-R20 IonicContact OD1-NE 3.97Å; D18-R20 PolarHBondContact OD1-NE 2.88Å; D18-R20 IonicContact OD1-NH2 3.74Å; D18-R20 IonicContact OD2-NE 2.75Å; R20-V22 VanDerWaalsContact C-N 3.33Å; R20-V22 PolarHBondContact O-N 3.43Å; R20-S24 WeakPolarHBondContact O-CB 3.41Å; R20-S24 PolarHBondContact O-N 2.7Å |
| 21 | P | 82.3 | Confident | 83.9 | Confident | 82 Ų | 82 | 104.6 Ų | 104.6 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 178.8 | -22.9 | 35.6 | 0 | 0 | 0 | 112.8 | D18 A25 | D18-P21 WeakPolarHBondContact O-CD 3.25Å; P21-A25 WeakPolarHBondContact O-CB 3.43Å; P21-A25 PolarHBondContact O-N 3.33Å |
| 22 | V | 84.1 | Confident | 84.2 | Confident | 94 Ų | 94 | 106.4 Ų | 106.4 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.8 | -53.2 | 179.5 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | H19 R20 S24 A25 E26 | H19-V22 PolarHBondContact O-N 2.94Å; H19-V22 VanDerWaalsContact O-N 3.12Å; R20-V22 VanDerWaalsContact C-N 3.33Å; R20-V22 PolarHBondContact O-N 3.43Å; V22-S24 VanDerWaalsContact C-N 3.28Å; V22-S24 PolarHBondContact O-N 3.12Å; V22-A25 WeakPolarHBondContact O-CB 3.42Å; V22-A25 PolarHBondContact O-N 2.98Å; V22-A25 VanDerWaalsContact O-N 3.12Å; V22-E26 PolarHBondContact O-N 3.43Å |
| 23 | I | 88.4 | Confident | 84.3 | Confident | 97 Ų | 97 | 103.5 Ų | 103.5 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 177.6 | -64.7 | -65.7 | 0 | 0 | 0 | 110.7 | H19 A25 E26 V27 | H19-I23 HydrophobicContact CB-CG1 4.38Å; H19-I23 WeakPolarHBondContact O-CG1 3.3Å; H19-I23 PolarHBondContact O-N 2.9Å; I23-A25 VanDerWaalsContact C-N 3.31Å; I23-A25 PolarHBondContact O-N 2.74Å; I23-E26 PolarHBondContact O-N 3.25Å; I23-V27 HydrophobicContact CG2-CG2 4.26Å; I23-V27 WeakPolarHBondContact O-CB 2.96Å; I23-V27 VanDerWaalsContact O-CG2 3.23Å; I23-V27 WeakPolarHBondContact O-CG2 3.34Å; I23-V27 PolarHBondContact O-N 3.47Å |
| 24 | S | 89.8 | Confident | 84.1 | Confident | 54 Ų | 54 | 102.9 Ų | 102.9 | 38% | 0.378 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -32.7 | 180 | -162.9 | 0 | 0 | 0 | 0 | 112.1 | R20 V22 R28 | R20-S24 WeakPolarHBondContact O-CB 3.41Å; R20-S24 PolarHBondContact O-N 2.7Å; V22-S24 VanDerWaalsContact C-N 3.28Å; V22-S24 PolarHBondContact O-N 3.12Å; S24-R28 WeakPolarHBondContact O-CG 3.45Å; S24-R28 VanDerWaalsContact O-CZ 3.24Å; S24-R28 PolarHBondContact O-N 2.88Å; S24-R28 VanDerWaalsContact O-N 3.12Å; S24-R28 PolarHBondContact O-NH1 3.26Å; S24-R28 PolarHBondContact OG-NH1 3.28Å |
| 25 | A | 89.2 | Confident | 84.1 | Confident | 43 Ų | 43 | 106.6 Ų | 106.6 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.6 | -44.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P21 V22 I23 R28 Y29 | P21-A25 WeakPolarHBondContact O-CB 3.43Å; P21-A25 PolarHBondContact O-N 3.33Å; V22-A25 WeakPolarHBondContact O-CB 3.42Å; V22-A25 PolarHBondContact O-N 2.98Å; V22-A25 VanDerWaalsContact O-N 3.12Å; I23-A25 VanDerWaalsContact C-N 3.31Å; I23-A25 PolarHBondContact O-N 2.74Å; A25-R28 PolarHBondContact O-N 2.89Å; A25-Y29 WeakPolarHBondContact O-CB 3.39Å; A25-Y29 PolarHBondContact O-N 2.82Å |
| 26 | E | 91.6 | Very high | 84.1 | Confident | 116 Ų | 116 | 102.5 Ų | 102.5 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.9 | -70.9 | -58.3 | 150.5 | 0 | 0 | 112 | V22 I23 R28 Y29 F30 | V22-E26 PolarHBondContact O-N 3.43Å; I23-E26 PolarHBondContact O-N 3.25Å; E26-R28 PolarHBondContact O-N 3.48Å; E26-Y29 PolarHBondContact O-N 3.24Å; E26-F30 WeakPolarHBondContact O-CB 3.23Å; E26-F30 PolarHBondContact O-N 2.87Å |
| 27 | V | 92 | Very high | 83.8 | Confident | 82 Ų | 82 | 102.4 Ų | 102.4 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 174.8 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | I23 Y29 F30 V31 | I23-V27 HydrophobicContact CG2-CG2 4.26Å; I23-V27 WeakPolarHBondContact O-CB 2.96Å; I23-V27 VanDerWaalsContact O-CG2 3.23Å; I23-V27 WeakPolarHBondContact O-CG2 3.34Å; I23-V27 PolarHBondContact O-N 3.47Å; V27-Y29 VanDerWaalsContact C-N 3.34Å; V27-Y29 PolarHBondContact O-N 3.36Å; V27-F30 PolarHBondContact O-N 3.32Å; V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.41Å |
| 28 | R | 91.1 | Very high | 83.7 | Confident | 145 Ų | 145 | 103.1 Ų | 103.1 | 55% | 0.547 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 175.7 | -77.7 | -172.4 | -64.1 | -82.9 | -2.6 | 112.3 | S24 A25 E26 R32 | S24-R28 WeakPolarHBondContact O-CG 3.45Å; S24-R28 VanDerWaalsContact O-CZ 3.24Å; S24-R28 PolarHBondContact O-N 2.88Å; S24-R28 VanDerWaalsContact O-N 3.12Å; S24-R28 PolarHBondContact O-NH1 3.26Å; S24-R28 PolarHBondContact OG-NH1 3.28Å; A25-R28 PolarHBondContact O-N 2.89Å; E26-R28 PolarHBondContact O-N 3.48Å; R28-R32 WeakPolarHBondContact O-CB 3.47Å; R28-R32 PolarHBondContact O-N 2.97Å |
| 29 | Y | 89.1 | Confident | 83.8 | Confident | 123 Ų | 123 | 102.3 Ų | 102.3 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 176.6 | 179.7 | -101.3 | 0 | 0 | 0 | 111 | A25 E26 V27 V31 R32 E33 | A25-Y29 WeakPolarHBondContact O-CB 3.39Å; A25-Y29 PolarHBondContact O-N 2.82Å; E26-Y29 PolarHBondContact O-N 3.24Å; V27-Y29 VanDerWaalsContact C-N 3.34Å; V27-Y29 PolarHBondContact O-N 3.36Å; Y29-V31 PolarHBondContact O-N 2.83Å; Y29-R32 PolarHBondContact O-N 3.49Å; Y29-E33 HydrophobicContact CD1-CG 4.13Å; Y29-E33 HydrophobicContact CD2-CG 4.13Å; Y29-E33 HydrophobicContact CE1-CG 3.69Å; Y29-E33 HydrophobicContact CE2-CG 3.69Å; Y29-E33 HydrophobicContact CG-CG 4.33Å; Y29-E33 VanDerWaalsContact CZ-CG 3.45Å; Y29-E33 WeakPolarHBondContact O-CG 3.36Å; Y29-E33 PolarHBondContact O-N 3.12Å |
| 30 | F | 87.4 | Confident | 83.9 | Confident | 124 Ų | 124 | 101.2 Ų | 101.2 | 54% | 0.544 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.6 | -49.8 | 176.4 | -177.2 | -92.2 | 0 | 0 | 0 | 111.9 | E26 V27 R32 E33 F34 | E26-F30 WeakPolarHBondContact O-CB 3.23Å; E26-F30 PolarHBondContact O-N 2.87Å; V27-F30 PolarHBondContact O-N 3.32Å; F30-R32 PolarHBondContact O-N 3.45Å; F30-E33 PolarHBondContact O-N 3.37Å; F30-F34 AromaticContact CD2-CD2 3.86Å; F30-F34 HydrophobicContact CD2-CD2 3.86Å; F30-F34 HydrophobicContact CD2-CE2 4.01Å; F30-F34 AromaticContact CE2-CD2 3.73Å; F30-F34 HydrophobicContact CE2-CD2 3.73Å; F30-F34 AromaticContact CE2-CE2 3.74Å; F30-F34 HydrophobicContact CE2-CE2 3.74Å; F30-F34 HydrophobicContact CE2-CG 4.36Å; F30-F34 HydrophobicContact CE2-CZ 4.38Å; F30-F34 HydrophobicContact CG-CD2 4.35Å; F30-F34 HydrophobicContact CZ-CD2 4.1Å; F30-F34 HydrophobicContact CZ-CE2 4.43Å; F30-F34 HydrophobicContact CZ-CG 4.3Å; F30-F34 WeakPolarHBondContact O-CB 3.34Å; F30-F34 PolarHBondContact O-N 2.95Å |
| 31 | V | 87.4 | Confident | 84 | Confident | 50 Ų | 50 | 100 Ų | 100 | 30% | 0.303 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 176.2 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | V27 Y29 E33 F34 E35 E36 | V27-V31 WeakPolarHBondContact O-CG2 3.33Å; V27-V31 PolarHBondContact O-N 3.41Å; Y29-V31 PolarHBondContact O-N 2.83Å; V31-E33 PolarHBondContact O-N 3.45Å; V31-F34 PolarHBondContact O-N 3.35Å; V31-E35 HydrophobicContact CG1-CB 4.49Å; V31-E35 WeakPolarHBondContact O-CA 3.43Å; V31-E35 WeakPolarHBondContact O-CB 3.01Å; V31-E35 PolarHBondContact O-N 2.86Å; V31-E36 PolarHBondContact O-N 3.45Å |
| 32 | R | 84.7 | Confident | 84.2 | Confident | 119 Ų | 119 | 99.8 Ų | 99.8 | 45% | 0.449 | 48% | 0.477 | S | S | . | . | I | π-helix | trans | -61.3 | -44.6 | 177.8 | -177.9 | 178.2 | 93.9 | -175.9 | 5.7 | 112.8 | R28 Y29 F30 E36 K37 | R28-R32 WeakPolarHBondContact O-CB 3.47Å; R28-R32 PolarHBondContact O-N 2.97Å; Y29-R32 PolarHBondContact O-N 3.49Å; F30-R32 PolarHBondContact O-N 3.45Å; R32-E36 HydrophobicContact CG-CB 4.35Å; R32-E36 VanDerWaalsContact CG-OE2 3.31Å; R32-E36 WeakPolarHBondContact CG-OE2 3.31Å; R32-E36 WeakPolarHBondContact O-CB 3.39Å; R32-E36 PolarHBondContact O-N 3.31Å; R32-K37 PolarHBondContact O-N 2.99Å |
| 33 | E | 81.1 | Confident | 84.4 | Confident | 40 Ų | 40 | 99.4 Ų | 99.4 | 19% | 0.187 | 47% | 0.471 | C | S | . | . | I | π-helix | trans | -72.1 | -33.4 | -177.3 | -66.7 | -58.6 | 118.7 | 0 | 0 | 112.7 | Y29 F30 V31 K37 | Y29-E33 HydrophobicContact CD1-CG 4.13Å; Y29-E33 HydrophobicContact CD2-CG 4.13Å; Y29-E33 HydrophobicContact CE1-CG 3.69Å; Y29-E33 HydrophobicContact CE2-CG 3.69Å; Y29-E33 HydrophobicContact CG-CG 4.33Å; Y29-E33 VanDerWaalsContact CZ-CG 3.45Å; Y29-E33 WeakPolarHBondContact O-CG 3.36Å; Y29-E33 PolarHBondContact O-N 3.12Å; F30-E33 PolarHBondContact O-N 3.37Å; V31-E33 PolarHBondContact O-N 3.45Å; E33-K37 WeakPolarHBondContact OE1-CD 3.44Å; E33-K37 WeakPolarHBondContact OE1-CE 3.41Å; E33-K37 IonicContact OE1-NZ 3.78Å; E33-K37 PolarHBondContact OE1-NZ 2.91Å; E33-K37 WeakPolarHBondContact OE2-CD 3.35Å; E33-K37 WeakPolarHBondContact OE2-CE 3.48Å; E33-K37 IonicContact OE2-NZ 3.87Å; E33-K37 PolarHBondContact OE2-NZ 3.38Å |
| 34 | F | 76.8 | Confident | 84.5 | Confident | 104 Ų | 104 | 101 Ų | 101 | 46% | 0.456 | 47% | 0.471 | S | S | . | . | I | π-helix | trans | -98.6 | -35 | -174.2 | -81.8 | -91.9 | 0 | 0 | 0 | 114.6 | F30 V31 R38 | F30-F34 AromaticContact CD2-CD2 3.86Å; F30-F34 HydrophobicContact CD2-CD2 3.86Å; F30-F34 HydrophobicContact CD2-CE2 4.01Å; F30-F34 AromaticContact CE2-CD2 3.73Å; F30-F34 HydrophobicContact CE2-CD2 3.73Å; F30-F34 AromaticContact CE2-CE2 3.74Å; F30-F34 HydrophobicContact CE2-CE2 3.74Å; F30-F34 HydrophobicContact CE2-CG 4.36Å; F30-F34 HydrophobicContact CE2-CZ 4.38Å; F30-F34 HydrophobicContact CG-CD2 4.35Å; F30-F34 HydrophobicContact CZ-CD2 4.1Å; F30-F34 HydrophobicContact CZ-CE2 4.43Å; F30-F34 HydrophobicContact CZ-CG 4.3Å; F30-F34 WeakPolarHBondContact O-CB 3.34Å; F30-F34 PolarHBondContact O-N 2.95Å; V31-F34 PolarHBondContact O-N 3.35Å; F34-R38 WeakPolarHBondContact O-CB 3.19Å; F34-R38 WeakPolarHBondContact O-CD 3.32Å |
| 35 | E | 77.6 | Confident | 84.7 | Confident | 134 Ų | 134 | 103 Ų | 103 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | I | π-helix | trans | -100.2 | -47.1 | -178.4 | -58.8 | -174.6 | 167.4 | 0 | 0 | 111 | V31 G39 | V31-E35 HydrophobicContact CG1-CB 4.49Å; V31-E35 WeakPolarHBondContact O-CA 3.43Å; V31-E35 WeakPolarHBondContact O-CB 3.01Å; V31-E35 PolarHBondContact O-N 2.86Å; E35-G39 VanDerWaalsContact O-CA 3.32Å; E35-G39 WeakPolarHBondContact O-CA 3.47Å; E35-G39 PolarHBondContact O-N 3.16Å |
| 36 | E | 72.6 | Confident | 85 | Confident | 132 Ų | 132 | 106.5 Ų | 106.5 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | I | π-helix | trans | -79.2 | -45.7 | -173.9 | -58.1 | 178.8 | 178.6 | 0 | 0 | 112.8 | V31 R32 G39 | V31-E36 PolarHBondContact O-N 3.45Å; R32-E36 HydrophobicContact CG-CB 4.35Å; R32-E36 VanDerWaalsContact CG-OE2 3.31Å; R32-E36 WeakPolarHBondContact CG-OE2 3.31Å; R32-E36 WeakPolarHBondContact O-CB 3.39Å; R32-E36 PolarHBondContact O-N 3.31Å; E36-G39 PolarHBondContact O-N 2.83Å |
| 37 | K | 72.2 | Confident | 85.3 | Confident | 135 Ų | 135 | 106.6 Ų | 106.6 | 59% | 0.587 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -33.8 | 179.8 | -80.5 | -169.4 | 177.9 | 173.1 | 0 | 113.5 | R32 E33 | R32-K37 PolarHBondContact O-N 2.99Å; E33-K37 WeakPolarHBondContact OE1-CD 3.44Å; E33-K37 WeakPolarHBondContact OE1-CE 3.41Å; E33-K37 IonicContact OE1-NZ 3.78Å; E33-K37 PolarHBondContact OE1-NZ 2.91Å; E33-K37 WeakPolarHBondContact OE2-CD 3.35Å; E33-K37 WeakPolarHBondContact OE2-CE 3.48Å; E33-K37 IonicContact OE2-NZ 3.87Å; E33-K37 PolarHBondContact OE2-NZ 3.38Å |
| 38 | R | 76 | Confident | 85.5 | Confident | 129 Ų | 129 | 107.4 Ų | 107.4 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -34.6 | 173 | -67.5 | -170.6 | 171.1 | -159.4 | 0.1 | 111.1 | F34 L40 R41 E42 | F34-R38 WeakPolarHBondContact O-CB 3.19Å; F34-R38 WeakPolarHBondContact O-CD 3.32Å; R38-L40 PolarHBondContact O-N 2.93Å; R38-R41 WeakPolarHBondContact O-CB 3.42Å; R38-R41 PolarHBondContact O-N 3.46Å; R38-R41 VanDerWaalsContact O-N 3.16Å; R38-E42 IonicContact NH1-OE1 3.3Å |
| 39 | G | 80.6 | Confident | 85.9 | Confident | 41 Ų | 41 | 105.9 Ų | 105.9 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -136.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E35 E36 R41 | E35-G39 VanDerWaalsContact O-CA 3.32Å; E35-G39 WeakPolarHBondContact O-CA 3.47Å; E35-G39 PolarHBondContact O-N 3.16Å; E36-G39 PolarHBondContact O-N 2.83Å; G39-R41 VanDerWaalsContact C-N 3.32Å; G39-R41 PolarHBondContact O-N 3.49Å |
| 40 | L | 83.4 | Confident | 86.3 | Confident | 102 Ų | 102 | 104.2 Ų | 104.2 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 25 | 179.2 | -53.4 | 174.5 | 0 | 0 | 0 | 112.9 | R38 E42 I43 R44 | R38-L40 PolarHBondContact O-N 2.93Å; L40-E42 PolarHBondContact O-N 3.35Å; L40-I43 HydrophobicContact CB-CB 4.43Å; L40-I43 HydrophobicContact CD2-CD1 3.68Å; L40-I43 PolarHBondContact O-N 3.47Å; L40-R44 WeakPolarHBondContact O-CG 3.35Å; L40-R44 PolarHBondContact O-N 3.38Å |
| 41 | R | 86.9 | Confident | 86.8 | Confident | 155 Ų | 155 | 103.8 Ų | 103.8 | 59% | 0.585 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.7 | -49.2 | -174.5 | 178.4 | -175.2 | 176.5 | -157.9 | -1 | 111.8 | R38 G39 I43 R44 L45 | R38-R41 WeakPolarHBondContact O-CB 3.42Å; R38-R41 PolarHBondContact O-N 3.46Å; R38-R41 VanDerWaalsContact O-N 3.16Å; G39-R41 VanDerWaalsContact C-N 3.32Å; G39-R41 PolarHBondContact O-N 3.49Å; R41-I43 VanDerWaalsContact C-N 3.32Å; R41-I43 PolarHBondContact O-N 2.97Å; R41-R44 PolarHBondContact O-N 3.45Å; R41-L45 HydrophobicContact CG-CD1 4.05Å; R41-L45 WeakPolarHBondContact O-CG 3.38Å; R41-L45 PolarHBondContact O-N 2.96Å |
| 42 | E | 86.8 | Confident | 87.3 | Confident | 76 Ų | 76 | 105.2 Ų | 105.2 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | -179.3 | -73.4 | 75.6 | -174.6 | 0 | 0 | 111.2 | R38 L40 L45 L46 | R38-E42 IonicContact NH1-OE1 3.3Å; L40-E42 PolarHBondContact O-N 3.35Å; E42-L45 WeakPolarHBondContact O-CB 3.44Å; E42-L45 PolarHBondContact O-N 2.92Å; E42-L46 WeakPolarHBondContact O-CG 3.36Å; E42-L46 PolarHBondContact O-N 3.11Å |
| 43 | I | 88.4 | Confident | 87.9 | Confident | 86 Ų | 86 | 102.7 Ų | 102.7 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -50.4 | 176 | -68.8 | 164.7 | 0 | 0 | 0 | 110.5 | L40 R41 L45 L46 E47 | L40-I43 HydrophobicContact CB-CB 4.43Å; L40-I43 HydrophobicContact CD2-CD1 3.68Å; L40-I43 PolarHBondContact O-N 3.47Å; R41-I43 VanDerWaalsContact C-N 3.32Å; R41-I43 PolarHBondContact O-N 2.97Å; I43-L45 VanDerWaalsContact C-N 3.26Å; I43-L45 PolarHBondContact O-N 3.35Å; I43-L46 PolarHBondContact O-N 2.94Å; I43-L46 VanDerWaalsContact O-N 3.11Å; I43-E47 HydrophobicContact CG2-CG 4.32Å; I43-E47 WeakPolarHBondContact O-CG 3.49Å; I43-E47 PolarHBondContact O-N 3.45Å |
| 44 | R | 90.1 | Very high | 88.7 | Confident | 131 Ų | 131 | 104.9 Ų | 104.9 | 49% | 0.494 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -36.6 | 176.9 | -71.5 | -172.9 | -64.1 | -99.9 | 0.4 | 112.6 | L40 R41 N48 | L40-R44 WeakPolarHBondContact O-CG 3.35Å; L40-R44 PolarHBondContact O-N 3.38Å; R41-R44 PolarHBondContact O-N 3.45Å; R44-N48 WeakPolarHBondContact O-CB 3.36Å; R44-N48 PolarHBondContact O-N 3.15Å; R44-N48 PolarHBondContact O-ND2 3.31Å; R44-N48 VanDerWaalsContact O-ND2 3.15Å |
| 45 | L | 93.9 | Very high | 89.7 | Confident | 97 Ų | 97 | 103.6 Ų | 103.6 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 175.2 | -78.3 | 166.7 | 0 | 0 | 0 | 111.2 | R41 E42 I43 N48 L49 | R41-L45 HydrophobicContact CG-CD1 4.05Å; R41-L45 WeakPolarHBondContact O-CG 3.38Å; R41-L45 PolarHBondContact O-N 2.96Å; E42-L45 WeakPolarHBondContact O-CB 3.44Å; E42-L45 PolarHBondContact O-N 2.92Å; I43-L45 VanDerWaalsContact C-N 3.26Å; I43-L45 PolarHBondContact O-N 3.35Å; L45-N48 PolarHBondContact O-N 2.85Å; L45-L49 WeakPolarHBondContact O-CB 3.35Å; L45-L49 PolarHBondContact O-N 2.97Å |
| 46 | L | 96.3 | Very high | 90.6 | Very high | 116 Ų | 116 | 100.2 Ų | 100.2 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.5 | -40.1 | 177.4 | -70.9 | 172.8 | 0 | 0 | 0 | 112.2 | E42 I43 L49 N50 | E42-L46 WeakPolarHBondContact O-CG 3.36Å; E42-L46 PolarHBondContact O-N 3.11Å; I43-L46 PolarHBondContact O-N 2.94Å; I43-L46 VanDerWaalsContact O-N 3.11Å; L46-L49 PolarHBondContact O-N 2.73Å; L46-N50 WeakPolarHBondContact O-CB 3.33Å; L46-N50 PolarHBondContact O-N 2.91Å |
| 47 | E | 96.8 | Very high | 91.8 | Very high | 117 Ų | 117 | 98.3 Ų | 98.3 | 55% | 0.547 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 175 | -73.2 | 171.8 | 162.8 | 0 | 0 | 111.5 | I43 N50 K51 | I43-E47 HydrophobicContact CG2-CG 4.32Å; I43-E47 WeakPolarHBondContact O-CG 3.49Å; I43-E47 PolarHBondContact O-N 3.45Å; E47-N50 PolarHBondContact O-N 3.41Å; E47-K51 WeakPolarHBondContact O-CB 3.3Å; E47-K51 PolarHBondContact O-N 3.31Å |
| 48 | N | 97.1 | Very high | 93 | Very high | 99 Ų | 99 | 98.1 Ų | 98.1 | 53% | 0.529 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 175.6 | -73.8 | -27 | 0 | 0 | 0 | 111.6 | R44 L45 N50 K51 T52 | R44-N48 WeakPolarHBondContact O-CB 3.36Å; R44-N48 PolarHBondContact O-N 3.15Å; R44-N48 PolarHBondContact O-ND2 3.31Å; R44-N48 VanDerWaalsContact O-ND2 3.15Å; L45-N48 PolarHBondContact O-N 2.85Å; N48-N50 VanDerWaalsContact C-N 3.35Å; N48-K51 PolarHBondContact O-N 3.29Å; N48-T52 PolarHBondContact O-N 3.14Å; N48-T52 PolarHBondContact O-OG1 3.3Å; N48-T52 VanDerWaalsContact O-OG1 3.14Å |
| 49 | L | 97.9 | Very high | 93.9 | Very high | 114 Ų | 114 | 98.1 Ų | 98.1 | 60% | 0.597 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.4 | -47.1 | 176.8 | -165.6 | 91.8 | 0 | 0 | 0 | 110.7 | L45 L46 K51 T52 V53 | L45-L49 WeakPolarHBondContact O-CB 3.35Å; L45-L49 PolarHBondContact O-N 2.97Å; L46-L49 PolarHBondContact O-N 2.73Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 2.98Å; L49-T52 PolarHBondContact O-N 3.26Å; L49-V53 VanDerWaalsContact O-CG2 3.3Å; L49-V53 WeakPolarHBondContact O-CG2 3.41Å; L49-V53 PolarHBondContact O-N 2.9Å |
| 50 | N | 97.9 | Very high | 94.6 | Very high | 88 Ų | 88 | 102 Ų | 102 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 178.3 | -171.9 | 57.7 | 0 | 0 | 0 | 111.3 | L46 E47 N48 V53 Q54 | L46-N50 WeakPolarHBondContact O-CB 3.33Å; L46-N50 PolarHBondContact O-N 2.91Å; E47-N50 PolarHBondContact O-N 3.41Å; N48-N50 VanDerWaalsContact C-N 3.35Å; N50-V53 PolarHBondContact O-N 3.37Å; N50-Q54 WeakPolarHBondContact O-CB 2.83Å; N50-Q54 WeakPolarHBondContact O-CG 3.44Å; N50-Q54 PolarHBondContact O-N 3.35Å |
| 51 | K | 97.8 | Very high | 95.3 | Very high | 114 Ų | 114 | 101.1 Ų | 101.1 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 174.9 | -179.1 | 178.2 | 171.9 | 179.1 | 0 | 111.7 | E47 N48 L49 V53 Q54 E55 | E47-K51 WeakPolarHBondContact O-CB 3.3Å; E47-K51 PolarHBondContact O-N 3.31Å; N48-K51 PolarHBondContact O-N 3.29Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 2.98Å; K51-V53 VanDerWaalsContact C-N 3.31Å; K51-V53 PolarHBondContact O-N 2.84Å; K51-Q54 PolarHBondContact O-N 2.91Å; K51-E55 WeakPolarHBondContact CE-OE1 3.26Å; K51-E55 HydrophobicContact CG-CG 4.45Å; K51-E55 IonicContact NZ-OE1 2.9Å; K51-E55 WeakPolarHBondContact O-CB 3.37Å; K51-E55 WeakPolarHBondContact O-CG 3.5Å; K51-E55 PolarHBondContact O-N 3.46Å |
| 52 | T | 98 | Very high | 95.8 | Very high | 80 Ų | 80 | 96.6 Ų | 96.6 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 177.8 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | N48 L49 T56 | N48-T52 PolarHBondContact O-N 3.14Å; N48-T52 PolarHBondContact O-OG1 3.3Å; N48-T52 VanDerWaalsContact O-OG1 3.14Å; L49-T52 PolarHBondContact O-N 3.26Å; T52-T56 WeakPolarHBondContact O-CB 3.32Å; T52-T56 PolarHBondContact O-N 2.95Å; T52-T56 PolarHBondContact O-OG1 3.43Å |
| 53 | V | 98.1 | Very high | 96.3 | Very high | 67 Ų | 67 | 95.5 Ų | 95.5 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 111 | L49 N50 K51 T56 N57 | L49-V53 VanDerWaalsContact O-CG2 3.3Å; L49-V53 WeakPolarHBondContact O-CG2 3.41Å; L49-V53 PolarHBondContact O-N 2.9Å; N50-V53 PolarHBondContact O-N 3.37Å; K51-V53 VanDerWaalsContact C-N 3.31Å; K51-V53 PolarHBondContact O-N 2.84Å; V53-T56 PolarHBondContact O-N 3.32Å; V53-N57 WeakPolarHBondContact O-CB 3.33Å; V53-N57 PolarHBondContact O-N 2.82Å |
| 54 | Q | 97.9 | Very high | 96.7 | Very high | 85 Ų | 85 | 95.7 Ų | 95.7 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 176.8 | -77.1 | -179.9 | -31.9 | 0 | 0 | 111.8 | N50 K51 T56 N57 E58 | N50-Q54 WeakPolarHBondContact O-CB 2.83Å; N50-Q54 WeakPolarHBondContact O-CG 3.44Å; N50-Q54 PolarHBondContact O-N 3.35Å; K51-Q54 PolarHBondContact O-N 2.91Å; Q54-T56 VanDerWaalsContact C-N 3.27Å; Q54-T56 PolarHBondContact O-N 3.1Å; Q54-N57 PolarHBondContact O-N 3.26Å; Q54-E58 VanDerWaalsContact O-CB 3.26Å; Q54-E58 WeakPolarHBondContact O-CB 3.35Å; Q54-E58 WeakPolarHBondContact O-CG 3.48Å; Q54-E58 PolarHBondContact O-N 3.29Å |
| 55 | E | 97.5 | Very high | 97.1 | Very high | 78 Ų | 78 | 94.4 Ų | 94.4 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | I | π-helix | trans | -57.5 | -42.3 | 176.9 | -73.2 | 172.6 | 173.2 | 0 | 0 | 111.6 | K51 Q59 M60 | K51-E55 WeakPolarHBondContact CE-OE1 3.26Å; K51-E55 HydrophobicContact CG-CG 4.45Å; K51-E55 IonicContact NZ-OE1 2.9Å; K51-E55 WeakPolarHBondContact O-CB 3.37Å; K51-E55 WeakPolarHBondContact O-CG 3.5Å; K51-E55 PolarHBondContact O-N 3.46Å; E55-Q59 WeakPolarHBondContact O-CB 3.29Å; E55-Q59 PolarHBondContact O-N 2.92Å; E55-M60 PolarHBondContact O-N 3.4Å; E55-M60 VanDerWaalsContact O-N 3.1Å |
| 56 | T | 97.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 96.4 Ų | 96.4 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | I | π-helix | trans | -66.3 | -48.3 | 178.7 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | T52 V53 Q54 M60 L61 | T52-T56 WeakPolarHBondContact O-CB 3.32Å; T52-T56 PolarHBondContact O-N 2.95Å; T52-T56 PolarHBondContact O-OG1 3.43Å; V53-T56 PolarHBondContact O-N 3.32Å; Q54-T56 VanDerWaalsContact C-N 3.27Å; Q54-T56 PolarHBondContact O-N 3.1Å; T56-M60 PolarHBondContact O-N 3.2Å; T56-L61 WeakPolarHBondContact O-CB 3.44Å; T56-L61 PolarHBondContact O-N 2.88Å |
| 57 | N | 97.2 | Very high | 97.3 | Very high | 92 Ų | 92 | 95.3 Ų | 95.3 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | I | π-helix | trans | -79.7 | -37.3 | -172.5 | -75.7 | -15.7 | 0 | 0 | 0 | 113.5 | V53 Q54 P62 | V53-N57 WeakPolarHBondContact O-CB 3.33Å; V53-N57 PolarHBondContact O-N 2.82Å; Q54-N57 PolarHBondContact O-N 3.26Å; N57-P62 VanDerWaalsContact O-CD 3.3Å; N57-P62 WeakPolarHBondContact O-CD 3.37Å |
| 58 | E | 95.9 | Very high | 97.4 | Very high | 131 Ų | 131 | 95.2 Ų | 95.2 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | I | π-helix | trans | -93.9 | -24.2 | -172.4 | -60.7 | 178.9 | -172.5 | 0 | 0 | 112.5 | Q54 P62 | Q54-E58 VanDerWaalsContact O-CB 3.26Å; Q54-E58 WeakPolarHBondContact O-CB 3.35Å; Q54-E58 WeakPolarHBondContact O-CG 3.48Å; Q54-E58 PolarHBondContact O-N 3.29Å; E58-P62 WeakPolarHBondContact O-CG 3.19Å |
| 59 | Q | 95.1 | Very high | 97.4 | Very high | 130 Ų | 130 | 94.3 Ų | 94.3 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | I | π-helix | trans | -115.6 | -58.3 | -177.2 | -54.3 | 178.1 | 16.4 | 0 | 0 | 112 | E55 P62 A63 | E55-Q59 WeakPolarHBondContact O-CB 3.29Å; E55-Q59 PolarHBondContact O-N 2.92Å; Q59-P62 WeakPolarHBondContact O-CD 3.35Å; Q59-A63 VanDerWaalsContact O-CB 3.29Å; Q59-A63 WeakPolarHBondContact O-CB 3.39Å; Q59-A63 PolarHBondContact O-N 2.86Å; Q59-A63 VanDerWaalsContact O-N 3.17Å |
| 60 | M | 96.3 | Very high | 97.4 | Very high | 121 Ų | 121 | 94.6 Ų | 94.6 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | I | π-helix | trans | -67.9 | -45.9 | -173.2 | -63.4 | -168.4 | 126.3 | 0 | 0 | 112.4 | E55 T56 A63 N64 | E55-M60 PolarHBondContact O-N 3.4Å; E55-M60 VanDerWaalsContact O-N 3.1Å; T56-M60 PolarHBondContact O-N 3.2Å; M60-A63 PolarHBondContact O-N 2.6Å; M60-N64 WeakPolarHBondContact O-CB 3.36Å; M60-N64 VanDerWaalsContact O-CG 3.27Å; M60-N64 PolarHBondContact O-N 2.97Å; M60-N64 PolarHBondContact O-ND2 3.49Å |
| 61 | L | 97.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 95.9 Ų | 95.9 | 45% | 0.445 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -49.3 | -178.6 | 175.6 | 66.9 | 0 | 0 | 0 | 112.3 | T56 A63 N64 L65 | T56-L61 WeakPolarHBondContact O-CB 3.44Å; T56-L61 PolarHBondContact O-N 2.88Å; L61-A63 PolarHBondContact O-N 3.34Å; L61-N64 PolarHBondContact O-N 3.4Å; L61-L65 HydrophobicContact CD1-CD1 4.12Å; L61-L65 HydrophobicContact CD1-CG 4.19Å; L61-L65 HydrophobicContact CG-CD1 4.12Å; L61-L65 WeakPolarHBondContact O-CG 3.36Å; L61-L65 PolarHBondContact O-N 3.45Å |
| 62 | P | 97.6 | Very high | 97.4 | Very high | 60 Ų | 60 | 95.7 Ų | 95.7 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 176.7 | -27.3 | 38.2 | 0 | 0 | 0 | 113.2 | N57 E58 Q59 N64 L65 Q66 | N57-P62 VanDerWaalsContact O-CD 3.3Å; N57-P62 WeakPolarHBondContact O-CD 3.37Å; E58-P62 WeakPolarHBondContact O-CG 3.19Å; Q59-P62 WeakPolarHBondContact O-CD 3.35Å; P62-N64 PolarHBondContact O-N 2.88Å; P62-L65 PolarHBondContact O-N 3.45Å; P62-Q66 WeakPolarHBondContact O-CB 3.43Å; P62-Q66 PolarHBondContact O-N 3.17Å |
| 63 | A | 97.4 | Very high | 97.4 | Very high | 53 Ų | 53 | 94.4 Ų | 94.4 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q59 M60 L61 Q66 E67 | Q59-A63 VanDerWaalsContact O-CB 3.29Å; Q59-A63 WeakPolarHBondContact O-CB 3.39Å; Q59-A63 PolarHBondContact O-N 2.86Å; Q59-A63 VanDerWaalsContact O-N 3.17Å; M60-A63 PolarHBondContact O-N 2.6Å; L61-A63 PolarHBondContact O-N 3.34Å; A63-Q66 PolarHBondContact O-N 3.43Å; A63-E67 WeakPolarHBondContact O-CB 3.37Å; A63-E67 PolarHBondContact O-N 2.86Å |
| 64 | N | 97.3 | Very high | 97.4 | Very high | 90 Ų | 90 | 94.5 Ų | 94.5 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 177.1 | -75.2 | -21.1 | 0 | 0 | 0 | 112.1 | M60 L61 P62 Q66 E67 M68 | M60-N64 WeakPolarHBondContact O-CB 3.36Å; M60-N64 VanDerWaalsContact O-CG 3.27Å; M60-N64 PolarHBondContact O-N 2.97Å; M60-N64 PolarHBondContact O-ND2 3.49Å; L61-N64 PolarHBondContact O-N 3.4Å; P62-N64 PolarHBondContact O-N 2.88Å; N64-Q66 VanDerWaalsContact C-N 3.35Å; N64-E67 PolarHBondContact O-N 3.35Å; N64-M68 WeakPolarHBondContact O-CB 3.48Å; N64-M68 WeakPolarHBondContact O-CG 3.43Å; N64-M68 PolarHBondContact O-N 2.97Å |
| 65 | L | 97.4 | Very high | 97.5 | Very high | 103 Ų | 103 | 95.4 Ų | 95.4 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.3 | -73.7 | 173.3 | 0 | 0 | 0 | 111.7 | L61 P62 S69 | L61-L65 HydrophobicContact CD1-CD1 4.12Å; L61-L65 HydrophobicContact CD1-CG 4.19Å; L61-L65 HydrophobicContact CG-CD1 4.12Å; L61-L65 WeakPolarHBondContact O-CG 3.36Å; L61-L65 PolarHBondContact O-N 3.45Å; P62-L65 PolarHBondContact O-N 3.45Å; L65-S69 VanDerWaalsContact O-CB 3.29Å; L65-S69 WeakPolarHBondContact O-CB 3.3Å; L65-S69 PolarHBondContact O-N 3.34Å |
| 66 | Q | 97.6 | Very high | 97.5 | Very high | 139 Ų | 139 | 94.4 Ų | 94.4 | 65% | 0.65 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -46.3 | 176.4 | -176.4 | 176.7 | -3.4 | 0 | 0 | 111.3 | P62 A63 N64 S69 Q70 | P62-Q66 WeakPolarHBondContact O-CB 3.43Å; P62-Q66 PolarHBondContact O-N 3.17Å; A63-Q66 PolarHBondContact O-N 3.43Å; N64-Q66 VanDerWaalsContact C-N 3.35Å; Q66-S69 PolarHBondContact O-N 2.92Å; Q66-Q70 WeakPolarHBondContact O-CB 3.27Å; Q66-Q70 PolarHBondContact O-N 3.44Å |
| 67 | E | 97.9 | Very high | 97.5 | Very high | 93 Ų | 93 | 97 Ų | 97 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 178.5 | -170 | -174.4 | 164.9 | 0 | 0 | 111.6 | A63 N64 Q70 K71 | A63-E67 WeakPolarHBondContact O-CB 3.37Å; A63-E67 PolarHBondContact O-N 2.86Å; N64-E67 PolarHBondContact O-N 3.35Å; E67-Q70 PolarHBondContact O-N 2.97Å; E67-K71 HydrophobicContact CG-CD 4.21Å; E67-K71 WeakPolarHBondContact O-CB 3.5Å; E67-K71 WeakPolarHBondContact O-CG 3.39Å; E67-K71 PolarHBondContact O-N 2.92Å; E67-K71 WeakPolarHBondContact OE1-CE 3.43Å; E67-K71 IonicContact OE1-NZ 2.7Å; E67-K71 PolarHBondContact OE1-NZ 2.92Å |
| 68 | M | 97.8 | Very high | 97.6 | Very high | 115 Ų | 115 | 101.8 Ų | 101.8 | 57% | 0.567 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.7 | -46.1 | 174.7 | -79.6 | -175.5 | 64.2 | 0 | 0 | 111.7 | N64 Q70 K71 L72 | N64-M68 WeakPolarHBondContact O-CB 3.48Å; N64-M68 WeakPolarHBondContact O-CG 3.43Å; N64-M68 PolarHBondContact O-N 2.97Å; M68-Q70 VanDerWaalsContact C-N 3.31Å; M68-Q70 PolarHBondContact O-N 3.36Å; M68-K71 PolarHBondContact O-N 3.3Å; M68-L72 WeakPolarHBondContact O-CB 3.28Å; M68-L72 VanDerWaalsContact O-CG 3.28Å; M68-L72 WeakPolarHBondContact O-CG 3.36Å; M68-L72 PolarHBondContact O-N 2.95Å |
| 69 | S | 97.9 | Very high | 97.7 | Very high | 80 Ų | 80 | 101.3 Ų | 101.3 | 56% | 0.559 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.9 | -44.1 | 178 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | L65 Q66 L72 S73 | L65-S69 VanDerWaalsContact O-CB 3.29Å; L65-S69 WeakPolarHBondContact O-CB 3.3Å; L65-S69 PolarHBondContact O-N 3.34Å; Q66-S69 PolarHBondContact O-N 2.92Å; S69-L72 PolarHBondContact O-N 3.35Å; S69-S73 WeakPolarHBondContact O-CB 3.29Å; S69-S73 PolarHBondContact O-N 2.97Å |
| 70 | Q | 98 | Very high | 97.9 | Very high | 120 Ų | 120 | 100.5 Ų | 100.5 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.2 | -46.8 | 177.8 | -171.3 | 166.8 | 7.5 | 0 | 0 | 112 | Q66 E67 M68 L72 S73 D74 | Q66-Q70 WeakPolarHBondContact O-CB 3.27Å; Q66-Q70 PolarHBondContact O-N 3.44Å; E67-Q70 PolarHBondContact O-N 2.97Å; M68-Q70 VanDerWaalsContact C-N 3.31Å; M68-Q70 PolarHBondContact O-N 3.36Å; Q70-L72 VanDerWaalsContact C-N 3.34Å; Q70-L72 PolarHBondContact O-N 2.92Å; Q70-S73 WeakPolarHBondContact O-CB 3.41Å; Q70-S73 PolarHBondContact O-N 3.48Å; Q70-D74 PolarHBondContact O-N 3.28Å |
| 71 | K | 97.9 | Very high | 98 | Very high | 116 Ų | 116 | 97.2 Ų | 97.2 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.5 | -76.4 | 174.8 | 171 | 171.9 | 0 | 112.2 | E67 M68 D74 I75 | E67-K71 HydrophobicContact CG-CD 4.21Å; E67-K71 WeakPolarHBondContact O-CB 3.5Å; E67-K71 WeakPolarHBondContact O-CG 3.39Å; E67-K71 PolarHBondContact O-N 2.92Å; E67-K71 WeakPolarHBondContact OE1-CE 3.43Å; E67-K71 IonicContact OE1-NZ 2.7Å; E67-K71 PolarHBondContact OE1-NZ 2.92Å; M68-K71 PolarHBondContact O-N 3.3Å; K71-D74 PolarHBondContact O-N 3.42Å; K71-I75 VanDerWaalsContact O-CG1 3.27Å; K71-I75 WeakPolarHBondContact O-CG1 3.37Å; K71-I75 PolarHBondContact O-N 3.36Å |
| 72 | L | 98.2 | Very high | 98 | Very high | 109 Ų | 109 | 95.7 Ų | 95.7 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 176.1 | -74.3 | 171.9 | 0 | 0 | 0 | 111.5 | M68 S69 Q70 D74 I75 S76 | M68-L72 WeakPolarHBondContact O-CB 3.28Å; M68-L72 VanDerWaalsContact O-CG 3.28Å; M68-L72 WeakPolarHBondContact O-CG 3.36Å; M68-L72 PolarHBondContact O-N 2.95Å; S69-L72 PolarHBondContact O-N 3.35Å; Q70-L72 VanDerWaalsContact C-N 3.34Å; Q70-L72 PolarHBondContact O-N 2.92Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-D74 PolarHBondContact O-N 3.08Å; L72-I75 PolarHBondContact O-N 3.47Å; L72-S76 WeakPolarHBondContact O-CB 3.4Å; L72-S76 PolarHBondContact O-N 3.37Å |
| 73 | S | 98.2 | Very high | 98.1 | Very high | 53 Ų | 53 | 97.1 Ų | 97.1 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 174.6 | -170 | 0 | 0 | 0 | 0 | 111.9 | S69 Q70 S76 K77 | S69-S73 WeakPolarHBondContact O-CB 3.29Å; S69-S73 PolarHBondContact O-N 2.97Å; Q70-S73 WeakPolarHBondContact O-CB 3.41Å; Q70-S73 PolarHBondContact O-N 3.48Å; S73-S76 PolarHBondContact O-N 2.9Å; S73-K77 WeakPolarHBondContact O-CG 3.31Å; S73-K77 PolarHBondContact O-N 3.19Å |
| 74 | D | 98.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 100.1 Ų | 100.1 | 37% | 0.369 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 179.4 | -71.8 | -16.3 | 0 | 0 | 0 | 112.3 | Q70 K71 L72 K77 R78 | Q70-D74 PolarHBondContact O-N 3.28Å; K71-D74 PolarHBondContact O-N 3.42Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-D74 PolarHBondContact O-N 3.08Å; D74-K77 PolarHBondContact O-N 3.4Å; D74-R78 VanDerWaalsContact O-CG 3.31Å; D74-R78 WeakPolarHBondContact O-CG 3.43Å; D74-R78 PolarHBondContact O-N 2.96Å; D74-R78 VanDerWaalsContact O-N 3.08Å |
| 75 | I | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 102 Ų | 102 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.9 | -69.6 | 166.8 | 0 | 0 | 0 | 110.4 | K71 L72 K77 R78 L79 | K71-I75 VanDerWaalsContact O-CG1 3.27Å; K71-I75 WeakPolarHBondContact O-CG1 3.37Å; K71-I75 PolarHBondContact O-N 3.36Å; L72-I75 PolarHBondContact O-N 3.47Å; I75-K77 PolarHBondContact O-N 3.49Å; I75-R78 PolarHBondContact O-N 3.05Å; I75-L79 WeakPolarHBondContact O-CB 3.4Å; I75-L79 PolarHBondContact O-N 2.87Å |
| 76 | S | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 99.7 Ų | 99.7 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 178.3 | -162.6 | 0 | 0 | 0 | 0 | 111.5 | L72 S73 R78 L79 E80 | L72-S76 WeakPolarHBondContact O-CB 3.4Å; L72-S76 PolarHBondContact O-N 3.37Å; S73-S76 PolarHBondContact O-N 2.9Å; S76-R78 VanDerWaalsContact C-N 3.34Å; S76-R78 PolarHBondContact O-N 3.34Å; S76-L79 WeakPolarHBondContact O-CB 3.49Å; S76-L79 PolarHBondContact O-N 2.91Å; S76-E80 WeakPolarHBondContact O-CG 3.44Å; S76-E80 PolarHBondContact O-N 3.46Å |
| 77 | K | 98.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 97.5 Ų | 97.5 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 178 | -69.5 | 170.3 | -171 | 167.2 | 0 | 112.4 | S73 D74 I75 L79 A81 | S73-K77 WeakPolarHBondContact O-CG 3.31Å; S73-K77 PolarHBondContact O-N 3.19Å; D74-K77 PolarHBondContact O-N 3.4Å; I75-K77 PolarHBondContact O-N 3.49Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-A81 WeakPolarHBondContact O-CB 3.42Å; K77-A81 PolarHBondContact O-N 2.99Å |
| 78 | R | 98.4 | Very high | 98.2 | Very high | 192 Ų | 192 | 100.2 Ų | 100.2 | 73% | 0.725 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -39.9 | 176.8 | -72.7 | 175.4 | -174.1 | -163.3 | 3.1 | 111.5 | D74 I75 S76 A81 A82 | D74-R78 VanDerWaalsContact O-CG 3.31Å; D74-R78 WeakPolarHBondContact O-CG 3.43Å; D74-R78 PolarHBondContact O-N 2.96Å; D74-R78 VanDerWaalsContact O-N 3.08Å; I75-R78 PolarHBondContact O-N 3.05Å; S76-R78 VanDerWaalsContact C-N 3.34Å; S76-R78 PolarHBondContact O-N 3.34Å; R78-A81 PolarHBondContact O-N 3.21Å; R78-A82 WeakPolarHBondContact O-CB 3.35Å; R78-A82 PolarHBondContact O-N 2.92Å |
| 79 | L | 98.4 | Very high | 98.3 | Very high | 120 Ų | 120 | 99.1 Ų | 99.1 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.5 | -45.7 | 177.4 | -177.3 | 62.8 | 0 | 0 | 0 | 111.3 | I75 S76 K77 A81 A82 N83 | I75-L79 WeakPolarHBondContact O-CB 3.4Å; I75-L79 PolarHBondContact O-N 2.87Å; S76-L79 WeakPolarHBondContact O-CB 3.49Å; S76-L79 PolarHBondContact O-N 2.91Å; K77-L79 VanDerWaalsContact C-N 3.34Å; L79-A81 VanDerWaalsContact C-N 3.35Å; L79-A81 PolarHBondContact O-N 3.34Å; L79-A82 PolarHBondContact O-N 2.98Å; L79-N83 WeakPolarHBondContact O-CB 3.46Å; L79-N83 PolarHBondContact O-N 2.89Å |
| 80 | E | 98.5 | Very high | 98.2 | Very high | 114 Ų | 114 | 101.8 Ų | 101.8 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 175.1 | -75.8 | 169.2 | -164.5 | 0 | 0 | 111.8 | S76 A82 N83 H84 | S76-E80 WeakPolarHBondContact O-CG 3.44Å; S76-E80 PolarHBondContact O-N 3.46Å; E80-A82 PolarHBondContact O-N 3.49Å; E80-N83 PolarHBondContact O-N 3.26Å; E80-H84 PolarHBondContact O-N 3.42Å |
| 81 | A | 98.4 | Very high | 98.2 | Very high | 52 Ų | 52 | 100.7 Ų | 100.7 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K77 R78 L79 N83 H84 M85 | K77-A81 WeakPolarHBondContact O-CB 3.42Å; K77-A81 PolarHBondContact O-N 2.99Å; R78-A81 PolarHBondContact O-N 3.21Å; L79-A81 VanDerWaalsContact C-N 3.35Å; L79-A81 PolarHBondContact O-N 3.34Å; A81-N83 VanDerWaalsContact C-N 3.32Å; A81-N83 PolarHBondContact O-N 3.34Å; A81-H84 PolarHBondContact O-N 3.28Å; A81-M85 WeakPolarHBondContact O-CG 3.46Å; A81-M85 PolarHBondContact O-N 3.45Å |
| 82 | A | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 102.2 Ų | 102.2 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R78 L79 E80 M85 A86 | R78-A82 WeakPolarHBondContact O-CB 3.35Å; R78-A82 PolarHBondContact O-N 2.92Å; L79-A82 PolarHBondContact O-N 2.98Å; E80-A82 PolarHBondContact O-N 3.49Å; A82-M85 PolarHBondContact O-N 3.03Å; A82-A86 PolarHBondContact O-N 3.15Å |
| 83 | N | 98.4 | Very high | 98.1 | Very high | 89 Ų | 89 | 103.5 Ų | 103.5 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 177.9 | -162.6 | 58.4 | 0 | 0 | 0 | 111.4 | L79 E80 A81 M85 A86 E87 | L79-N83 WeakPolarHBondContact O-CB 3.46Å; L79-N83 PolarHBondContact O-N 2.89Å; E80-N83 PolarHBondContact O-N 3.26Å; A81-N83 VanDerWaalsContact C-N 3.32Å; A81-N83 PolarHBondContact O-N 3.34Å; N83-M85 VanDerWaalsContact C-N 3.29Å; N83-M85 PolarHBondContact O-N 2.92Å; N83-A86 WeakPolarHBondContact O-CB 3.47Å; N83-A86 PolarHBondContact O-N 3.37Å; N83-A86 VanDerWaalsContact O-N 3.13Å; N83-E87 PolarHBondContact ND2-OE1 3.27Å; N83-E87 WeakPolarHBondContact O-CG 3.33Å; N83-E87 PolarHBondContact O-N 2.96Å |
| 84 | H | 98.5 | Very high | 97.9 | Very high | 117 Ų | 117 | 104.6 Ų | 104.6 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 174.1 | -81.9 | -43.1 | 0 | 0 | 0 | 113.3 | E80 A81 E87 R88 | E80-H84 PolarHBondContact O-N 3.42Å; A81-H84 PolarHBondContact O-N 3.28Å; H84-E87 IonicContact CE1-OE2 2.74Å; H84-E87 IonicContact ND1-OE2 3.76Å; H84-E87 PolarHBondContact ND1-OE2 3.47Å; H84-E87 VanDerWaalsContact ND1-OE2 3.09Å; H84-R88 WeakPolarHBondContact O-CB 3.41Å; H84-R88 VanDerWaalsContact O-CG 3.25Å; H84-R88 WeakPolarHBondContact O-CG 3.31Å; H84-R88 PolarHBondContact O-N 3.07Å |
| 85 | M | 98.3 | Very high | 97.9 | Very high | 128 Ų | 128 | 106.1 Ų | 106.1 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.1 | -43 | 174 | -73.7 | -179.9 | 63.8 | 0 | 0 | 111.6 | A81 A82 N83 R88 V89 | A81-M85 WeakPolarHBondContact O-CG 3.46Å; A81-M85 PolarHBondContact O-N 3.45Å; A82-M85 PolarHBondContact O-N 3.03Å; N83-M85 VanDerWaalsContact C-N 3.29Å; N83-M85 PolarHBondContact O-N 2.92Å; M85-R88 PolarHBondContact O-N 3.37Å; M85-V89 WeakPolarHBondContact O-CG2 3.42Å; M85-V89 PolarHBondContact O-N 2.91Å |
| 86 | A | 98.1 | Very high | 97.7 | Very high | 56 Ų | 56 | 103.8 Ų | 103.8 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | A82 N83 R88 V89 Q90 | A82-A86 PolarHBondContact O-N 3.15Å; N83-A86 WeakPolarHBondContact O-CB 3.47Å; N83-A86 PolarHBondContact O-N 3.37Å; N83-A86 VanDerWaalsContact O-N 3.13Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 3.13Å; A86-V89 PolarHBondContact O-N 2.94Å; A86-V89 VanDerWaalsContact O-N 3.15Å; A86-Q90 PolarHBondContact O-N 2.97Å |
| 87 | E | 98.3 | Very high | 97.5 | Very high | 93 Ų | 93 | 107.2 Ų | 107.2 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56.5 | -44.8 | 175.2 | -72.9 | 168.9 | 177.7 | 0 | 0 | 111.6 | N83 H84 V89 Q90 Q91 | N83-E87 PolarHBondContact ND2-OE1 3.27Å; N83-E87 WeakPolarHBondContact O-CG 3.33Å; N83-E87 PolarHBondContact O-N 2.96Å; H84-E87 IonicContact CE1-OE2 2.74Å; H84-E87 IonicContact ND1-OE2 3.76Å; H84-E87 PolarHBondContact ND1-OE2 3.47Å; H84-E87 VanDerWaalsContact ND1-OE2 3.09Å; E87-V89 PolarHBondContact O-N 2.75Å; E87-Q90 PolarHBondContact O-N 3.33Å; E87-Q91 WeakPolarHBondContact O-CB 3.46Å; E87-Q91 PolarHBondContact O-N 3.48Å |
| 88 | R | 98.1 | Very high | 97.4 | Very high | 150 Ų | 150 | 106.6 Ų | 106.6 | 57% | 0.566 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.8 | -37.5 | 177.7 | -76.5 | 179.5 | 65 | -170.7 | 0.5 | 113.1 | H84 M85 A86 R92 | H84-R88 WeakPolarHBondContact O-CB 3.41Å; H84-R88 VanDerWaalsContact O-CG 3.25Å; H84-R88 WeakPolarHBondContact O-CG 3.31Å; H84-R88 PolarHBondContact O-N 3.07Å; M85-R88 PolarHBondContact O-N 3.37Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 3.13Å; R88-R92 VanDerWaalsContact O-CG 3.31Å; R88-R92 WeakPolarHBondContact O-CG 3.31Å; R88-R92 PolarHBondContact O-N 3.4Å; R88-R92 VanDerWaalsContact O-N 3.16Å |
| 89 | V | 98.1 | Very high | 97.2 | Very high | 91 Ų | 91 | 100.3 Ų | 100.3 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.7 | -47.8 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 109.8 | M85 A86 E87 Q91 R92 E93 | M85-V89 WeakPolarHBondContact O-CG2 3.42Å; M85-V89 PolarHBondContact O-N 2.91Å; A86-V89 PolarHBondContact O-N 2.94Å; A86-V89 VanDerWaalsContact O-N 3.15Å; E87-V89 PolarHBondContact O-N 2.75Å; V89-Q91 VanDerWaalsContact C-N 3.33Å; V89-Q91 PolarHBondContact O-N 2.95Å; V89-R92 PolarHBondContact O-N 2.92Å; V89-E93 PolarHBondContact O-N 2.99Å |
| 90 | Q | 97.4 | Very high | 97 | Very high | 137 Ų | 137 | 98.8 Ų | 98.8 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.2 | -43.3 | 178 | -174.8 | 178.7 | 1.2 | 0 | 0 | 112 | A86 E87 R92 E93 L94 | A86-Q90 PolarHBondContact O-N 2.97Å; E87-Q90 PolarHBondContact O-N 3.33Å; Q90-R92 PolarHBondContact O-N 3.35Å; Q90-E93 PolarHBondContact O-N 3.32Å; Q90-L94 PolarHBondContact O-N 2.93Å |
| 91 | Q | 97.5 | Very high | 96.8 | Very high | 96 Ų | 96 | 99.1 Ų | 99.1 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 178 | -177.6 | 59.5 | 27.1 | 0 | 0 | 111.9 | E87 V89 E93 L94 E95 | E87-Q91 WeakPolarHBondContact O-CB 3.46Å; E87-Q91 PolarHBondContact O-N 3.48Å; V89-Q91 VanDerWaalsContact C-N 3.33Å; V89-Q91 PolarHBondContact O-N 2.95Å; Q91-E93 VanDerWaalsContact C-N 3.33Å; Q91-E93 PolarHBondContact O-N 3.03Å; Q91-L94 PolarHBondContact O-N 3.47Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.37Å; Q91-E95 PolarHBondContact NE2-OE1 3.16Å; Q91-E95 WeakPolarHBondContact O-CG 3.43Å; Q91-E95 PolarHBondContact O-N 2.99Å |
| 92 | R | 96.8 | Very high | 96.6 | Very high | 149 Ų | 149 | 102.1 Ų | 102.1 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.2 | -38.8 | 177.4 | -76.8 | 173.4 | 173.4 | 179.6 | -4.9 | 112.4 | R88 V89 Q90 E95 A96 | R88-R92 VanDerWaalsContact O-CG 3.31Å; R88-R92 WeakPolarHBondContact O-CG 3.31Å; R88-R92 PolarHBondContact O-N 3.4Å; R88-R92 VanDerWaalsContact O-N 3.16Å; V89-R92 PolarHBondContact O-N 2.92Å; Q90-R92 PolarHBondContact O-N 3.35Å; R92-E95 PolarHBondContact O-N 3.49Å; R92-A96 VanDerWaalsContact O-CB 3.31Å; R92-A96 WeakPolarHBondContact O-CB 3.25Å; R92-A96 PolarHBondContact O-N 3.47Å |
| 93 | E | 96.1 | Very high | 96.4 | Very high | 135 Ų | 135 | 105.6 Ų | 105.6 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 176.5 | -175 | 170.5 | -158.2 | 0 | 0 | 111.1 | V89 Q90 Q91 A96 Q97 | V89-E93 PolarHBondContact O-N 2.99Å; Q90-E93 PolarHBondContact O-N 3.32Å; Q91-E93 VanDerWaalsContact C-N 3.33Å; Q91-E93 PolarHBondContact O-N 3.03Å; E93-A96 PolarHBondContact O-N 3.34Å; E93-Q97 WeakPolarHBondContact O-CB 3.37Å; E93-Q97 PolarHBondContact O-N 3.46Å |
| 94 | L | 96.1 | Very high | 96.3 | Very high | 77 Ų | 77 | 103.9 Ų | 103.9 | 40% | 0.403 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 175.8 | -176.2 | 65.4 | 0 | 0 | 0 | 112.1 | Q90 Q91 Q97 Q98 | Q90-L94 PolarHBondContact O-N 2.93Å; Q91-L94 PolarHBondContact O-N 3.47Å; L94-Q97 PolarHBondContact O-N 3.03Å; L94-Q98 WeakPolarHBondContact O-CG 3.39Å; L94-Q98 PolarHBondContact O-N 3.33Å |
| 95 | E | 96.1 | Very high | 96.1 | Very high | 101 Ų | 101 | 102.7 Ų | 102.7 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 177.3 | -74.1 | 169.8 | -169.8 | 0 | 0 | 111.9 | Q91 R92 Q98 S99 | Q91-E95 WeakPolarHBondContact CG-OE1 3.37Å; Q91-E95 PolarHBondContact NE2-OE1 3.16Å; Q91-E95 WeakPolarHBondContact O-CG 3.43Å; Q91-E95 PolarHBondContact O-N 2.99Å; R92-E95 PolarHBondContact O-N 3.49Å; E95-Q98 PolarHBondContact O-N 3.23Å; E95-S99 WeakPolarHBondContact O-CB 3.47Å; E95-S99 PolarHBondContact O-N 3.12Å |
| 96 | A | 95.3 | Very high | 95.9 | Very high | 55 Ų | 55 | 102.3 Ų | 102.3 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R92 E93 S99 T100 | R92-A96 VanDerWaalsContact O-CB 3.31Å; R92-A96 WeakPolarHBondContact O-CB 3.25Å; R92-A96 PolarHBondContact O-N 3.47Å; E93-A96 PolarHBondContact O-N 3.34Å; A96-S99 PolarHBondContact O-N 3.4Å; A96-T100 WeakPolarHBondContact O-CB 3.35Å; A96-T100 PolarHBondContact O-N 2.89Å; A96-T100 PolarHBondContact O-OG1 3.45Å |
| 97 | Q | 94.8 | Very high | 95.8 | Very high | 128 Ų | 128 | 105.9 Ų | 105.9 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.7 | -46.2 | 176.6 | -170.7 | -179.8 | 9.4 | 0 | 0 | 111.5 | E93 L94 S99 T100 Q101 | E93-Q97 WeakPolarHBondContact O-CB 3.37Å; E93-Q97 PolarHBondContact O-N 3.46Å; L94-Q97 PolarHBondContact O-N 3.03Å; Q97-S99 PolarHBondContact O-N 3.09Å; Q97-T100 PolarHBondContact O-N 2.97Å; Q97-Q101 PolarHBondContact O-N 2.92Å |
| 98 | Q | 94.4 | Very high | 95.8 | Very high | 106 Ų | 106 | 107.3 Ų | 107.3 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176 | -73.3 | 178.8 | -1.8 | 0 | 0 | 111.8 | L94 E95 T100 Q101 L102 | L94-Q98 WeakPolarHBondContact O-CG 3.39Å; L94-Q98 PolarHBondContact O-N 3.33Å; E95-Q98 PolarHBondContact O-N 3.23Å; Q98-T100 PolarHBondContact O-N 2.99Å; Q98-Q101 PolarHBondContact O-N 3.3Å; Q98-L102 WeakPolarHBondContact O-CG 3.49Å; Q98-L102 PolarHBondContact O-N 3.48Å |
| 99 | S | 94.6 | Very high | 95.7 | Very high | 59 Ų | 59 | 105.8 Ų | 105.8 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 177 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | E95 A96 Q97 Q101 L102 Q103 | E95-S99 WeakPolarHBondContact O-CB 3.47Å; E95-S99 PolarHBondContact O-N 3.12Å; A96-S99 PolarHBondContact O-N 3.4Å; Q97-S99 PolarHBondContact O-N 3.09Å; S99-Q101 VanDerWaalsContact C-N 3.35Å; S99-Q101 PolarHBondContact O-N 2.99Å; S99-L102 PolarHBondContact O-N 3.37Å; S99-Q103 WeakPolarHBondContact O-CG 3.47Å; S99-Q103 PolarHBondContact O-N 3.31Å |
| 100 | T | 94.5 | Very high | 95.6 | Very high | 89 Ų | 89 | 108.2 Ų | 108.2 | 55% | 0.546 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 177.7 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | A96 Q97 Q98 Q103 A104 | A96-T100 WeakPolarHBondContact O-CB 3.35Å; A96-T100 PolarHBondContact O-N 2.89Å; A96-T100 PolarHBondContact O-OG1 3.45Å; Q97-T100 PolarHBondContact O-N 2.97Å; Q98-T100 PolarHBondContact O-N 2.99Å; T100-Q103 PolarHBondContact O-N 3.48Å; T100-A104 PolarHBondContact O-N 2.87Å |
| 101 | Q | 95.3 | Very high | 95.6 | Very high | 121 Ų | 121 | 107.8 Ų | 107.8 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 177.2 | -171.7 | 176.2 | 5.7 | 0 | 0 | 112.2 | Q97 Q98 S99 A104 N105 | Q97-Q101 PolarHBondContact O-N 2.92Å; Q98-Q101 PolarHBondContact O-N 3.3Å; S99-Q101 VanDerWaalsContact C-N 3.35Å; S99-Q101 PolarHBondContact O-N 2.99Å; Q101-A104 PolarHBondContact O-N 3Å; Q101-N105 WeakPolarHBondContact O-CB 3.37Å; Q101-N105 VanDerWaalsContact O-CG 3.26Å; Q101-N105 PolarHBondContact O-N 2.99Å; Q101-N105 PolarHBondContact O-ND2 3.42Å |
| 102 | L | 94.1 | Very high | 95.5 | Very high | 114 Ų | 114 | 106.9 Ų | 106.9 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 174.7 | -74.7 | 170.3 | 0 | 0 | 0 | 111.6 | Q98 S99 N105 M106 | Q98-L102 WeakPolarHBondContact O-CG 3.49Å; Q98-L102 PolarHBondContact O-N 3.48Å; S99-L102 PolarHBondContact O-N 3.37Å; L102-N105 PolarHBondContact O-N 3.5Å; L102-M106 WeakPolarHBondContact O-CG 3.4Å; L102-M106 PolarHBondContact O-N 2.94Å |
| 103 | Q | 94.8 | Very high | 95.6 | Very high | 126 Ų | 126 | 107 Ų | 107 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.2 | -48.5 | 176.3 | -75.3 | 179.3 | -8.9 | 0 | 0 | 111.7 | S99 T100 N105 M106 E107 | S99-Q103 WeakPolarHBondContact O-CG 3.47Å; S99-Q103 PolarHBondContact O-N 3.31Å; T100-Q103 PolarHBondContact O-N 3.48Å; Q103-N105 VanDerWaalsContact C-N 3.31Å; Q103-N105 PolarHBondContact O-N 3.29Å; Q103-M106 WeakPolarHBondContact O-CB 3.46Å; Q103-M106 PolarHBondContact O-N 2.89Å; Q103-M106 VanDerWaalsContact O-N 3.12Å; Q103-E107 PolarHBondContact O-N 3.41Å |
| 104 | A | 95.4 | Very high | 95.6 | Very high | 53 Ų | 53 | 103.3 Ų | 103.3 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | T100 Q101 M106 E107 K108 | T100-A104 PolarHBondContact O-N 2.87Å; Q101-A104 PolarHBondContact O-N 3Å; A104-M106 PolarHBondContact O-N 3.36Å; A104-E107 PolarHBondContact O-N 2.93Å; A104-K108 PolarHBondContact O-N 3.37Å |
| 105 | N | 95 | Very high | 95.7 | Very high | 92 Ų | 92 | 106.2 Ų | 106.2 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.7 | -73.5 | -18.7 | 0 | 0 | 0 | 112.3 | Q101 L102 Q103 L109 | Q101-N105 WeakPolarHBondContact O-CB 3.37Å; Q101-N105 VanDerWaalsContact O-CG 3.26Å; Q101-N105 PolarHBondContact O-N 2.99Å; Q101-N105 PolarHBondContact O-ND2 3.42Å; L102-N105 PolarHBondContact O-N 3.5Å; Q103-N105 VanDerWaalsContact C-N 3.31Å; Q103-N105 PolarHBondContact O-N 3.29Å; N105-L109 WeakPolarHBondContact O-CB 3.39Å; N105-L109 PolarHBondContact O-N 3.36Å |
| 106 | M | 93.8 | Very high | 95.8 | Very high | 120 Ų | 120 | 106 Ų | 106 | 59% | 0.591 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.3 | -39 | 176.5 | -74.9 | -174.2 | 72.9 | 0 | 0 | 112.3 | L102 Q103 A104 L109 K110 | L102-M106 WeakPolarHBondContact O-CG 3.4Å; L102-M106 PolarHBondContact O-N 2.94Å; Q103-M106 WeakPolarHBondContact O-CB 3.46Å; Q103-M106 PolarHBondContact O-N 2.89Å; Q103-M106 VanDerWaalsContact O-N 3.12Å; A104-M106 PolarHBondContact O-N 3.36Å; M106-L109 PolarHBondContact O-N 3.05Å; M106-K110 WeakPolarHBondContact O-CG 3.42Å; M106-K110 PolarHBondContact O-N 3.15Å; M106-K110 VanDerWaalsContact O-N 3.11Å |
| 107 | E | 96.1 | Very high | 95.8 | Very high | 132 Ų | 132 | 107.5 Ų | 107.5 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.4 | -48.2 | 176.2 | -122.6 | 164.9 | -163.2 | 0 | 0 | 110.9 | Q103 A104 L109 K110 E111 | Q103-E107 PolarHBondContact O-N 3.41Å; A104-E107 PolarHBondContact O-N 2.93Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 3.43Å; E107-K110 WeakPolarHBondContact O-CB 3.39Å; E107-K110 PolarHBondContact O-N 3.08Å; E107-K110 VanDerWaalsContact O-N 3.08Å; E107-E111 PolarHBondContact O-N 3.04Å |
| 108 | K | 96.8 | Very high | 96 | Very high | 123 Ų | 123 | 109.3 Ų | 109.3 | 54% | 0.535 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.2 | -45.7 | 174.7 | -173 | -178.1 | 177.4 | -176.7 | 0 | 112.2 | A104 K110 E111 D112 | A104-K108 PolarHBondContact O-N 3.37Å; K108-K110 VanDerWaalsContact C-N 3.25Å; K108-K110 PolarHBondContact O-N 3.45Å; K108-E111 WeakPolarHBondContact O-CB 3.5Å; K108-E111 PolarHBondContact O-N 3.23Å; K108-E111 VanDerWaalsContact O-N 3.15Å; K108-D112 WeakPolarHBondContact O-CB 3.24Å; K108-D112 VanDerWaalsContact O-CG 3.27Å; K108-D112 PolarHBondContact O-N 2.93Å |
| 109 | L | 96.3 | Very high | 96.1 | Very high | 118 Ų | 118 | 108 Ų | 108 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.2 | -35.5 | 178.5 | -175.4 | 67.8 | 0 | 0 | 0 | 112.2 | N105 M106 E107 W113 | N105-L109 WeakPolarHBondContact O-CB 3.39Å; N105-L109 PolarHBondContact O-N 3.36Å; M106-L109 PolarHBondContact O-N 3.05Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 3.43Å; L109-W113 VanDerWaalsContact O-CB 3.24Å; L109-W113 WeakPolarHBondContact O-CB 3.37Å; L109-W113 PolarHBondContact O-N 3.11Å |
| 110 | K | 96.3 | Very high | 96.2 | Very high | 142 Ų | 142 | 109.5 Ų | 109.5 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.4 | -41.2 | 175.5 | -73.6 | 173.2 | -179.2 | 176.3 | 0 | 111.8 | M106 E107 K108 W113 A114 | M106-K110 WeakPolarHBondContact O-CG 3.42Å; M106-K110 PolarHBondContact O-N 3.15Å; M106-K110 VanDerWaalsContact O-N 3.11Å; E107-K110 WeakPolarHBondContact O-CB 3.39Å; E107-K110 PolarHBondContact O-N 3.08Å; E107-K110 VanDerWaalsContact O-N 3.08Å; K108-K110 VanDerWaalsContact C-N 3.25Å; K108-K110 PolarHBondContact O-N 3.45Å; K110-W113 PolarHBondContact O-N 2.94Å; K110-A114 WeakPolarHBondContact O-CB 3.5Å; K110-A114 PolarHBondContact O-N 2.97Å |
| 111 | E | 96.9 | Very high | 96.3 | Very high | 127 Ų | 127 | 111 Ų | 111 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.4 | -51.8 | 175 | -69.9 | 177.7 | 167.8 | 0 | 0 | 110.5 | E107 K108 W113 A114 E115 | E107-E111 PolarHBondContact O-N 3.04Å; K108-E111 WeakPolarHBondContact O-CB 3.5Å; K108-E111 PolarHBondContact O-N 3.23Å; K108-E111 VanDerWaalsContact O-N 3.15Å; E111-W113 PolarHBondContact O-N 2.87Å; E111-A114 WeakPolarHBondContact O-CB 3.48Å; E111-A114 PolarHBondContact O-N 3.3Å; E111-E115 PolarHBondContact O-N 2.96Å |
| 112 | D | 97.1 | Very high | 96.5 | Very high | 77 Ų | 77 | 110.2 Ų | 110.2 | 41% | 0.412 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -55.4 | -40.8 | 176.8 | -67.4 | -16.8 | 0 | 0 | 0 | 111 | K108 F116 | K108-D112 WeakPolarHBondContact O-CB 3.24Å; K108-D112 VanDerWaalsContact O-CG 3.27Å; K108-D112 PolarHBondContact O-N 2.93Å; D112-F116 WeakPolarHBondContact O-CB 3.47Å; D112-F116 PolarHBondContact O-N 2.99Å |
| 113 | W | 96.9 | Very high | 96.6 | Very high | 151 Ų | 151 | 108 Ų | 108 | 57% | 0.572 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69 | -38.9 | 177.3 | -171.5 | -109.5 | 0 | 0 | 0 | 113.1 | L109 K110 E111 F116 L117 | L109-W113 VanDerWaalsContact O-CB 3.24Å; L109-W113 WeakPolarHBondContact O-CB 3.37Å; L109-W113 PolarHBondContact O-N 3.11Å; K110-W113 PolarHBondContact O-N 2.94Å; E111-W113 PolarHBondContact O-N 2.87Å; W113-F116 AromaticContact CE3-CD1 3.99Å; W113-F116 HydrophobicContact CE3-CD1 3.99Å; W113-F116 HydrophobicContact CH2-CD1 4.11Å; W113-F116 HydrophobicContact CH2-CE1 4.08Å; W113-F116 AromaticContact CZ3-CD1 3.73Å; W113-F116 HydrophobicContact CZ3-CD1 3.73Å; W113-F116 AromaticContact CZ3-CE1 3.98Å; W113-F116 HydrophobicContact CZ3-CE1 3.98Å; W113-F116 PolarHBondContact O-N 3.01Å; W113-L117 HydrophobicContact CZ2-CD2 4.33Å; W113-L117 WeakPolarHBondContact O-CG 3.49Å; W113-L117 PolarHBondContact O-N 3.24Å |
| 114 | A | 97.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 108.4 Ų | 108.4 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K110 E111 L117 K118 | K110-A114 WeakPolarHBondContact O-CB 3.5Å; K110-A114 PolarHBondContact O-N 2.97Å; E111-A114 WeakPolarHBondContact O-CB 3.48Å; E111-A114 PolarHBondContact O-N 3.3Å; A114-L117 PolarHBondContact O-N 3.39Å; A114-K118 WeakPolarHBondContact O-CB 3.39Å; A114-K118 PolarHBondContact O-N 3.27Å |
| 115 | E | 97.4 | Very high | 96.8 | Very high | 139 Ų | 139 | 110.9 Ų | 110.9 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 173.3 | -70.8 | -170.5 | 169.8 | 0 | 0 | 111.4 | E111 L117 K118 E119 | E111-E115 PolarHBondContact O-N 2.96Å; E115-L117 PolarHBondContact O-N 2.99Å; E115-K118 PolarHBondContact O-N 3.03Å; E115-E119 PolarHBondContact O-N 3.43Å |
| 116 | F | 97.6 | Very high | 96.9 | Very high | 97 Ų | 97 | 110.5 Ų | 110.5 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 175.8 | 174.9 | -102.2 | 0 | 0 | 0 | 112.1 | D112 W113 K118 E119 Q120 | D112-F116 WeakPolarHBondContact O-CB 3.47Å; D112-F116 PolarHBondContact O-N 2.99Å; W113-F116 AromaticContact CE3-CD1 3.99Å; W113-F116 HydrophobicContact CE3-CD1 3.99Å; W113-F116 HydrophobicContact CH2-CD1 4.11Å; W113-F116 HydrophobicContact CH2-CE1 4.08Å; W113-F116 AromaticContact CZ3-CD1 3.73Å; W113-F116 HydrophobicContact CZ3-CD1 3.73Å; W113-F116 AromaticContact CZ3-CE1 3.98Å; W113-F116 HydrophobicContact CZ3-CE1 3.98Å; W113-F116 PolarHBondContact O-N 3.01Å; F116-K118 VanDerWaalsContact C-N 3.33Å; F116-K118 PolarHBondContact O-N 3.43Å; F116-E119 PolarHBondContact O-N 2.94Å; F116-Q120 HydrophobicContact CD1-CG 4.15Å; F116-Q120 HydrophobicContact CD2-CG 4.36Å; F116-Q120 HydrophobicContact CE1-CG 3.65Å; F116-Q120 HydrophobicContact CE2-CG 3.89Å; F116-Q120 HydrophobicContact CG-CG 4.48Å; F116-Q120 HydrophobicContact CZ-CG 3.51Å; F116-Q120 WeakPolarHBondContact O-CG 3.46Å; F116-Q120 PolarHBondContact O-N 2.75Å |
| 117 | L | 97.3 | Very high | 97 | Very high | 86 Ų | 86 | 109.1 Ų | 109.1 | 45% | 0.45 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 178.8 | -74.5 | 177.7 | 0 | 0 | 0 | 112.5 | W113 A114 E115 E119 Q120 Q121 | W113-L117 HydrophobicContact CZ2-CD2 4.33Å; W113-L117 WeakPolarHBondContact O-CG 3.49Å; W113-L117 PolarHBondContact O-N 3.24Å; A114-L117 PolarHBondContact O-N 3.39Å; E115-L117 PolarHBondContact O-N 2.99Å; L117-E119 VanDerWaalsContact C-N 3.33Å; L117-Q120 PolarHBondContact O-N 3.23Å; L117-Q121 PolarHBondContact O-N 2.7Å |
| 118 | K | 97.6 | Very high | 97.1 | Very high | 165 Ų | 165 | 107 Ų | 107 | 72% | 0.717 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -43.1 | 175.7 | -174.9 | -179.2 | 177.7 | -175.2 | 0 | 111.3 | A114 E115 F116 Q121 R122 | A114-K118 WeakPolarHBondContact O-CB 3.39Å; A114-K118 PolarHBondContact O-N 3.27Å; E115-K118 PolarHBondContact O-N 3.03Å; F116-K118 VanDerWaalsContact C-N 3.33Å; F116-K118 PolarHBondContact O-N 3.43Å; K118-Q121 PolarHBondContact O-N 3.45Å; K118-R122 PolarHBondContact O-N 2.89Å |
| 119 | E | 97.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 106.4 Ų | 106.4 | 37% | 0.369 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 177.1 | -176.1 | 57.5 | -161.9 | 0 | 0 | 112.1 | E115 F116 L117 Q121 R122 L123 | E115-E119 PolarHBondContact O-N 3.43Å; F116-E119 PolarHBondContact O-N 2.94Å; L117-E119 VanDerWaalsContact C-N 3.33Å; E119-Q121 VanDerWaalsContact C-N 3.29Å; E119-Q121 PolarHBondContact O-N 2.99Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 2.91Å; E119-R122 IonicContact OE1-CZ 2.6Å; E119-R122 VanDerWaalsContact OE1-CZ 3.3Å; E119-R122 IonicContact OE1-NE 3.65Å; E119-R122 PolarHBondContact OE1-NE 3.39Å; E119-R122 VanDerWaalsContact OE1-NE 3.08Å; E119-R122 IonicContact OE1-NH2 3.89Å; E119-R122 PolarHBondContact OE1-NH2 3.31Å; E119-R122 IonicContact OE2-CZ 3.84Å; E119-R122 IonicContact OE2-NE 3.09Å; E119-R122 PolarHBondContact OE2-NE 2.92Å; E119-L123 HydrophobicContact CG-CD1 4.29Å; E119-L123 WeakPolarHBondContact O-CG 3.19Å; E119-L123 PolarHBondContact O-N 3.4Å |
| 120 | Q | 96.9 | Very high | 97 | Very high | 91 Ų | 91 | 106.6 Ų | 106.6 | 43% | 0.425 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 173.9 | -71.4 | -56.1 | -70.3 | 0 | 0 | 112.2 | F116 L117 K124 | F116-Q120 HydrophobicContact CD1-CG 4.15Å; F116-Q120 HydrophobicContact CD2-CG 4.36Å; F116-Q120 HydrophobicContact CE1-CG 3.65Å; F116-Q120 HydrophobicContact CE2-CG 3.89Å; F116-Q120 HydrophobicContact CG-CG 4.48Å; F116-Q120 HydrophobicContact CZ-CG 3.51Å; F116-Q120 WeakPolarHBondContact O-CG 3.46Å; F116-Q120 PolarHBondContact O-N 2.75Å; L117-Q120 PolarHBondContact O-N 3.23Å; Q120-K124 WeakPolarHBondContact O-CB 3.41Å; Q120-K124 PolarHBondContact O-N 2.94Å |
| 121 | Q | 96.8 | Very high | 97 | Very high | 119 Ų | 119 | 105.8 Ų | 105.8 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.9 | -44.6 | 175.5 | 179.4 | 161.6 | -7.1 | 0 | 0 | 111.7 | L117 K118 E119 L123 K124 E125 | L117-Q121 PolarHBondContact O-N 2.7Å; K118-Q121 PolarHBondContact O-N 3.45Å; E119-Q121 VanDerWaalsContact C-N 3.29Å; E119-Q121 PolarHBondContact O-N 2.99Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 3.08Å; Q121-K124 WeakPolarHBondContact O-CB 3.39Å; Q121-K124 PolarHBondContact O-N 2.94Å; Q121-E125 HydrophobicContact CG-CG 4.45Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.48Å; Q121-E125 PolarHBondContact NE2-OE1 3.36Å; Q121-E125 WeakPolarHBondContact O-CG 3.48Å; Q121-E125 PolarHBondContact O-N 3.2Å |
| 122 | R | 97.8 | Very high | 97 | Very high | 106 Ų | 106 | 102.6 Ų | 102.6 | 40% | 0.4 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.7 | -47.8 | 176 | -169.5 | -163.2 | 70 | 69.2 | 0.7 | 111.6 | K118 E119 K124 E125 E126 | K118-R122 PolarHBondContact O-N 2.89Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 2.91Å; E119-R122 IonicContact OE1-CZ 2.6Å; E119-R122 VanDerWaalsContact OE1-CZ 3.3Å; E119-R122 IonicContact OE1-NE 3.65Å; E119-R122 PolarHBondContact OE1-NE 3.39Å; E119-R122 VanDerWaalsContact OE1-NE 3.08Å; E119-R122 IonicContact OE1-NH2 3.89Å; E119-R122 PolarHBondContact OE1-NH2 3.31Å; E119-R122 IonicContact OE2-CZ 3.84Å; E119-R122 IonicContact OE2-NE 3.09Å; E119-R122 PolarHBondContact OE2-NE 2.92Å; R122-K124 VanDerWaalsContact C-N 3.33Å; R122-K124 PolarHBondContact O-N 2.69Å; R122-E125 PolarHBondContact O-N 3.43Å; R122-E126 IonicContact CZ-OE2 2.7Å; R122-E126 IonicContact NH1-OE2 2.99Å; R122-E126 PolarHBondContact NH1-OE2 3.01Å; R122-E126 IonicContact NH2-OE2 3.08Å; R122-E126 PolarHBondContact O-N 2.97Å |
| 123 | L | 97.6 | Very high | 97 | Very high | 67 Ų | 67 | 104.4 Ų | 104.4 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 178.3 | -73.5 | 169.7 | 0 | 0 | 0 | 112 | E119 Q121 E126 V127 | E119-L123 HydrophobicContact CG-CD1 4.29Å; E119-L123 WeakPolarHBondContact O-CG 3.19Å; E119-L123 PolarHBondContact O-N 3.4Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 3.08Å; L123-E126 PolarHBondContact O-N 3.34Å; L123-V127 WeakPolarHBondContact O-CG2 3.33Å; L123-V127 PolarHBondContact O-N 3.43Å; L123-V127 VanDerWaalsContact O-N 3.08Å |
| 124 | K | 96.8 | Very high | 96.9 | Very high | 134 Ų | 134 | 99.3 Ų | 99.3 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.6 | -47.2 | 175.5 | -176.3 | -170.8 | 170.8 | -169.5 | 0 | 111.4 | Q120 Q121 R122 E126 V127 D128 | Q120-K124 WeakPolarHBondContact O-CB 3.41Å; Q120-K124 PolarHBondContact O-N 2.94Å; Q121-K124 WeakPolarHBondContact O-CB 3.39Å; Q121-K124 PolarHBondContact O-N 2.94Å; R122-K124 VanDerWaalsContact C-N 3.33Å; R122-K124 PolarHBondContact O-N 2.69Å; K124-E126 VanDerWaalsContact C-N 3.29Å; K124-E126 PolarHBondContact O-N 3.08Å; K124-V127 PolarHBondContact O-N 3.46Å; K124-D128 WeakPolarHBondContact O-CB 3.46Å; K124-D128 PolarHBondContact O-N 3.03Å |
| 125 | E | 96.7 | Very high | 96.8 | Very high | 105 Ų | 105 | 100.1 Ų | 100.1 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 179.1 | -72.6 | 170.1 | -173.2 | 0 | 0 | 111.6 | Q121 R122 D128 E129 | Q121-E125 HydrophobicContact CG-CG 4.45Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.48Å; Q121-E125 PolarHBondContact NE2-OE1 3.36Å; Q121-E125 WeakPolarHBondContact O-CG 3.48Å; Q121-E125 PolarHBondContact O-N 3.2Å; R122-E125 PolarHBondContact O-N 3.43Å; E125-D128 PolarHBondContact O-N 3.4Å; E125-E129 WeakPolarHBondContact O-CB 3.41Å; E125-E129 PolarHBondContact O-N 2.96Å |
| 126 | E | 96.7 | Very high | 96.6 | Very high | 85 Ų | 85 | 95.1 Ų | 95.1 | 40% | 0.397 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 174.9 | -175.6 | 169.9 | -166.6 | 0 | 0 | 111.9 | R122 L123 K124 E129 E130 | R122-E126 IonicContact CZ-OE2 2.7Å; R122-E126 IonicContact NH1-OE2 2.99Å; R122-E126 PolarHBondContact NH1-OE2 3.01Å; R122-E126 IonicContact NH2-OE2 3.08Å; R122-E126 PolarHBondContact O-N 2.97Å; L123-E126 PolarHBondContact O-N 3.34Å; K124-E126 VanDerWaalsContact C-N 3.29Å; K124-E126 PolarHBondContact O-N 3.08Å; E126-E129 PolarHBondContact O-N 3.27Å; E126-E130 WeakPolarHBondContact O-CG 3.38Å; E126-E130 PolarHBondContact O-N 3.45Å |
| 127 | V | 97.6 | Very high | 96.5 | Very high | 90 Ų | 90 | 96.1 Ų | 96.1 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | L123 K124 E129 E130 H131 | L123-V127 WeakPolarHBondContact O-CG2 3.33Å; L123-V127 PolarHBondContact O-N 3.43Å; L123-V127 VanDerWaalsContact O-N 3.08Å; K124-V127 PolarHBondContact O-N 3.46Å; V127-E129 VanDerWaalsContact C-N 3.31Å; V127-E129 PolarHBondContact O-N 3.13Å; V127-E130 PolarHBondContact O-N 2.9Å; V127-H131 VanDerWaalsContact O-CB 3.29Å; V127-H131 WeakPolarHBondContact O-CB 3.46Å; V127-H131 PolarHBondContact O-N 3.45Å |
| 128 | D | 97 | Very high | 96.4 | Very high | 87 Ų | 87 | 96.4 Ų | 96.4 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 178.1 | -76.4 | -22.7 | 0 | 0 | 0 | 110.9 | K124 E125 A132 | K124-D128 WeakPolarHBondContact O-CB 3.46Å; K124-D128 PolarHBondContact O-N 3.03Å; E125-D128 PolarHBondContact O-N 3.4Å; D128-A132 WeakPolarHBondContact O-CB 3.41Å; D128-A132 PolarHBondContact O-N 2.96Å |
| 129 | E | 96.3 | Very high | 96.1 | Very high | 111 Ų | 111 | 91.9 Ų | 91.9 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 176.3 | -168.5 | -174.8 | 159.5 | 0 | 0 | 112.1 | E125 E126 V127 H131 A132 K133 | E125-E129 WeakPolarHBondContact O-CB 3.41Å; E125-E129 PolarHBondContact O-N 2.96Å; E126-E129 PolarHBondContact O-N 3.27Å; V127-E129 VanDerWaalsContact C-N 3.31Å; V127-E129 PolarHBondContact O-N 3.13Å; E129-H131 VanDerWaalsContact C-N 3.34Å; E129-H131 PolarHBondContact O-N 2.97Å; E129-A132 PolarHBondContact O-N 3.31Å; E129-K133 WeakPolarHBondContact O-CG 3.29Å; E129-K133 PolarHBondContact O-N 3.49Å; E129-K133 WeakPolarHBondContact OE1-CE 3.34Å; E129-K133 IonicContact OE1-NZ 2.69Å; E129-K133 PolarHBondContact OE1-NZ 3.4Å |
| 130 | E | 96 | Very high | 95.9 | Very high | 122 Ų | 122 | 91.8 Ų | 91.8 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60 | -44.3 | 174.9 | -75.9 | -171 | 165.2 | 0 | 0 | 111.7 | E126 V127 K133 A134 | E126-E130 WeakPolarHBondContact O-CG 3.38Å; E126-E130 PolarHBondContact O-N 3.45Å; V127-E130 PolarHBondContact O-N 2.9Å; E130-K133 PolarHBondContact O-N 2.89Å; E130-A134 PolarHBondContact O-N 3.33Å |
| 131 | H | 96 | Very high | 95.6 | Very high | 125 Ų | 125 | 95.8 Ų | 95.8 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 176.7 | 179.9 | -92.2 | 0 | 0 | 0 | 111.4 | V127 E129 K133 A134 V135 | V127-H131 VanDerWaalsContact O-CB 3.29Å; V127-H131 WeakPolarHBondContact O-CB 3.46Å; V127-H131 PolarHBondContact O-N 3.45Å; E129-H131 VanDerWaalsContact C-N 3.34Å; E129-H131 PolarHBondContact O-N 2.97Å; H131-K133 VanDerWaalsContact C-N 3.34Å; H131-K133 PolarHBondContact O-N 3.41Å; H131-A134 PolarHBondContact O-N 2.95Å; H131-V135 WeakPolarHBondContact O-CG2 3.33Å; H131-V135 PolarHBondContact O-N 3.39Å |
| 132 | A | 96.3 | Very high | 95.3 | Very high | 61 Ų | 61 | 97 Ų | 97 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | D128 E129 G136 | D128-A132 WeakPolarHBondContact O-CB 3.41Å; D128-A132 PolarHBondContact O-N 2.96Å; E129-A132 PolarHBondContact O-N 3.31Å; A132-G136 PolarHBondContact O-N 2.93Å |
| 133 | K | 96.1 | Very high | 94.9 | Very high | 115 Ų | 115 | 95 Ų | 95 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -50.8 | 174 | -74.3 | 172 | -174.9 | 161.2 | 0 | 111.3 | E129 E130 H131 V135 G136 E137 | E129-K133 WeakPolarHBondContact O-CG 3.29Å; E129-K133 PolarHBondContact O-N 3.49Å; E129-K133 WeakPolarHBondContact OE1-CE 3.34Å; E129-K133 IonicContact OE1-NZ 2.69Å; E129-K133 PolarHBondContact OE1-NZ 3.4Å; E130-K133 PolarHBondContact O-N 2.89Å; H131-K133 VanDerWaalsContact C-N 3.34Å; H131-K133 PolarHBondContact O-N 3.41Å; K133-V135 PolarHBondContact O-N 3.46Å; K133-G136 PolarHBondContact O-N 2.88Å; K133-G136 VanDerWaalsContact O-N 3.13Å; K133-E137 WeakPolarHBondContact O-CG 3.48Å; K133-E137 PolarHBondContact O-N 2.76Å |
| 134 | A | 95.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 96.8 Ų | 96.8 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E130 H131 E137 I138 | E130-A134 PolarHBondContact O-N 3.33Å; H131-A134 PolarHBondContact O-N 2.95Å; A134-E137 PolarHBondContact O-N 3.4Å; A134-I138 WeakPolarHBondContact O-CB 3.36Å; A134-I138 VanDerWaalsContact O-CG1 3.25Å; A134-I138 WeakPolarHBondContact O-CG1 3.43Å; A134-I138 PolarHBondContact O-N 2.9Å |
| 135 | V | 95.4 | Very high | 94 | Very high | 75 Ų | 75 | 97.1 Ų | 97.1 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | H131 K133 I138 S139 | H131-V135 WeakPolarHBondContact O-CG2 3.33Å; H131-V135 PolarHBondContact O-N 3.39Å; K133-V135 PolarHBondContact O-N 3.46Å; V135-I138 PolarHBondContact O-N 3.32Å; V135-S139 WeakPolarHBondContact O-CB 3.44Å; V135-S139 PolarHBondContact O-N 2.94Å |
| 136 | G | 94.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 99.3 Ų | 99.3 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A132 K133 S139 T140 | A132-G136 PolarHBondContact O-N 2.93Å; K133-G136 PolarHBondContact O-N 2.88Å; K133-G136 VanDerWaalsContact O-N 3.13Å; G136-S139 PolarHBondContact O-N 3.41Å; G136-T140 WeakPolarHBondContact O-CB 3.49Å; G136-T140 PolarHBondContact O-N 3.31Å; G136-T140 PolarHBondContact O-OG1 3.43Å |
| 137 | E | 94.8 | Very high | 92.8 | Very high | 118 Ų | 118 | 102.3 Ų | 102.3 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 175.2 | -72.6 | -179.6 | -173 | 0 | 0 | 111.8 | K133 A134 S139 T140 R141 | K133-E137 WeakPolarHBondContact O-CG 3.48Å; K133-E137 PolarHBondContact O-N 2.76Å; A134-E137 PolarHBondContact O-N 3.4Å; E137-S139 PolarHBondContact O-N 3.39Å; E137-T140 PolarHBondContact O-N 3.25Å; E137-R141 WeakPolarHBondContact O-CG 3.46Å; E137-R141 PolarHBondContact O-N 2.86Å |
| 138 | I | 94.4 | Very high | 92.1 | Very high | 92 Ų | 92 | 101.8 Ų | 101.8 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 177.1 | -71.4 | 168.3 | 0 | 0 | 0 | 110.4 | A134 V135 T140 R141 F142 | A134-I138 WeakPolarHBondContact O-CB 3.36Å; A134-I138 VanDerWaalsContact O-CG1 3.25Å; A134-I138 WeakPolarHBondContact O-CG1 3.43Å; A134-I138 PolarHBondContact O-N 2.9Å; V135-I138 PolarHBondContact O-N 3.32Å; I138-T140 VanDerWaalsContact C-N 3.3Å; I138-T140 PolarHBondContact O-N 2.97Å; I138-R141 PolarHBondContact O-N 3.06Å; I138-F142 HydrophobicContact CG2-CD2 3.53Å; I138-F142 HydrophobicContact CG2-CE2 3.48Å; I138-F142 VanDerWaalsContact CG2-CE2 3.48Å; I138-F142 VanDerWaalsContact O-CD2 3.24Å; I138-F142 WeakPolarHBondContact O-CD2 3.38Å; I138-F142 PolarHBondContact O-N 2.97Å |
| 139 | S | 92.9 | Very high | 91.1 | Very high | 69 Ų | 69 | 102.9 Ų | 102.9 | 48% | 0.483 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | -179.9 | -159.1 | 0 | 0 | 0 | 0 | 112.2 | V135 G136 E137 F142 S143 | V135-S139 WeakPolarHBondContact O-CB 3.44Å; V135-S139 PolarHBondContact O-N 2.94Å; G136-S139 PolarHBondContact O-N 3.41Å; E137-S139 PolarHBondContact O-N 3.39Å; S139-F142 PolarHBondContact O-N 2.95Å; S139-S143 WeakPolarHBondContact O-CB 3.41Å; S139-S143 PolarHBondContact O-N 2.93Å; S139-S143 PolarHBondContact O-OG 2.92Å |
| 140 | T | 92.4 | Very high | 90.1 | Very high | 77 Ų | 77 | 102 Ų | 102 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -51.4 | 174.2 | -54.8 | 0 | 0 | 0 | 0 | 111 | G136 E137 I138 F142 S143 E144 | G136-T140 WeakPolarHBondContact O-CB 3.49Å; G136-T140 PolarHBondContact O-N 3.31Å; G136-T140 PolarHBondContact O-OG1 3.43Å; E137-T140 PolarHBondContact O-N 3.25Å; I138-T140 VanDerWaalsContact C-N 3.3Å; I138-T140 PolarHBondContact O-N 2.97Å; T140-F142 VanDerWaalsContact C-N 3.33Å; T140-F142 PolarHBondContact O-N 3Å; T140-S143 WeakPolarHBondContact O-CB 3.41Å; T140-S143 PolarHBondContact O-N 3.47Å; T140-E144 WeakPolarHBondContact O-CG 3.25Å; T140-E144 PolarHBondContact O-N 3.04Å |
| 141 | R | 90.8 | Very high | 88.7 | Confident | 176 Ų | 176 | 103.1 Ų | 103.1 | 66% | 0.664 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.3 | -41.9 | 177.4 | -73 | -179.4 | -178.6 | -171.9 | 4.4 | 112.8 | E137 I138 S143 K145 | E137-R141 WeakPolarHBondContact O-CG 3.46Å; E137-R141 PolarHBondContact O-N 2.86Å; I138-R141 PolarHBondContact O-N 3.06Å; R141-S143 VanDerWaalsContact C-N 3.34Å; R141-K145 WeakPolarHBondContact O-CB 3.47Å; R141-K145 PolarHBondContact O-N 2.94Å |
| 142 | F | 90.6 | Very high | 87 | Confident | 145 Ų | 145 | 105.8 Ų | 105.8 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 175.7 | -87.2 | -69.5 | 0 | 0 | 0 | 111.9 | I138 S139 T140 K146 | I138-F142 HydrophobicContact CG2-CD2 3.53Å; I138-F142 HydrophobicContact CG2-CE2 3.48Å; I138-F142 VanDerWaalsContact CG2-CE2 3.48Å; I138-F142 VanDerWaalsContact O-CD2 3.24Å; I138-F142 WeakPolarHBondContact O-CD2 3.38Å; I138-F142 PolarHBondContact O-N 2.97Å; S139-F142 PolarHBondContact O-N 2.95Å; T140-F142 VanDerWaalsContact C-N 3.33Å; T140-F142 PolarHBondContact O-N 3Å; F142-K146 VanDerWaalsContact O-CB 3.28Å; F142-K146 WeakPolarHBondContact O-CB 3.24Å; F142-K146 PolarHBondContact O-N 3.35Å |
| 143 | S | 88.5 | Confident | 85 | Confident | 62 Ų | 62 | 107.5 Ų | 107.5 | 43% | 0.434 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 178.3 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | S139 T140 R141 K146 K147 | S139-S143 WeakPolarHBondContact O-CB 3.41Å; S139-S143 PolarHBondContact O-N 2.93Å; S139-S143 PolarHBondContact O-OG 2.92Å; T140-S143 WeakPolarHBondContact O-CB 3.41Å; T140-S143 PolarHBondContact O-N 3.47Å; R141-S143 VanDerWaalsContact C-N 3.34Å; S143-K146 PolarHBondContact O-N 3.49Å; S143-K147 WeakPolarHBondContact O-CG 3.28Å; S143-K147 PolarHBondContact O-N 3.01Å |
| 144 | E | 89.2 | Confident | 82.6 | Confident | 106 Ų | 106 | 112 Ų | 112 | 50% | 0.495 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.3 | -53.6 | 173.5 | -71.6 | 170.7 | 170.3 | 0 | 0 | 111.1 | T140 K146 K147 D148 | T140-E144 WeakPolarHBondContact O-CG 3.25Å; T140-E144 PolarHBondContact O-N 3.04Å; E144-K146 PolarHBondContact O-N 3.18Å; E144-K147 WeakPolarHBondContact O-CA 3.49Å; E144-K147 WeakPolarHBondContact O-CB 3.44Å; E144-K147 PolarHBondContact O-N 2.92Å; E144-D148 PolarHBondContact O-N 2.93Å |
| 145 | K | 86.3 | Confident | 82 | Confident | 140 Ų | 140 | 115.5 Ų | 115.5 | 61% | 0.609 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -58.7 | -35.1 | 178.5 | -166 | 171.8 | -174.1 | 177 | 0 | 112.5 | R141 D148 L149 | R141-K145 WeakPolarHBondContact O-CB 3.47Å; R141-K145 PolarHBondContact O-N 2.94Å; K145-D148 PolarHBondContact O-N 3.41Å; K145-L149 HydrophobicContact CG-CD1 4.46Å; K145-L149 WeakPolarHBondContact O-CB 3.49Å; K145-L149 WeakPolarHBondContact O-CD1 3.18Å; K145-L149 WeakPolarHBondContact O-CG 3.41Å; K145-L149 PolarHBondContact O-N 3.03Å |
| 146 | K | 83.8 | Confident | 81.3 | Confident | 152 Ų | 152 | 117.6 Ų | 117.6 | 66% | 0.661 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.6 | -40.1 | 173.7 | -171.8 | 179.7 | -179.5 | -180 | 0 | 111.8 | F142 S143 E144 V150 | F142-K146 VanDerWaalsContact O-CB 3.28Å; F142-K146 WeakPolarHBondContact O-CB 3.24Å; F142-K146 PolarHBondContact O-N 3.35Å; S143-K146 PolarHBondContact O-N 3.49Å; E144-K146 PolarHBondContact O-N 3.18Å; K146-V150 VanDerWaalsContact O-CG2 3.29Å; K146-V150 WeakPolarHBondContact O-CG2 3.42Å; K146-V150 PolarHBondContact O-N 2.98Å |
| 147 | K | 84.6 | Confident | 80.6 | Confident | 147 Ų | 147 | 122.2 Ų | 122.2 | 64% | 0.639 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.4 | -44.3 | 174.2 | -72.8 | 176.6 | -179 | 176.7 | 0 | 111.5 | S143 E144 L149 V150 Q151 | S143-K147 WeakPolarHBondContact O-CG 3.28Å; S143-K147 PolarHBondContact O-N 3.01Å; E144-K147 WeakPolarHBondContact O-CA 3.49Å; E144-K147 WeakPolarHBondContact O-CB 3.44Å; E144-K147 PolarHBondContact O-N 2.92Å; K147-L149 VanDerWaalsContact C-N 3.33Å; K147-L149 PolarHBondContact O-N 2.92Å; K147-V150 WeakPolarHBondContact O-CB 3.41Å; K147-V150 PolarHBondContact O-N 3.31Å; K147-V150 VanDerWaalsContact O-N 3.12Å; K147-Q151 PolarHBondContact O-N 3.19Å |
| 148 | D | 83.3 | Confident | 79.7 | Confident | 79 Ų | 79 | 122.5 Ų | 122.5 | 42% | 0.422 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.1 | -44.7 | 177.3 | -63.3 | -17 | 0 | 0 | 0 | 110.8 | E144 K145 V150 Q151 F152 | E144-D148 PolarHBondContact O-N 2.93Å; K145-D148 PolarHBondContact O-N 3.41Å; D148-V150 VanDerWaalsContact C-N 3.28Å; D148-V150 PolarHBondContact O-N 3.12Å; D148-Q151 CarbonylContact O-C 3.59Å; D148-Q151 WeakPolarHBondContact O-CA 3.37Å; D148-Q151 WeakPolarHBondContact O-CB 3.29Å; D148-Q151 PolarHBondContact O-N 3.5Å; D148-F152 WeakPolarHBondContact O-CD2 3.49Å; D148-F152 PolarHBondContact O-N 3.44Å |
| 149 | L | 75.7 | Confident | 78.8 | Confident | 111 Ų | 111 | 124.4 Ų | 124.4 | 58% | 0.581 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -56.1 | -40.6 | 174.4 | -84.6 | 158.5 | 0 | 0 | 0 | 112.7 | K145 K147 Q151 F152 S153 | K145-L149 HydrophobicContact CG-CD1 4.46Å; K145-L149 WeakPolarHBondContact O-CB 3.49Å; K145-L149 WeakPolarHBondContact O-CD1 3.18Å; K145-L149 WeakPolarHBondContact O-CG 3.41Å; K145-L149 PolarHBondContact O-N 3.03Å; K147-L149 VanDerWaalsContact C-N 3.33Å; K147-L149 PolarHBondContact O-N 2.92Å; L149-Q151 VanDerWaalsContact C-N 3.35Å; L149-F152 PolarHBondContact O-N 2.97Å; L149-S153 PolarHBondContact O-N 3.48Å; L149-S153 PolarHBondContact O-OG 2.65Å |
| 150 | V | 74.5 | Confident | 77.9 | Confident | 91 Ų | 91 | 128.1 Ų | 128.1 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.6 | -32.4 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | K146 K147 D148 S153 | K146-V150 VanDerWaalsContact O-CG2 3.29Å; K146-V150 WeakPolarHBondContact O-CG2 3.42Å; K146-V150 PolarHBondContact O-N 2.98Å; K147-V150 WeakPolarHBondContact O-CB 3.41Å; K147-V150 PolarHBondContact O-N 3.31Å; K147-V150 VanDerWaalsContact O-N 3.12Å; D148-V150 VanDerWaalsContact C-N 3.28Å; D148-V150 PolarHBondContact O-N 3.12Å; V150-S153 WeakPolarHBondContact CA-OG 3.5Å; V150-S153 PolarHBondContact O-OG 3.29Å |
| 151 | Q | 68.4 | Low | 76.8 | Confident | 146 Ų | 146 | 131.7 Ų | 131.7 | 68% | 0.682 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.7 | -29.4 | 173.9 | -72.4 | -172.9 | -17.3 | 0 | 0 | 113.4 | K147 D148 L149 | K147-Q151 PolarHBondContact O-N 3.19Å; D148-Q151 CarbonylContact O-C 3.59Å; D148-Q151 WeakPolarHBondContact O-CA 3.37Å; D148-Q151 WeakPolarHBondContact O-CB 3.29Å; D148-Q151 PolarHBondContact O-N 3.5Å; L149-Q151 VanDerWaalsContact C-N 3.35Å |
| 152 | F | 60.2 | Low | 75.7 | Confident | 181 Ų | 181 | 128.3 Ų | 128.3 | 79% | 0.794 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -4.7 | 175.2 | -79.5 | -70.8 | 0 | 0 | 0 | 114.5 | D148 L149 | D148-F152 WeakPolarHBondContact O-CD2 3.49Å; D148-F152 PolarHBondContact O-N 3.44Å; L149-F152 PolarHBondContact O-N 2.97Å |
| 153 | S | 53.4 | Low | 74.5 | Confident | 97 Ų | 97 | 126.9 Ų | 126.9 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | 17.2 | 179.7 | 39.1 | 0 | 0 | 0 | 0 | 114.2 | L149 V150 | L149-S153 PolarHBondContact O-N 3.48Å; L149-S153 PolarHBondContact O-OG 2.65Å; V150-S153 WeakPolarHBondContact CA-OG 3.5Å; V150-S153 PolarHBondContact O-OG 3.29Å |
| 154 | L | 46.3 | Very low | 73.2 | Confident | 211 Ų | 211 | 132.8 Ų | 132.8 | 100% | 1.105 | 66% | 0.656 | S | S | * | * | trans | -110.5 | 0 | 161 | -85.8 | 159.4 | 0 | 0 | 0 | 109.2 |
Retrieved 154 of 154 residues in 137.2 ms
(Link to these results)