| 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 | 52.1 | Low | 66.4 | Low | 182 Ų | 182 | 114 Ų | 114 | 90% | 0.897 | 58% | 0.575 | S | S | * | * | 0 | -56 | 0 | -70.3 | -150.5 | -76.5 | 0 | 0 | 112.9 | E4 I5 | M1-E4 PolarHBondContact O-N 2.85Å; M1-I5 WeakPolarHBondContact O-CG1 3.47Å; M1-I5 PolarHBondContact O-N 3.12Å | |||
| 2 | A | 51.3 | Low | 66.9 | Low | 74 Ų | 74 | 112.4 Ų | 112.4 | 61% | 0.612 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.5 | -44.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E4 I5 D6 | A2-E4 VanDerWaalsContact C-N 3.29Å; A2-E4 PolarHBondContact O-N 3.45Å; A2-I5 PolarHBondContact O-N 2.77Å; A2-D6 PolarHBondContact O-N 3.34Å; A2-D6 VanDerWaalsContact O-N 3.09Å |
| 3 | T | 57.8 | Low | 67.5 | Low | 116 Ų | 116 | 112.6 Ų | 112.6 | 71% | 0.712 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.3 | -27.4 | 178.2 | 40.1 | 0 | 0 | 0 | 0 | 114.5 | F7 | T3-F7 WeakPolarHBondContact O-CB 3.31Å; T3-F7 PolarHBondContact O-N 3.2Å; T3-F7 VanDerWaalsContact O-N 3.13Å |
| 4 | E | 60 | Low | 68.1 | Low | 127 Ų | 127 | 115.4 Ų | 115.4 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -81.5 | -34.5 | -180 | -165.6 | 165.9 | -162.9 | 0 | 0 | 111.3 | M1 A2 L8 | M1-E4 PolarHBondContact O-N 2.85Å; A2-E4 VanDerWaalsContact C-N 3.29Å; A2-E4 PolarHBondContact O-N 3.45Å; E4-L8 WeakPolarHBondContact O-CB 3.34Å; E4-L8 VanDerWaalsContact O-CG 3.28Å; E4-L8 WeakPolarHBondContact O-CG 3.33Å; E4-L8 PolarHBondContact O-N 3.41Å |
| 5 | I | 71.1 | Confident | 68.3 | Low | 96 Ų | 96 | 114.8 Ų | 114.8 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.5 | -37.9 | 171.8 | -68 | 170.2 | 0 | 0 | 0 | 110.8 | M1 A2 R9 | M1-I5 WeakPolarHBondContact O-CG1 3.47Å; M1-I5 PolarHBondContact O-N 3.12Å; A2-I5 PolarHBondContact O-N 2.77Å; I5-R9 WeakPolarHBondContact O-CB 3.37Å; I5-R9 PolarHBondContact O-N 3.42Å |
| 6 | D | 68.4 | Low | 68.7 | Low | 92 Ų | 92 | 113.3 Ų | 113.3 | 49% | 0.492 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70 | -40 | 177 | -69.4 | -25.5 | 0 | 0 | 0 | 111.9 | A2 R9 E10 | A2-D6 PolarHBondContact O-N 3.34Å; A2-D6 VanDerWaalsContact O-N 3.09Å; D6-R9 PolarHBondContact O-N 3.47Å; D6-E10 PolarHBondContact O-N 3.32Å |
| 7 | F | 75.4 | Confident | 68.9 | Low | 128 Ų | 128 | 112.5 Ų | 112.5 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61 | -45.2 | 173.4 | 179.6 | -100.9 | 0 | 0 | 0 | 112.4 | T3 R9 E10 Q11 | T3-F7 WeakPolarHBondContact O-CB 3.31Å; T3-F7 PolarHBondContact O-N 3.2Å; T3-F7 VanDerWaalsContact O-N 3.13Å; F7-R9 VanDerWaalsContact C-N 3.3Å; F7-R9 PolarHBondContact O-N 2.84Å; F7-E10 PolarHBondContact O-N 3.48Å; F7-Q11 WeakPolarHBondContact O-CB 3.49Å; F7-Q11 PolarHBondContact O-N 3.33Å |
| 8 | L | 72.1 | Confident | 69.1 | Low | 88 Ų | 88 | 110.3 Ų | 110.3 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.3 | -30 | 177.4 | -71.6 | 170.8 | 0 | 0 | 0 | 112.9 | E4 N12 | E4-L8 WeakPolarHBondContact O-CB 3.34Å; E4-L8 VanDerWaalsContact O-CG 3.28Å; E4-L8 WeakPolarHBondContact O-CG 3.33Å; E4-L8 PolarHBondContact O-N 3.41Å; L8-N12 WeakPolarHBondContact O-CB 3.45Å; L8-N12 PolarHBondContact O-N 3.45Å; L8-N12 VanDerWaalsContact O-N 3.09Å; L8-N12 PolarHBondContact O-ND2 3.21Å; L8-N12 VanDerWaalsContact O-ND2 3.17Å |
| 9 | R | 73.4 | Confident | 69.1 | Low | 155 Ų | 155 | 111.1 Ų | 111.1 | 59% | 0.585 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72 | -41.7 | 175.4 | -164.9 | -175.9 | -60.3 | -137.5 | 1.5 | 111.3 | I5 D6 F7 N12 Q13 | I5-R9 WeakPolarHBondContact O-CB 3.37Å; I5-R9 PolarHBondContact O-N 3.42Å; D6-R9 PolarHBondContact O-N 3.47Å; F7-R9 VanDerWaalsContact C-N 3.3Å; F7-R9 PolarHBondContact O-N 2.84Å; R9-N12 PolarHBondContact O-N 2.81Å; R9-Q13 WeakPolarHBondContact O-CG 3.46Å; R9-Q13 PolarHBondContact O-N 2.89Å |
| 10 | E | 72.8 | Confident | 69.2 | Low | 96 Ų | 96 | 112.8 Ų | 112.8 | 45% | 0.449 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 176.2 | -159 | -178.2 | 159.2 | 0 | 0 | 111.5 | D6 F7 Q13 R14 | D6-E10 PolarHBondContact O-N 3.32Å; F7-E10 PolarHBondContact O-N 3.48Å; E10-Q13 PolarHBondContact O-N 3.41Å; E10-R14 WeakPolarHBondContact O-CG 3.29Å; E10-R14 PolarHBondContact O-N 2.93Å; E10-R14 VanDerWaalsContact O-N 3.08Å; E10-R14 IonicContact OE1-CZ 3.69Å; E10-R14 IonicContact OE1-NE 3.69Å; E10-R14 IonicContact OE1-NH2 3.69Å; E10-R14 PolarHBondContact OE1-NH2 2.9Å |
| 11 | Q | 75.4 | Confident | 69.2 | Low | 100 Ų | 100 | 115.1 Ų | 115.1 | 47% | 0.467 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 174.8 | -143.3 | -169.6 | 32.7 | 0 | 0 | 112 | F7 R14 L15 | F7-Q11 WeakPolarHBondContact O-CB 3.49Å; F7-Q11 PolarHBondContact O-N 3.33Å; Q11-R14 PolarHBondContact O-N 2.89Å; Q11-L15 PolarHBondContact O-N 2.9Å |
| 12 | N | 72.8 | Confident | 69.8 | Low | 95 Ų | 95 | 114.2 Ų | 114.2 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.4 | -34.7 | 174.4 | -99.5 | -67.9 | 0 | 0 | 0 | 113.3 | L8 R9 N16 | L8-N12 WeakPolarHBondContact O-CB 3.45Å; L8-N12 PolarHBondContact O-N 3.45Å; L8-N12 VanDerWaalsContact O-N 3.09Å; L8-N12 PolarHBondContact O-ND2 3.21Å; L8-N12 VanDerWaalsContact O-ND2 3.17Å; R9-N12 PolarHBondContact O-N 2.81Å; N12-N16 WeakPolarHBondContact O-CB 3.4Å; N12-N16 PolarHBondContact O-N 2.59Å; N12-N16 VanDerWaalsContact O-N 3.1Å; N12-N16 PolarHBondContact O-ND2 2.92Å |
| 13 | Q | 75 | Confident | 70.3 | Confident | 115 Ų | 115 | 115.2 Ų | 115.2 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67 | -44.1 | 175.6 | -77.9 | 178.3 | -10.1 | 0 | 0 | 111.3 | R9 E10 N16 E17 | R9-Q13 WeakPolarHBondContact O-CG 3.46Å; R9-Q13 PolarHBondContact O-N 2.89Å; E10-Q13 PolarHBondContact O-N 3.41Å; Q13-N16 PolarHBondContact O-N 2.68Å; Q13-E17 PolarHBondContact O-N 3.08Å |
| 14 | R | 75.4 | Confident | 70.3 | Confident | 152 Ų | 152 | 116.7 Ų | 116.7 | 57% | 0.574 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 176.4 | -69.1 | -178.5 | -170.2 | -167.9 | 5.8 | 112.5 | E10 Q11 N16 E17 D18 | E10-R14 WeakPolarHBondContact O-CG 3.29Å; E10-R14 PolarHBondContact O-N 2.93Å; E10-R14 VanDerWaalsContact O-N 3.08Å; E10-R14 IonicContact OE1-CZ 3.69Å; E10-R14 IonicContact OE1-NE 3.69Å; E10-R14 IonicContact OE1-NH2 3.69Å; E10-R14 PolarHBondContact OE1-NH2 2.9Å; Q11-R14 PolarHBondContact O-N 2.89Å; R14-N16 VanDerWaalsContact C-N 3.32Å; R14-N16 PolarHBondContact O-N 3.43Å; R14-E17 PolarHBondContact O-N 3.06Å; R14-D18 PolarHBondContact O-N 3.32Å |
| 15 | L | 71.8 | Confident | 70.1 | Confident | 106 Ų | 106 | 117.4 Ų | 117.4 | 56% | 0.555 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.1 | -38.8 | 175.7 | -82.9 | 161 | 0 | 0 | 0 | 112.5 | Q11 F19 | Q11-L15 PolarHBondContact O-N 2.9Å; L15-F19 WeakPolarHBondContact O-CB 3.44Å; L15-F19 PolarHBondContact O-N 2.99Å |
| 16 | N | 73.6 | Confident | 69.3 | Low | 90 Ų | 90 | 117.1 Ų | 117.1 | 48% | 0.481 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.2 | -30.9 | 176.5 | -86.2 | -42.4 | 0 | 0 | 0 | 113.5 | N12 Q13 R14 R20 | N12-N16 WeakPolarHBondContact O-CB 3.4Å; N12-N16 PolarHBondContact O-N 2.59Å; N12-N16 VanDerWaalsContact O-N 3.1Å; N12-N16 PolarHBondContact O-ND2 2.92Å; Q13-N16 PolarHBondContact O-N 2.68Å; R14-N16 VanDerWaalsContact C-N 3.32Å; R14-N16 PolarHBondContact O-N 3.43Å; N16-R20 PolarHBondContact O-N 3.41Å; N16-R20 VanDerWaalsContact O-N 3.08Å |
| 17 | E | 73.1 | Confident | 68.5 | Low | 100 Ų | 100 | 120 Ų | 120 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.5 | -37.4 | 174 | -90.4 | 157.9 | -178.9 | 0 | 0 | 112.6 | Q13 R14 R20 R21 | Q13-E17 PolarHBondContact O-N 3.08Å; R14-E17 PolarHBondContact O-N 3.06Å; E17-R20 PolarHBondContact O-N 3.35Å; E17-R21 PolarHBondContact O-N 3.15Å |
| 18 | D | 72.7 | Confident | 67.3 | Low | 73 Ų | 73 | 118.5 Ų | 118.5 | 39% | 0.39 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 173.6 | -70.3 | -14.8 | 0 | 0 | 0 | 111.5 | R14 R20 R21 Y22 | R14-D18 PolarHBondContact O-N 3.32Å; D18-R20 PolarHBondContact O-N 3.03Å; D18-R21 PolarHBondContact O-N 2.75Å; D18-R21 IonicContact OD1-CZ 2.9Å; D18-R21 IonicContact OD1-NE 3.37Å; D18-R21 IonicContact OD1-NH2 2.97Å; D18-R21 PolarHBondContact OD1-NH2 3.34Å; D18-Y22 PolarHBondContact O-N 3.25Å |
| 19 | F | 68 | Low | 66.2 | Low | 125 Ų | 125 | 122.1 Ų | 122.1 | 55% | 0.548 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.2 | -39.9 | 173 | -170.9 | -103.7 | 0 | 0 | 0 | 112.6 | L15 Y22 Q23 | L15-F19 WeakPolarHBondContact O-CB 3.44Å; L15-F19 PolarHBondContact O-N 2.99Å; F19-Y22 PolarHBondContact O-N 2.91Å; F19-Q23 HydrophobicContact CE1-CG 4.38Å; F19-Q23 VanDerWaalsContact CE1-NE2 3.27Å; F19-Q23 PolarHBondContact O-N 3.09Å |
| 20 | R | 71.1 | Confident | 64.8 | Low | 146 Ų | 146 | 123.5 Ų | 123.5 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.3 | -38 | 174.9 | -85.6 | -168.1 | -75.4 | -151 | 1.1 | 112.9 | N16 E17 D18 Q23 M24 | N16-R20 PolarHBondContact O-N 3.41Å; N16-R20 VanDerWaalsContact O-N 3.08Å; E17-R20 PolarHBondContact O-N 3.35Å; D18-R20 PolarHBondContact O-N 3.03Å; R20-Q23 PolarHBondContact O-N 3.48Å; R20-M24 PolarHBondContact O-N 2.79Å |
| 21 | R | 69.3 | Low | 63.3 | Low | 161 Ų | 161 | 123.8 Ų | 123.8 | 61% | 0.608 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.3 | -42.6 | 174.3 | -79.6 | -171.9 | -82.2 | -166.7 | -2.3 | 111.7 | E17 D18 Q23 M24 E25 | E17-R21 PolarHBondContact O-N 3.15Å; D18-R21 PolarHBondContact O-N 2.75Å; D18-R21 IonicContact OD1-CZ 2.9Å; D18-R21 IonicContact OD1-NE 3.37Å; D18-R21 IonicContact OD1-NH2 2.97Å; D18-R21 PolarHBondContact OD1-NH2 3.34Å; R21-Q23 VanDerWaalsContact C-N 3.34Å; R21-Q23 PolarHBondContact O-N 3.18Å; R21-M24 PolarHBondContact O-N 3.37Å; R21-E25 PolarHBondContact O-N 2.82Å |
| 22 | Y | 65.7 | Low | 61.8 | Low | 164 Ų | 164 | 123.7 Ų | 123.7 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.1 | -35.9 | 174.5 | -101.4 | -83.1 | 0 | 0 | 0 | 113.6 | D18 F19 N26 | D18-Y22 PolarHBondContact O-N 3.25Å; F19-Y22 PolarHBondContact O-N 2.91Å; Y22-N26 PolarHBondContact O-N 2.9Å; Y22-N26 PolarHBondContact O-ND2 3.02Å; Y22-N26 VanDerWaalsContact O-ND2 3.11Å |
| 23 | Q | 61.6 | Low | 60.5 | Low | 94 Ų | 94 | 124.9 Ų | 124.9 | 44% | 0.439 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.4 | -46.6 | 172.8 | -82.2 | -171 | -4.1 | 0 | 0 | 111.6 | F19 R20 R21 E25 N26 F27 | F19-Q23 HydrophobicContact CE1-CG 4.38Å; F19-Q23 VanDerWaalsContact CE1-NE2 3.27Å; F19-Q23 PolarHBondContact O-N 3.09Å; R20-Q23 PolarHBondContact O-N 3.48Å; R21-Q23 VanDerWaalsContact C-N 3.34Å; R21-Q23 PolarHBondContact O-N 3.18Å; Q23-E25 PolarHBondContact O-N 3.15Å; Q23-N26 PolarHBondContact O-N 3.37Å; Q23-F27 WeakPolarHBondContact O-CD2 3.38Å; Q23-F27 PolarHBondContact O-N 3.31Å |
| 24 | M | 57.3 | Low | 58.9 | Low | 148 Ų | 148 | 128.1 Ų | 128.1 | 73% | 0.729 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.9 | -38.8 | -177.3 | -74.6 | -165.4 | -172.6 | 0 | 0 | 113.6 | R20 R21 N26 | R20-M24 PolarHBondContact O-N 2.79Å; R21-M24 PolarHBondContact O-N 3.37Å; M24-N26 VanDerWaalsContact C-N 3.31Å; M24-N26 PolarHBondContact O-N 3.39Å |
| 25 | E | 56.6 | Low | 57 | Low | 141 Ų | 141 | 130.6 Ų | 130.6 | 66% | 0.659 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.9 | -31.7 | 178 | -92.1 | -178.1 | 159.8 | 0 | 0 | 113 | R21 Q23 | R21-E25 PolarHBondContact O-N 2.82Å; Q23-E25 PolarHBondContact O-N 3.15Å |
| 26 | N | 54.5 | Low | 55.3 | Low | 90 Ų | 90 | 129.8 Ų | 129.8 | 48% | 0.481 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -81 | -31.5 | -179.4 | -76.1 | -34.5 | 0 | 0 | 0 | 113.2 | Y22 Q23 M24 S28 K29 Y30 | Y22-N26 PolarHBondContact O-N 2.9Å; Y22-N26 PolarHBondContact O-ND2 3.02Å; Y22-N26 VanDerWaalsContact O-ND2 3.11Å; Q23-N26 PolarHBondContact O-N 3.37Å; M24-N26 VanDerWaalsContact C-N 3.31Å; M24-N26 PolarHBondContact O-N 3.39Å; N26-S28 VanDerWaalsContact C-N 3.31Å; N26-S28 PolarHBondContact O-N 3.38Å; N26-K29 PolarHBondContact O-N 2.94Å; N26-Y30 WeakPolarHBondContact O-CD2 3.47Å |
| 27 | F | 50.5 | Low | 53.7 | Low | 152 Ų | 152 | 131.9 Ų | 131.9 | 67% | 0.667 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.8 | -26.3 | 175.7 | -80.9 | -70.4 | 0 | 0 | 0 | 113.5 | Q23 K29 Y30 | Q23-F27 WeakPolarHBondContact O-CD2 3.38Å; Q23-F27 PolarHBondContact O-N 3.31Å; F27-K29 VanDerWaalsContact C-N 3.32Å; F27-K29 PolarHBondContact O-N 3.16Å; F27-Y30 PolarHBondContact O-N 2.88Å |
| 28 | S | 50.1 | Low | 51.9 | Low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -21 | 179.7 | -173.7 | 0 | 0 | 0 | 0 | 114 | N26 | N26-S28 VanDerWaalsContact C-N 3.31Å; N26-S28 PolarHBondContact O-N 3.38Å |
| 29 | K | 48.6 | Very low | 50.1 | Low | 163 Ų | 163 | 139.6 Ų | 139.6 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -13.6 | 179.3 | -75.2 | 179.9 | 179.8 | 172.6 | 0 | 113.9 | N26 F27 | N26-K29 PolarHBondContact O-N 2.94Å; F27-K29 VanDerWaalsContact C-N 3.32Å; F27-K29 PolarHBondContact O-N 3.16Å |
| 30 | Y | 45.2 | Very low | 48.3 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -90.6 | -12.6 | -175.3 | -92 | -92.7 | 0 | 0 | 0 | 114.9 | N26 F27 | N26-Y30 WeakPolarHBondContact O-CD2 3.47Å; F27-Y30 PolarHBondContact O-N 2.88Å |
| 31 | S | 41.4 | Very low | 46.5 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -80.5 | -18.2 | -173.7 | -172.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 32 | S | 44 | Very low | 44.9 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -90.6 | -12.9 | -173.1 | 43.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 33 | V | 45.5 | Very low | 43.3 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -101.3 | -10.1 | -173.6 | -176.6 | 0 | 0 | 0 | 0 | 113.5 | K35 | V33-K35 PolarHBondContact O-N 3.31Š|
| 34 | Q | 40 | Very low | 42 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 4.9 | -174.7 | -122.7 | 172.7 | 13.8 | 0 | 0 | 115.5 | ||
| 35 | K | 36.3 | Very low | 41.4 | Very low | 205 Ų | 205 | 136.5 Ų | 136.5 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 11.6 | -171.8 | -137.7 | 178.6 | -174.6 | 179 | 0 | 115.9 | V33 | V33-K35 PolarHBondContact O-N 3.31Š|
| 36 | A | 37.3 | Very low | 40.1 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -117.6 | 0.9 | -174 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 37 | V | 39.3 | Very low | 39 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -128.5 | 75.2 | -175.4 | -170.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 38 | C | 35.8 | Very low | 38.5 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | trans | -154.8 | 64.4 | 163.4 | -89.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 39 | Q | 34.6 | Very low | 38 | Very low | 204 Ų | 204 | 144.9 Ų | 144.9 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | trans | -163.2 | 120.2 | 161.6 | -109 | 172.2 | 29.8 | 0 | 0 | 109.2 | ||||
| 40 | G | 30 | Very low | 37.6 | Very low | 84 Ų | 84 | 142 Ų | 142 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 137.3 | 116.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 41 | E | 34 | Very low | 37.4 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | trans | -69.2 | 158.4 | 176.3 | -69.5 | 161.2 | 132 | 0 | 0 | 114 | ||||
| 42 | G | 35.1 | Very low | 37.5 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 108.9 | 108.4 | 139.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 43 | D | 31.3 | Very low | 37.8 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | 59.5 | 138.7 | 147.4 | -88.5 | -9.2 | 0 | 0 | 0 | 124.8 | ||||
| 44 | D | 34 | Very low | 38.3 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 61.8 | 118.4 | 150.9 | -72 | -20.8 | 0 | 0 | 0 | 122.5 | ||||
| 45 | T | 44.5 | Very low | 38.9 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | trans | 32.7 | 109 | 143 | -29.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 46 | F | 30.6 | Very low | 39.9 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -174.5 | 135.3 | 136.5 | -107.7 | -76.7 | 0 | 0 | 0 | 112.4 | ||||
| 47 | E | 31.4 | Very low | 41.1 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | 67.3 | 111.9 | 144.7 | -88.6 | 155.2 | -161.6 | 0 | 0 | 122.4 | L49 | E47-L49 PolarHBondContact O-N 3.48Š| ||
| 48 | N | 38.9 | Very low | 42.5 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | 13.7 | 101.6 | 133 | -71.9 | -28.5 | 0 | 0 | 0 | 115.9 | V50 | N48-V50 HydrophobicContact CB-CG2 4.26Å; N48-V50 PolarHBondContact O-N 3.34Å | ||
| 49 | L | 41.2 | Very low | 44.1 | Very low | 174 Ų | 174 | 131 Ų | 131 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | trans | -68.5 | 79.3 | 155 | -84.5 | 143.9 | 0 | 0 | 0 | 108.5 | E47 F51 | E47-L49 PolarHBondContact O-N 3.48Å; L49-F51 VanDerWaalsContact C-N 3.34Å; L49-F51 PolarHBondContact O-N 3.31Å | ||
| 50 | V | 39.1 | Very low | 46 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 62% | 0.618 | 69% | 0.685 | S | S | * | * | trans | -57.9 | 103.5 | 157.8 | 175.1 | 0 | 0 | 0 | 0 | 105.5 | N48 D52 | N48-V50 HydrophobicContact CB-CG2 4.26Å; N48-V50 PolarHBondContact O-N 3.34Å; V50-D52 PolarHBondContact O-N 3.06Å; V50-D52 VanDerWaalsContact O-N 3.11Å | ||
| 51 | F | 40.8 | Very low | 48.2 | Very low | 200 Ų | 200 | 125.2 Ų | 125.2 | 88% | 0.877 | 67% | 0.671 | S | S | * | * | trans | -52.7 | 119.6 | 159.1 | -105.8 | -94.3 | 0 | 0 | 0 | 106.5 | L49 Q53 | L49-F51 VanDerWaalsContact C-N 3.34Å; L49-F51 PolarHBondContact O-N 3.31Å; F51-Q53 PolarHBondContact O-N 3.24Å | ||
| 52 | D | 44.5 | Very low | 50.1 | Low | 107 Ų | 107 | 121.2 Ų | 121.2 | 57% | 0.572 | 65% | 0.652 | S | S | * | * | trans | -53.5 | 102 | -169.7 | -142.9 | -27.7 | 0 | 0 | 0 | 110.2 | V50 S54 F55 | V50-D52 PolarHBondContact O-N 3.06Å; V50-D52 VanDerWaalsContact O-N 3.11Å; D52-S54 VanDerWaalsContact CG-OG 3.27Å; D52-S54 PolarHBondContact O-N 3.27Å; D52-S54 PolarHBondContact OD1-OG 2.99Å; D52-F55 HydrophobicContact CB-CD2 4.14Å; D52-F55 HydrophobicContact CB-CE2 4.25Å; D52-F55 PolarHBondContact O-N 2.83Å | ||
| 53 | Q | 50.5 | Low | 52.1 | Low | 149 Ų | 149 | 125 Ų | 125 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 0.1 | -174.3 | -160.7 | 163.2 | 4.5 | 0 | 0 | 112.3 | F51 A57 | F51-Q53 PolarHBondContact O-N 3.24Å; Q53-A57 WeakPolarHBondContact O-CB 3.46Å; Q53-A57 PolarHBondContact O-N 3.5Å |
| 54 | S | 55.9 | Low | 54.4 | Low | 69 Ų | 69 | 122.1 Ų | 122.1 | 48% | 0.483 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.2 | -26.4 | 174.2 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | D52 | D52-S54 VanDerWaalsContact CG-OG 3.27Å; D52-S54 PolarHBondContact O-N 3.27Å; D52-S54 PolarHBondContact OD1-OG 2.99Å |
| 55 | F | 51.4 | Low | 56.8 | Low | 170 Ų | 170 | 122.2 Ų | 122.2 | 75% | 0.746 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -26.9 | -179 | -70.9 | -83.7 | 0 | 0 | 0 | 114.4 | D52 | D52-F55 HydrophobicContact CB-CD2 4.14Å; D52-F55 HydrophobicContact CB-CE2 4.25Å; D52-F55 PolarHBondContact O-N 2.83Å |
| 56 | L | 56.9 | Low | 58.4 | Low | 103 Ų | 103 | 121.7 Ų | 121.7 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.9 | -16.8 | 178.9 | -99.2 | 117.2 | 0 | 0 | 0 | 113.5 | L59 I60 | L56-L59 PolarHBondContact O-N 3.48Å; L56-I60 HydrophobicContact CB-CD1 3.9Å; L56-I60 HydrophobicContact CB-CG1 4.44Å; L56-I60 HydrophobicContact CD2-CD1 3.95Å; L56-I60 HydrophobicContact CD2-CG1 4.2Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.38Å; L56-I60 PolarHBondContact O-N 3.21Å |
| 57 | A | 64.4 | Low | 60.8 | Low | 47 Ų | 47 | 118.4 Ų | 118.4 | 39% | 0.388 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -57.4 | -46 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q53 L59 T61 | Q53-A57 WeakPolarHBondContact O-CB 3.46Å; Q53-A57 PolarHBondContact O-N 3.5Å; A57-L59 PolarHBondContact O-N 3.2Å; A57-T61 PolarHBondContact O-N 2.96Å; A57-T61 VanDerWaalsContact O-N 3.08Å; A57-T61 PolarHBondContact O-OG1 2.92Å |
| 58 | P | 68.4 | Low | 63.3 | Low | 85 Ų | 85 | 113.1 Ų | 113.1 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.4 | -40.2 | -179.9 | -21.6 | 34 | 0 | 0 | 0 | 112.8 | T61 E62 | P58-T61 VanDerWaalsContact C-OG1 3.31Å; P58-T61 WeakPolarHBondContact CA-OG1 3.28Å; P58-T61 PolarHBondContact O-N 2.85Å; P58-T61 PolarHBondContact O-OG1 2.78Å; P58-E62 PolarHBondContact O-N 2.86Å; P58-E62 VanDerWaalsContact O-N 3.08Å |
| 59 | L | 67.9 | Low | 65.4 | Low | 87 Ų | 87 | 110.7 Ų | 110.7 | 46% | 0.455 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.7 | -42.5 | -178 | -167.6 | 72.9 | 0 | 0 | 0 | 111.2 | L56 A57 E62 Y63 | L56-L59 PolarHBondContact O-N 3.48Å; A57-L59 PolarHBondContact O-N 3.2Å; L59-E62 PolarHBondContact O-N 2.87Å; L59-Y63 HydrophobicContact CD1-CD2 4.4Å; L59-Y63 HydrophobicContact CD1-CE2 3.9Å; L59-Y63 HydrophobicContact CD2-CE2 4.17Å; L59-Y63 HydrophobicContact CG-CD2 3.94Å; L59-Y63 HydrophobicContact CG-CE2 3.72Å; L59-Y63 WeakPolarHBondContact O-CD2 3.46Å; L59-Y63 PolarHBondContact O-N 3.31Å |
| 60 | I | 75.8 | Confident | 67.3 | Low | 75 Ų | 75 | 107.2 Ų | 107.2 | 39% | 0.385 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -45 | 175.6 | -67.2 | 170.2 | 0 | 0 | 0 | 110.3 | L56 E62 Y63 D64 | L56-I60 HydrophobicContact CB-CD1 3.9Å; L56-I60 HydrophobicContact CB-CG1 4.44Å; L56-I60 HydrophobicContact CD2-CD1 3.95Å; L56-I60 HydrophobicContact CD2-CG1 4.2Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.38Å; L56-I60 PolarHBondContact O-N 3.21Å; I60-E62 VanDerWaalsContact C-N 3.25Å; I60-E62 PolarHBondContact O-N 3.48Å; I60-Y63 PolarHBondContact O-N 3.47Å; I60-D64 WeakPolarHBondContact O-CB 3.35Å; I60-D64 VanDerWaalsContact O-CG 3.32Å; I60-D64 PolarHBondContact O-N 3.46Å |
| 61 | T | 75.9 | Confident | 69.3 | Low | 90 Ų | 90 | 106.7 Ų | 106.7 | 55% | 0.552 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.7 | -32.4 | 176 | 34.6 | 0 | 0 | 0 | 0 | 113.5 | A57 P58 K65 | A57-T61 PolarHBondContact O-N 2.96Å; A57-T61 VanDerWaalsContact O-N 3.08Å; A57-T61 PolarHBondContact O-OG1 2.92Å; P58-T61 VanDerWaalsContact C-OG1 3.31Å; P58-T61 WeakPolarHBondContact CA-OG1 3.28Å; P58-T61 PolarHBondContact O-N 2.85Å; P58-T61 PolarHBondContact O-OG1 2.78Å; T61-K65 VanDerWaalsContact O-CB 3.31Å; T61-K65 WeakPolarHBondContact O-CB 3.27Å; T61-K65 PolarHBondContact O-N 3.23Å |
| 62 | E | 72.8 | Confident | 71.4 | Confident | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.1 | -39.9 | 178.6 | -148 | 171.2 | -156.3 | 0 | 0 | 111.6 | P58 L59 I60 K65 H66 | P58-E62 PolarHBondContact O-N 2.86Å; P58-E62 VanDerWaalsContact O-N 3.08Å; L59-E62 PolarHBondContact O-N 2.87Å; I60-E62 VanDerWaalsContact C-N 3.25Å; I60-E62 PolarHBondContact O-N 3.48Å; E62-K65 PolarHBondContact O-N 3Å; E62-H66 PolarHBondContact O-N 3.06Å |
| 63 | Y | 77.1 | Confident | 73.4 | Confident | 152 Ų | 152 | 99.2 Ų | 99.2 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.5 | -41 | 172.2 | -82.1 | -68.3 | 0 | 0 | 0 | 112.7 | L59 I60 K65 H66 L67 | L59-Y63 HydrophobicContact CD1-CD2 4.4Å; L59-Y63 HydrophobicContact CD1-CE2 3.9Å; L59-Y63 HydrophobicContact CD2-CE2 4.17Å; L59-Y63 HydrophobicContact CG-CD2 3.94Å; L59-Y63 HydrophobicContact CG-CE2 3.72Å; L59-Y63 WeakPolarHBondContact O-CD2 3.46Å; L59-Y63 PolarHBondContact O-N 3.31Å; I60-Y63 PolarHBondContact O-N 3.47Å; Y63-K65 VanDerWaalsContact C-N 3.31Å; Y63-K65 PolarHBondContact O-N 3.43Å; Y63-H66 PolarHBondContact O-N 3.41Å; Y63-L67 WeakPolarHBondContact O-CB 3.1Å; Y63-L67 WeakPolarHBondContact O-CG 3.38Å; Y63-L67 PolarHBondContact O-N 2.92Å |
| 64 | D | 81.2 | Confident | 74.9 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 176.1 | -75.2 | -22.5 | 0 | 0 | 0 | 111.5 | I60 L67 G68 | I60-D64 WeakPolarHBondContact O-CB 3.35Å; I60-D64 VanDerWaalsContact O-CG 3.32Å; I60-D64 PolarHBondContact O-N 3.46Å; D64-L67 PolarHBondContact O-N 3.07Å; D64-G68 PolarHBondContact O-N 2.83Å |
| 65 | K | 82.9 | Confident | 76.2 | Confident | 137 Ų | 137 | 100.7 Ų | 100.7 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -45.8 | 173.6 | -171.3 | -174.3 | 174.8 | -166.9 | 0 | 111.5 | T61 E62 Y63 L67 G68 E69 | T61-K65 VanDerWaalsContact O-CB 3.31Å; T61-K65 WeakPolarHBondContact O-CB 3.27Å; T61-K65 PolarHBondContact O-N 3.23Å; E62-K65 PolarHBondContact O-N 3Å; Y63-K65 VanDerWaalsContact C-N 3.31Å; Y63-K65 PolarHBondContact O-N 3.43Å; K65-L67 PolarHBondContact O-N 3.46Å; K65-G68 PolarHBondContact O-N 3.41Å; K65-E69 WeakPolarHBondContact CE-OE1 3.37Å; K65-E69 PolarHBondContact O-N 3.26Å |
| 66 | H | 79.6 | Confident | 78 | Confident | 108 Ų | 108 | 99.2 Ų | 99.2 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.6 | -95.7 | -64.3 | 0 | 0 | 0 | 112.8 | E62 Y63 G68 E69 L70 | E62-H66 PolarHBondContact O-N 3.06Å; Y63-H66 PolarHBondContact O-N 3.41Å; H66-G68 VanDerWaalsContact C-N 3.34Å; H66-E69 PolarHBondContact O-N 3.48Å; H66-L70 WeakPolarHBondContact O-CB 3.36Å; H66-L70 PolarHBondContact O-N 2.89Å |
| 67 | L | 79.6 | Confident | 79.3 | Confident | 110 Ų | 110 | 100.9 Ų | 100.9 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.7 | -40.1 | 173.3 | -77.4 | 168.9 | 0 | 0 | 0 | 111.6 | Y63 D64 K65 N71 | Y63-L67 WeakPolarHBondContact O-CB 3.1Å; Y63-L67 WeakPolarHBondContact O-CG 3.38Å; Y63-L67 PolarHBondContact O-N 2.92Å; D64-L67 PolarHBondContact O-N 3.07Å; K65-L67 PolarHBondContact O-N 3.46Å; L67-N71 VanDerWaalsContact O-CB 3.23Å; L67-N71 WeakPolarHBondContact O-CB 3.43Å; L67-N71 PolarHBondContact O-N 3.47Å |
| 68 | G | 83.7 | Confident | 80.3 | Confident | 46 Ų | 46 | 105.4 Ų | 105.4 | 47% | 0.474 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D64 K65 H66 N71 G72 | D64-G68 PolarHBondContact O-N 2.83Å; K65-G68 PolarHBondContact O-N 3.41Å; H66-G68 VanDerWaalsContact C-N 3.34Å; G68-N71 PolarHBondContact O-N 2.9Å; G68-G72 PolarHBondContact O-N 2.89Å |
| 69 | E | 83.6 | Confident | 81.2 | Confident | 95 Ų | 95 | 107.9 Ų | 107.9 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66 | -45.9 | 178.1 | -72.6 | 173.9 | -173 | 0 | 0 | 112.2 | K65 H66 N71 G72 Q73 | K65-E69 WeakPolarHBondContact CE-OE1 3.37Å; K65-E69 PolarHBondContact O-N 3.26Å; H66-E69 PolarHBondContact O-N 3.48Å; E69-N71 VanDerWaalsContact C-N 3.33Å; E69-N71 PolarHBondContact O-N 2.86Å; E69-G72 PolarHBondContact O-N 3.42Å; E69-Q73 WeakPolarHBondContact O-CG 3.39Å; E69-Q73 PolarHBondContact O-N 2.96Å |
| 70 | L | 80.4 | Confident | 82.1 | Confident | 101 Ų | 101 | 107.6 Ų | 107.6 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 175.2 | -92.1 | 154.5 | 0 | 0 | 0 | 112 | H66 G72 Q73 L74 | H66-L70 WeakPolarHBondContact O-CB 3.36Å; H66-L70 PolarHBondContact O-N 2.89Å; L70-G72 VanDerWaalsContact C-N 3.33Å; L70-G72 PolarHBondContact O-N 3.34Å; L70-Q73 PolarHBondContact O-N 3.34Å; L70-L74 PolarHBondContact O-N 2.97Å |
| 71 | N | 82.4 | Confident | 82.5 | Confident | 91 Ų | 91 | 107.3 Ų | 107.3 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.1 | -33.3 | 178.1 | -159.2 | 25.4 | 0 | 0 | 0 | 111.9 | L67 G68 E69 L74 K75 | L67-N71 VanDerWaalsContact O-CB 3.23Å; L67-N71 WeakPolarHBondContact O-CB 3.43Å; L67-N71 PolarHBondContact O-N 3.47Å; G68-N71 PolarHBondContact O-N 2.9Å; E69-N71 VanDerWaalsContact C-N 3.33Å; E69-N71 PolarHBondContact O-N 2.86Å; N71-L74 PolarHBondContact O-N 3.39Å; N71-K75 PolarHBondContact O-N 2.94Å |
| 72 | G | 85.3 | Confident | 82.9 | Confident | 40 Ų | 40 | 104.8 Ų | 104.8 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | G68 E69 L70 K75 Y76 | G68-G72 PolarHBondContact O-N 2.89Å; E69-G72 PolarHBondContact O-N 3.42Å; L70-G72 VanDerWaalsContact C-N 3.33Å; L70-G72 PolarHBondContact O-N 3.34Å; G72-K75 PolarHBondContact O-N 3.43Å; G72-Y76 PolarHBondContact O-N 3.32Å |
| 73 | Q | 85.1 | Confident | 83.6 | Confident | 111 Ų | 111 | 103.8 Ų | 103.8 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 175.4 | -69.1 | 179.3 | 5 | 0 | 0 | 112 | E69 L70 K75 Y76 Y77 | E69-Q73 WeakPolarHBondContact O-CG 3.39Å; E69-Q73 PolarHBondContact O-N 2.96Å; L70-Q73 PolarHBondContact O-N 3.34Å; Q73-K75 PolarHBondContact O-N 2.99Å; Q73-Y76 WeakPolarHBondContact O-CB 3.48Å; Q73-Y76 PolarHBondContact O-N 3.46Å; Q73-Y77 HydrophobicContact CB-CE2 4.49Å; Q73-Y77 WeakPolarHBondContact O-CD2 3.25Å; Q73-Y77 PolarHBondContact O-N 2.73Å |
| 74 | L | 81.8 | Confident | 83.9 | Confident | 111 Ų | 111 | 101.4 Ų | 101.4 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.4 | -46.3 | 175.9 | -112.5 | 161.9 | 0 | 0 | 0 | 112 | L70 N71 Y76 Y77 Q78 | L70-L74 PolarHBondContact O-N 2.97Å; N71-L74 PolarHBondContact O-N 3.39Å; L74-Y76 VanDerWaalsContact C-N 3.32Å; L74-Y76 PolarHBondContact O-N 2.94Å; L74-Y77 PolarHBondContact O-N 3.37Å; L74-Q78 VanDerWaalsContact O-CB 3.32Å; L74-Q78 WeakPolarHBondContact O-CB 3.47Å; L74-Q78 PolarHBondContact O-N 3.49Å |
| 75 | K | 84.8 | Confident | 84.1 | Confident | 137 Ų | 137 | 103.8 Ų | 103.8 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -38.2 | 175.8 | -77.1 | -178.5 | 178.9 | 178.5 | 0 | 112.5 | N71 G72 Q73 Q78 K79 | N71-K75 PolarHBondContact O-N 2.94Å; G72-K75 PolarHBondContact O-N 3.43Å; Q73-K75 PolarHBondContact O-N 2.99Å; K75-Q78 PolarHBondContact O-N 2.92Å; K75-K79 PolarHBondContact O-N 2.83Å |
| 76 | Y | 88.7 | Confident | 84.3 | Confident | 139 Ų | 139 | 102.6 Ų | 102.6 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 176.2 | 175.2 | -97.6 | 0 | 0 | 0 | 111.7 | G72 Q73 L74 Q78 K79 Q80 | G72-Y76 PolarHBondContact O-N 3.32Å; Q73-Y76 WeakPolarHBondContact O-CB 3.48Å; Q73-Y76 PolarHBondContact O-N 3.46Å; L74-Y76 VanDerWaalsContact C-N 3.32Å; L74-Y76 PolarHBondContact O-N 2.94Å; Y76-Q78 VanDerWaalsContact C-N 3.34Å; Y76-Q78 PolarHBondContact O-N 3.23Å; Y76-K79 PolarHBondContact O-N 3.3Å; Y76-Q80 PolarHBondContact O-N 3.12Å; Y76-Q80 PolarHBondContact OH-NE2 2.97Å |
| 77 | Y | 83.9 | Confident | 84.5 | Confident | 139 Ų | 139 | 103.7 Ų | 103.7 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 177.4 | -72.3 | -58.5 | 0 | 0 | 0 | 112.5 | Q73 L74 K79 Q80 V81 | Q73-Y77 HydrophobicContact CB-CE2 4.49Å; Q73-Y77 WeakPolarHBondContact O-CD2 3.25Å; Q73-Y77 PolarHBondContact O-N 2.73Å; L74-Y77 PolarHBondContact O-N 3.37Å; Y77-K79 VanDerWaalsContact C-N 3.3Å; Y77-K79 PolarHBondContact O-N 3.47Å; Y77-Q80 PolarHBondContact O-N 3.3Å; Y77-V81 WeakPolarHBondContact O-CG2 3.43Å; Y77-V81 PolarHBondContact O-N 2.85Å |
| 78 | Q | 84.6 | Confident | 84.6 | Confident | 141 Ų | 141 | 103.6 Ų | 103.6 | 66% | 0.659 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.6 | -38.7 | 176.8 | -163.2 | 174.1 | 17.2 | 0 | 0 | 111.9 | L74 K75 Y76 G82 | L74-Q78 VanDerWaalsContact O-CB 3.32Å; L74-Q78 WeakPolarHBondContact O-CB 3.47Å; L74-Q78 PolarHBondContact O-N 3.49Å; K75-Q78 PolarHBondContact O-N 2.92Å; Y76-Q78 VanDerWaalsContact C-N 3.34Å; Y76-Q78 PolarHBondContact O-N 3.23Å; Q78-G82 PolarHBondContact O-N 3.35Å; Q78-G82 VanDerWaalsContact O-N 3.08Å |
| 79 | K | 88.6 | Confident | 84.8 | Confident | 138 Ų | 138 | 106.3 Ų | 106.3 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -44.8 | 173.2 | -172.4 | -179.9 | 176 | -172 | 0 | 111.7 | K75 Y76 Y77 V81 G82 E83 | K75-K79 PolarHBondContact O-N 2.83Å; Y76-K79 PolarHBondContact O-N 3.3Å; Y77-K79 VanDerWaalsContact C-N 3.3Å; Y77-K79 PolarHBondContact O-N 3.47Å; K79-V81 VanDerWaalsContact C-N 3.34Å; K79-V81 PolarHBondContact O-N 3.5Å; K79-G82 WeakPolarHBondContact O-CA 3.45Å; K79-G82 PolarHBondContact O-N 2.82Å; K79-G82 VanDerWaalsContact O-N 3.13Å; K79-E83 WeakPolarHBondContact CE-OE1 3.36Å; K79-E83 PolarHBondContact O-N 3.33Å |
| 80 | Q | 86.6 | Confident | 84.9 | Confident | 80 Ų | 80 | 106.3 Ų | 106.3 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 179.1 | -131 | -161 | 39.5 | 0 | 0 | 112.2 | Y76 Y77 G82 E83 M84 | Y76-Q80 PolarHBondContact O-N 3.12Å; Y76-Q80 PolarHBondContact OH-NE2 2.97Å; Y77-Q80 PolarHBondContact O-N 3.3Å; Q80-G82 VanDerWaalsContact C-N 3.33Å; Q80-G82 PolarHBondContact O-N 2.84Å; Q80-E83 PolarHBondContact O-N 2.99Å; Q80-M84 WeakPolarHBondContact O-CG 3.23Å; Q80-M84 PolarHBondContact O-N 3.25Å |
| 81 | V | 84.4 | Confident | 85.2 | Confident | 70 Ų | 70 | 105.7 Ų | 105.7 | 42% | 0.424 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 174.3 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | Y77 K79 M84 K85 | Y77-V81 WeakPolarHBondContact O-CG2 3.43Å; Y77-V81 PolarHBondContact O-N 2.85Å; K79-V81 VanDerWaalsContact C-N 3.34Å; K79-V81 PolarHBondContact O-N 3.5Å; V81-M84 HydrophobicContact CG2-CE 4.14Å; V81-K85 WeakPolarHBondContact O-CB 3.49Å; V81-K85 WeakPolarHBondContact O-CG 3.35Å; V81-K85 PolarHBondContact O-N 3.04Å |
| 82 | G | 84.8 | Confident | 85.4 | Confident | 37 Ų | 37 | 105.4 Ų | 105.4 | 38% | 0.381 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q78 K79 Q80 K85 L86 | Q78-G82 PolarHBondContact O-N 3.35Å; Q78-G82 VanDerWaalsContact O-N 3.08Å; K79-G82 WeakPolarHBondContact O-CA 3.45Å; K79-G82 PolarHBondContact O-N 2.82Å; K79-G82 VanDerWaalsContact O-N 3.13Å; Q80-G82 VanDerWaalsContact C-N 3.33Å; Q80-G82 PolarHBondContact O-N 2.84Å; G82-K85 PolarHBondContact O-N 3.41Å; G82-L86 PolarHBondContact O-N 3.49Å; G82-L86 VanDerWaalsContact O-N 3.12Å |
| 83 | E | 86.8 | Confident | 85.4 | Confident | 101 Ų | 101 | 108.8 Ų | 108.8 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 176.8 | -72.6 | 171.4 | -175.6 | 0 | 0 | 112 | K79 Q80 K85 L86 Q87 | K79-E83 WeakPolarHBondContact CE-OE1 3.36Å; K79-E83 PolarHBondContact O-N 3.33Å; Q80-E83 PolarHBondContact O-N 2.99Å; E83-K85 VanDerWaalsContact C-N 3.35Å; E83-K85 PolarHBondContact O-N 3.44Å; E83-L86 PolarHBondContact O-N 3.39Å; E83-Q87 WeakPolarHBondContact O-CG 3.14Å; E83-Q87 PolarHBondContact O-N 3.08Å |
| 84 | M | 82.6 | Confident | 85.6 | Confident | 102 Ų | 102 | 107.7 Ų | 107.7 | 50% | 0.502 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 174.7 | -73 | -167.4 | -54.7 | 0 | 0 | 112.6 | Q80 V81 L86 Q87 L88 | Q80-M84 WeakPolarHBondContact O-CG 3.23Å; Q80-M84 PolarHBondContact O-N 3.25Å; V81-M84 HydrophobicContact CG2-CE 4.14Å; M84-L86 VanDerWaalsContact C-N 3.32Å; M84-L86 PolarHBondContact O-N 3.44Å; M84-Q87 PolarHBondContact O-N 3.44Å; M84-L88 WeakPolarHBondContact O-CB 3.28Å; M84-L88 PolarHBondContact O-N 3Å |
| 85 | K | 85.7 | Confident | 85.6 | Confident | 146 Ų | 146 | 106.3 Ų | 106.3 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 174.1 | -84.1 | -175.1 | 175.1 | -173.4 | 0 | 111.7 | V81 G82 E83 Q87 L88 E89 | V81-K85 WeakPolarHBondContact O-CB 3.49Å; V81-K85 WeakPolarHBondContact O-CG 3.35Å; V81-K85 PolarHBondContact O-N 3.04Å; G82-K85 PolarHBondContact O-N 3.41Å; E83-K85 VanDerWaalsContact C-N 3.35Å; E83-K85 PolarHBondContact O-N 3.44Å; K85-Q87 VanDerWaalsContact C-N 3.34Å; K85-L88 PolarHBondContact O-N 2.88Å; K85-E89 PolarHBondContact O-N 3.38Å |
| 86 | L | 86.6 | Confident | 85.7 | Confident | 112 Ų | 112 | 105.6 Ų | 105.6 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -38.5 | 178.7 | -142.6 | 115.9 | 0 | 0 | 0 | 111.6 | G82 E83 M84 E89 N90 | G82-L86 PolarHBondContact O-N 3.49Å; G82-L86 VanDerWaalsContact O-N 3.12Å; E83-L86 PolarHBondContact O-N 3.39Å; M84-L86 VanDerWaalsContact C-N 3.32Å; M84-L86 PolarHBondContact O-N 3.44Å; L86-E89 PolarHBondContact O-N 3.49Å; L86-N90 VanDerWaalsContact O-CG 3.32Å; L86-N90 PolarHBondContact O-N 3.13Å; L86-N90 VanDerWaalsContact O-N 3.07Å; L86-N90 PolarHBondContact O-ND2 3.02Å |
| 87 | Q | 84.1 | Confident | 85.8 | Confident | 130 Ų | 130 | 103.9 Ų | 103.9 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -43.8 | 172.9 | -73 | 179.5 | -11.9 | 0 | 0 | 112.1 | E83 M84 K85 E89 N90 V91 | E83-Q87 WeakPolarHBondContact O-CG 3.14Å; E83-Q87 PolarHBondContact O-N 3.08Å; M84-Q87 PolarHBondContact O-N 3.44Å; K85-Q87 VanDerWaalsContact C-N 3.34Å; Q87-E89 VanDerWaalsContact C-N 3.34Å; Q87-E89 PolarHBondContact O-N 2.9Å; Q87-N90 PolarHBondContact O-N 3.22Å; Q87-V91 WeakPolarHBondContact O-CG2 3.44Å; Q87-V91 PolarHBondContact O-N 2.73Å |
| 88 | L | 83.3 | Confident | 85.9 | Confident | 109 Ų | 109 | 101.2 Ų | 101.2 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -42.3 | 177.3 | -172.3 | 70.1 | 0 | 0 | 0 | 111.5 | M84 K85 N90 V91 I92 | M84-L88 WeakPolarHBondContact O-CB 3.28Å; M84-L88 PolarHBondContact O-N 3Å; K85-L88 PolarHBondContact O-N 2.88Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.41Å; L88-V91 PolarHBondContact O-N 2.99Å; L88-I92 HydrophobicContact CG-CD1 4.15Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.46Å; L88-I92 PolarHBondContact O-N 3.32Å |
| 89 | E | 86.2 | Confident | 85.6 | Confident | 102 Ų | 102 | 100.4 Ų | 100.4 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | 178.3 | -162.2 | -179.6 | 154.8 | 0 | 0 | 112.2 | K85 L86 Q87 I92 K93 | K85-E89 PolarHBondContact O-N 3.38Å; L86-E89 PolarHBondContact O-N 3.49Å; Q87-E89 VanDerWaalsContact C-N 3.34Å; Q87-E89 PolarHBondContact O-N 2.9Å; E89-I92 PolarHBondContact O-N 2.93Å; E89-K93 WeakPolarHBondContact O-CG 3.39Å; E89-K93 PolarHBondContact O-N 3.43Å; E89-K93 IonicContact OE1-NZ 2.9Å; E89-K93 PolarHBondContact OE1-NZ 3.2Å |
| 90 | N | 87.1 | Confident | 85 | Confident | 95 Ų | 95 | 97.5 Ų | 97.5 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 172.8 | -72.2 | -17.8 | 0 | 0 | 0 | 112.1 | L86 Q87 L88 I92 K93 E94 | L86-N90 VanDerWaalsContact O-CG 3.32Å; L86-N90 PolarHBondContact O-N 3.13Å; L86-N90 VanDerWaalsContact O-N 3.07Å; L86-N90 PolarHBondContact O-ND2 3.02Å; Q87-N90 PolarHBondContact O-N 3.22Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.41Å; N90-I92 VanDerWaalsContact C-N 3.34Å; N90-K93 PolarHBondContact O-N 3.19Å; N90-E94 WeakPolarHBondContact O-CB 3.46Å; N90-E94 PolarHBondContact O-N 3.5Å |
| 91 | V | 86.3 | Confident | 84.9 | Confident | 89 Ų | 89 | 98.3 Ų | 98.3 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 176 | 172 | 0 | 0 | 0 | 0 | 110.8 | Q87 L88 E94 N95 | Q87-V91 WeakPolarHBondContact O-CG2 3.44Å; Q87-V91 PolarHBondContact O-N 2.73Å; L88-V91 PolarHBondContact O-N 2.99Å; V91-E94 PolarHBondContact O-N 2.96Å; V91-N95 WeakPolarHBondContact O-CB 3.45Å; V91-N95 PolarHBondContact O-N 3.48Å |
| 92 | I | 86.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 100.6 Ų | 100.6 | 43% | 0.431 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 177.1 | -69.5 | 165.8 | 0 | 0 | 0 | 110.7 | L88 E89 N90 E94 N95 E96 | L88-I92 HydrophobicContact CG-CD1 4.15Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.46Å; L88-I92 PolarHBondContact O-N 3.32Å; E89-I92 PolarHBondContact O-N 2.93Å; N90-I92 VanDerWaalsContact C-N 3.34Å; I92-E94 VanDerWaalsContact C-N 3.3Å; I92-E94 PolarHBondContact O-N 3.44Å; I92-N95 PolarHBondContact O-N 3.48Å; I92-N95 VanDerWaalsContact O-N 3.15Å; I92-E96 WeakPolarHBondContact O-CG 3.34Å; I92-E96 PolarHBondContact O-N 3.41Å |
| 93 | K | 86.3 | Confident | 84.3 | Confident | 112 Ų | 112 | 105.8 Ų | 105.8 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 178.7 | -73.6 | 173.6 | -176 | 158.8 | 0 | 112.5 | E89 N90 R97 | E89-K93 WeakPolarHBondContact O-CG 3.39Å; E89-K93 PolarHBondContact O-N 3.43Å; E89-K93 IonicContact OE1-NZ 2.9Å; E89-K93 PolarHBondContact OE1-NZ 3.2Å; N90-K93 PolarHBondContact O-N 3.19Å; K93-R97 PolarHBondContact O-N 3.05Å |
| 94 | E | 88.1 | Confident | 83.7 | Confident | 87 Ų | 87 | 105.3 Ų | 105.3 | 41% | 0.407 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.6 | -37.8 | 176.3 | -175.5 | 63.5 | -178.9 | 0 | 0 | 111.9 | N90 V91 I92 R97 L98 | N90-E94 WeakPolarHBondContact O-CB 3.46Å; N90-E94 PolarHBondContact O-N 3.5Å; V91-E94 PolarHBondContact O-N 2.96Å; I92-E94 VanDerWaalsContact C-N 3.3Å; I92-E94 PolarHBondContact O-N 3.44Å; E94-R97 WeakPolarHBondContact O-CB 3.25Å; E94-R97 PolarHBondContact O-N 2.97Å; E94-R97 IonicContact OE1-CZ 2.77Å; E94-R97 IonicContact OE1-NE 3.7Å; E94-R97 PolarHBondContact OE1-NE 3.07Å; E94-R97 IonicContact OE1-NH2 3.75Å; E94-R97 PolarHBondContact OE1-NH2 3.01Å; E94-R97 IonicContact OE2-CZ 3.45Å; E94-R97 IonicContact OE2-NE 3.43Å; E94-R97 PolarHBondContact OE2-NE 2.93Å; E94-R97 IonicContact OE2-NH2 2.68Å; E94-L98 HydrophobicContact CG-CD1 4.44Å; E94-L98 WeakPolarHBondContact O-CG 3.26Å; E94-L98 PolarHBondContact O-N 3.36Å |
| 95 | N | 82.5 | Confident | 83.4 | Confident | 82 Ų | 82 | 102.7 Ų | 102.7 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 176.4 | -138.7 | -13.2 | 0 | 0 | 0 | 111.5 | V91 I92 L98 H99 | V91-N95 WeakPolarHBondContact O-CB 3.45Å; V91-N95 PolarHBondContact O-N 3.48Å; I92-N95 PolarHBondContact O-N 3.48Å; I92-N95 VanDerWaalsContact O-N 3.15Å; N95-L98 PolarHBondContact O-N 3.38Å; N95-H99 WeakPolarHBondContact O-CB 3.36Å; N95-H99 PolarHBondContact O-CD2 2.85Å; N95-H99 PolarHBondContact O-N 3.22Å |
| 96 | E | 86.9 | Confident | 82.8 | Confident | 122 Ų | 122 | 99.4 Ų | 99.4 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.3 | -43.5 | 172.3 | -73 | 176.3 | 164.8 | 0 | 0 | 111.5 | I92 H99 S100 | I92-E96 WeakPolarHBondContact O-CG 3.34Å; I92-E96 PolarHBondContact O-N 3.41Å; E96-H99 PolarHBondContact O-N 3.46Å; E96-S100 PolarHBondContact O-N 3.38Å; E96-S100 PolarHBondContact O-OG 2.85Å |
| 97 | R | 89.8 | Confident | 81.8 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 175 | -171.3 | -173.1 | 72.3 | 77.5 | 5.8 | 112 | K93 E94 H99 S100 E101 | K93-R97 PolarHBondContact O-N 3.05Å; E94-R97 WeakPolarHBondContact O-CB 3.25Å; E94-R97 PolarHBondContact O-N 2.97Å; E94-R97 IonicContact OE1-CZ 2.77Å; E94-R97 IonicContact OE1-NE 3.7Å; E94-R97 PolarHBondContact OE1-NE 3.07Å; E94-R97 IonicContact OE1-NH2 3.75Å; E94-R97 PolarHBondContact OE1-NH2 3.01Å; E94-R97 IonicContact OE2-CZ 3.45Å; E94-R97 IonicContact OE2-NE 3.43Å; E94-R97 PolarHBondContact OE2-NE 2.93Å; E94-R97 IonicContact OE2-NH2 2.68Å; R97-H99 VanDerWaalsContact C-N 3.34Å; R97-H99 PolarHBondContact O-N 3.18Å; R97-S100 PolarHBondContact O-N 2.98Å; R97-E101 IonicContact CZ-OE1 3.72Å; R97-E101 IonicContact CZ-OE2 3.73Å; R97-E101 IonicContact NH1-OE1 2.9Å; R97-E101 PolarHBondContact NH1-OE1 3.27Å; R97-E101 IonicContact NH1-OE2 3.23Å; R97-E101 PolarHBondContact NH1-OE2 3.48Å; R97-E101 WeakPolarHBondContact O-CG 3.42Å; R97-E101 PolarHBondContact O-N 3Å |
| 98 | L | 86 | Confident | 80.8 | Confident | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 178 | -71.7 | 172 | 0 | 0 | 0 | 112.1 | E94 N95 E101 L102 | E94-L98 HydrophobicContact CG-CD1 4.44Å; E94-L98 WeakPolarHBondContact O-CG 3.26Å; E94-L98 PolarHBondContact O-N 3.36Å; N95-L98 PolarHBondContact O-N 3.38Å; L98-E101 PolarHBondContact O-N 2.98Å; L98-L102 WeakPolarHBondContact O-CB 3.2Å; L98-L102 PolarHBondContact O-N 2.95Å |
| 99 | H | 79.1 | Confident | 79.6 | Confident | 123 Ų | 123 | 103.9 Ų | 103.9 | 57% | 0.569 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -38 | 174.3 | -85.8 | -61 | 0 | 0 | 0 | 112.5 | N95 E96 R97 K103 | N95-H99 WeakPolarHBondContact O-CB 3.36Å; N95-H99 PolarHBondContact O-CD2 2.85Å; N95-H99 PolarHBondContact O-N 3.22Å; E96-H99 PolarHBondContact O-N 3.46Å; R97-H99 VanDerWaalsContact C-N 3.34Å; R97-H99 PolarHBondContact O-N 3.18Å; H99-K103 WeakPolarHBondContact O-CB 3.25Å; H99-K103 PolarHBondContact O-N 3.44Å; H99-K103 VanDerWaalsContact O-N 3.15Å |
| 100 | S | 76.9 | Confident | 78.1 | Confident | 78 Ų | 78 | 105.9 Ų | 105.9 | 55% | 0.545 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 171.9 | -65.2 | 0 | 0 | 0 | 0 | 112.3 | E96 R97 K103 D104 | E96-S100 PolarHBondContact O-N 3.38Å; E96-S100 PolarHBondContact O-OG 2.85Å; R97-S100 PolarHBondContact O-N 2.98Å; S100-K103 PolarHBondContact O-N 2.88Å; S100-D104 PolarHBondContact O-N 2.93Å; S100-D104 VanDerWaalsContact O-N 3.09Å |
| 101 | E | 82.8 | Confident | 76 | Confident | 97 Ų | 97 | 110.1 Ų | 110.1 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68 | -37.3 | 178.3 | -73.7 | 176.2 | 179.5 | 0 | 0 | 113 | R97 L98 K103 A105 | R97-E101 IonicContact CZ-OE1 3.72Å; R97-E101 IonicContact CZ-OE2 3.73Å; R97-E101 IonicContact NH1-OE1 2.9Å; R97-E101 PolarHBondContact NH1-OE1 3.27Å; R97-E101 IonicContact NH1-OE2 3.23Å; R97-E101 PolarHBondContact NH1-OE2 3.48Å; R97-E101 WeakPolarHBondContact O-CG 3.42Å; R97-E101 PolarHBondContact O-N 3Å; L98-E101 PolarHBondContact O-N 2.98Å; E101-K103 VanDerWaalsContact C-N 3.33Å; E101-A105 WeakPolarHBondContact O-CB 3.47Å; E101-A105 PolarHBondContact O-N 3.48Å; E101-A105 VanDerWaalsContact O-N 3.08Å |
| 102 | L | 79.1 | Confident | 73.7 | Confident | 117 Ų | 117 | 109.1 Ų | 109.1 | 61% | 0.613 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.8 | -37.2 | 174.6 | -157.6 | 84.2 | 0 | 0 | 0 | 111.4 | L98 A105 V106 | L98-L102 WeakPolarHBondContact O-CB 3.2Å; L98-L102 PolarHBondContact O-N 2.95Å; L102-A105 PolarHBondContact O-N 3.38Å; L102-V106 WeakPolarHBondContact O-CG2 3.36Å; L102-V106 PolarHBondContact O-N 3.43Å |
| 103 | K | 78.7 | Confident | 71.1 | Confident | 147 Ų | 147 | 115.1 Ų | 115.1 | 64% | 0.639 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.7 | -45.3 | 177.4 | -167.8 | 179.9 | 176.7 | -172.9 | 0 | 111.4 | H99 S100 E101 A105 V106 E107 | H99-K103 WeakPolarHBondContact O-CB 3.25Å; H99-K103 PolarHBondContact O-N 3.44Å; H99-K103 VanDerWaalsContact O-N 3.15Å; S100-K103 PolarHBondContact O-N 2.88Å; E101-K103 VanDerWaalsContact C-N 3.33Å; K103-A105 VanDerWaalsContact C-N 3.31Å; K103-A105 PolarHBondContact O-N 3.27Å; K103-V106 PolarHBondContact O-N 3.48Å; K103-E107 WeakPolarHBondContact O-CB 3.5Å; K103-E107 PolarHBondContact O-N 3.42Å |
| 104 | D | 74.7 | Confident | 69 | Low | 90 Ų | 90 | 115.2 Ų | 115.2 | 48% | 0.481 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.4 | -32.3 | 175 | -87.4 | 12.3 | 0 | 0 | 0 | 112.9 | S100 K108 | S100-D104 PolarHBondContact O-N 2.93Å; S100-D104 VanDerWaalsContact O-N 3.09Å; D104-K108 WeakPolarHBondContact O-CB 3.37Å; D104-K108 WeakPolarHBondContact O-CG 3.42Å; D104-K108 PolarHBondContact O-N 2.93Å |
| 105 | A | 75.3 | Confident | 66.5 | Low | 47 Ų | 47 | 119.7 Ų | 119.7 | 39% | 0.388 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.1 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E101 L102 K103 Q109 | E101-A105 WeakPolarHBondContact O-CB 3.47Å; E101-A105 PolarHBondContact O-N 3.48Å; E101-A105 VanDerWaalsContact O-N 3.08Å; L102-A105 PolarHBondContact O-N 3.38Å; K103-A105 VanDerWaalsContact C-N 3.31Å; K103-A105 PolarHBondContact O-N 3.27Å; A105-Q109 WeakPolarHBondContact O-CG 3.31Å; A105-Q109 PolarHBondContact O-N 3.05Å |
| 106 | V | 73.6 | Confident | 64 | Low | 78 Ų | 78 | 118.9 Ų | 118.9 | 47% | 0.473 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.2 | -38 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | L102 K103 K108 Q109 L110 | L102-V106 WeakPolarHBondContact O-CG2 3.36Å; L102-V106 PolarHBondContact O-N 3.43Å; K103-V106 PolarHBondContact O-N 3.48Å; V106-K108 VanDerWaalsContact C-N 3.3Å; V106-K108 PolarHBondContact O-N 2.86Å; V106-Q109 PolarHBondContact O-N 3.4Å; V106-L110 HydrophobicContact CG1-CD1 4.15Å; V106-L110 PolarHBondContact O-N 2.78Å |
| 107 | E | 64.3 | Low | 61.3 | Low | 126 Ų | 126 | 118.7 Ų | 118.7 | 59% | 0.589 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.3 | -31.9 | 177.2 | -154.6 | 159.4 | -153.5 | 0 | 0 | 111.7 | K103 | K103-E107 WeakPolarHBondContact O-CB 3.5Å; K103-E107 PolarHBondContact O-N 3.42Å |
| 108 | K | 64 | Low | 58.5 | Low | 160 Ų | 160 | 122 Ų | 122 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.7 | -16.1 | 173.6 | -73.9 | 174.4 | -177.8 | 167.7 | 0 | 115.3 | D104 V106 | D104-K108 WeakPolarHBondContact O-CB 3.37Å; D104-K108 WeakPolarHBondContact O-CG 3.42Å; D104-K108 PolarHBondContact O-N 2.93Å; V106-K108 VanDerWaalsContact C-N 3.3Å; V106-K108 PolarHBondContact O-N 2.86Å |
| 109 | Q | 58.4 | Low | 56 | Low | 158 Ų | 158 | 126.1 Ų | 126.1 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -91.1 | -14.3 | 177 | -75.6 | -175.1 | 1.6 | 0 | 0 | 113.6 | A105 V106 | A105-Q109 WeakPolarHBondContact O-CG 3.31Å; A105-Q109 PolarHBondContact O-N 3.05Å; V106-Q109 PolarHBondContact O-N 3.4Å |
| 110 | L | 54.8 | Low | 53.7 | Low | 145 Ų | 145 | 123.1 Ų | 123.1 | 76% | 0.759 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -5.8 | 179.6 | -89.6 | 151.1 | 0 | 0 | 0 | 114.6 | V106 | V106-L110 HydrophobicContact CG1-CD1 4.15Å; V106-L110 PolarHBondContact O-N 2.78Å |
| 111 | E | 41.8 | Very low | 51.6 | Low | 183 Ų | 183 | 126 Ų | 126 | 86% | 0.855 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 8.9 | 178.3 | -73.9 | -170.3 | 156.8 | 0 | 0 | 115.1 | ||
| 112 | A | 38.9 | Very low | 49 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 56% | 0.562 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -142.6 | 83.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 113 | F | 30.8 | Very low | 47 | Very low | 210 Ų | 210 | 128.2 Ų | 128.2 | 92% | 0.921 | 71% | 0.705 | S | S | * | * | 167 | 155 | 119.6 | -110.1 | -110.3 | 0 | 0 | 0 | 114.1 | |||||
| 114 | P | 41.9 | Very low | 44.8 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 72% | 0.718 | S | S | * | * | trans | -113 | -179.8 | -153.1 | 40.9 | -29.1 | 0 | 0 | 0 | 117.3 | ||||
| 115 | L | 36.5 | Very low | 43.1 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 95% | 0.953 | 73% | 0.726 | S | S | * | * | trans | -84.2 | 156.7 | -175.1 | -136.9 | 90.3 | 0 | 0 | 0 | 115.5 | ||||
| 116 | G | 29.2 | Very low | 41.9 | Very low | 64 Ų | 64 | 135.1 Ų | 135.1 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | trans | 116.9 | 150.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 117 | T | 31.7 | Very low | 41.1 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | cis | 178.1 | 142.9 | 11.3 | -85.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 118 | E | 30.8 | Very low | 40.8 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | 54 | 159.9 | 146.2 | -71.6 | 169.9 | 154.2 | 0 | 0 | 127.1 | ||||
| 119 | I | 32.8 | Very low | 40.7 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | trans | 113.4 | 130.5 | 149 | -54.6 | 160.7 | 0 | 0 | 0 | 111.7 | ||||
| 120 | G | 31.3 | Very low | 41.1 | Very low | 60 Ų | 60 | 131.7 Ų | 131.7 | 62% | 0.619 | 73% | 0.731 | S | S | * | * | cis | 160.9 | 144.3 | 3.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 121 | T | 31.7 | Very low | 41.9 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 86% | 0.859 | 72% | 0.719 | S | S | * | * | trans | 58.1 | 123.9 | 146.4 | 50.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 122 | D | 29.7 | Very low | 43.4 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | 85 | 148 | 128.5 | -119.9 | -17.3 | 0 | 0 | 0 | 124.4 | |||||
| 123 | T | 36 | Very low | 45 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | trans | -76.4 | 137.1 | -153.7 | 36.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 124 | Y | 32.3 | Very low | 47.2 | Very low | 228 Ų | 228 | 123.8 Ų | 123.8 | 89% | 0.894 | 68% | 0.681 | S | S | * | * | 168.4 | 140 | 112.8 | -106.1 | -89.8 | 0 | 0 | 0 | 112.5 | |||||
| 125 | A | 39.7 | Very low | 49 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | trans | 99.6 | 47.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | D127 | A125-D127 VanDerWaalsContact C-N 3.29Å; A125-D127 PolarHBondContact O-N 2.84Å | ||
| 126 | D | 50.7 | Low | 50.9 | Low | 119 Ų | 119 | 119.9 Ų | 119.9 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 25.3 | -34.8 | 134.1 | -117.2 | -2.3 | 0 | 0 | 0 | 124.2 | V130 | D126-V130 WeakPolarHBondContact O-CG2 3.25Å; D126-V130 PolarHBondContact O-N 3.08Å |
| 127 | D | 56.8 | Low | 53.4 | Low | 147 Ų | 147 | 122 Ų | 122 | 79% | 0.786 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.1 | -26.1 | -174.3 | -92.6 | -18.2 | 0 | 0 | 0 | 113 | A125 | A125-D127 VanDerWaalsContact C-N 3.29Å; A125-D127 PolarHBondContact O-N 2.84Å |
| 128 | E | 58.3 | Low | 55.9 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -80.7 | -27.3 | 178.4 | -157.3 | 139.1 | -142.3 | 0 | 0 | 112 | R131 N132 | E128-R131 IonicContact OE1-NH2 3.81Å; E128-R131 PolarHBondContact OE1-NH2 3.44Å; E128-N132 WeakPolarHBondContact O-CB 3.5Å; E128-N132 PolarHBondContact O-N 3Å; E128-N132 VanDerWaalsContact O-N 3.12Å |
| 129 | I | 61.7 | Low | 58.4 | Low | 99 Ų | 99 | 118.4 Ų | 118.4 | 51% | 0.508 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.6 | -40.3 | 176.7 | -59.1 | 174.4 | 0 | 0 | 0 | 110.5 | N132 L133 | I129-N132 PolarHBondContact O-N 3.28Å; I129-L133 HydrophobicContact CG2-CD1 3.82Å; I129-L133 HydrophobicContact CG2-CG 4.23Å; I129-L133 WeakPolarHBondContact O-CB 3.28Å; I129-L133 VanDerWaalsContact O-CG 3.31Å; I129-L133 WeakPolarHBondContact O-CG 3.47Å; I129-L133 PolarHBondContact O-N 3.22Å |
| 130 | V | 66.3 | Low | 60.8 | Low | 73 Ų | 73 | 112.6 Ų | 112.6 | 44% | 0.442 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.4 | -41 | 178.6 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | D126 L133 Q134 | D126-V130 WeakPolarHBondContact O-CG2 3.25Å; D126-V130 PolarHBondContact O-N 3.08Å; V130-L133 PolarHBondContact O-N 3.29Å; V130-Q134 WeakPolarHBondContact O-CB 3.48Å; V130-Q134 PolarHBondContact O-N 3.45Å |
| 131 | R | 70.9 | Confident | 63.3 | Low | 133 Ų | 133 | 114 Ų | 114 | 50% | 0.502 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.8 | -42.4 | 174.7 | -177.5 | 175.5 | 51.6 | 150.7 | -1.3 | 111.9 | E128 Q134 E135 | E128-R131 IonicContact OE1-NH2 3.81Å; E128-R131 PolarHBondContact OE1-NH2 3.44Å; R131-Q134 PolarHBondContact O-N 2.85Å; R131-E135 WeakPolarHBondContact O-CG 3.43Å; R131-E135 PolarHBondContact O-N 2.88Å |
| 132 | N | 74 | Confident | 66 | Low | 85 Ų | 85 | 112 Ų | 112 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.8 | -39.5 | 177.3 | -159.1 | -26.1 | 0 | 0 | 0 | 111.8 | E128 I129 E135 Q136 | E128-N132 WeakPolarHBondContact O-CB 3.5Å; E128-N132 PolarHBondContact O-N 3Å; E128-N132 VanDerWaalsContact O-N 3.12Å; I129-N132 PolarHBondContact O-N 3.28Å; N132-E135 PolarHBondContact O-N 2.92Å; N132-Q136 WeakPolarHBondContact O-CB 3.33Å; N132-Q136 VanDerWaalsContact O-CG 3.29Å; N132-Q136 WeakPolarHBondContact O-CG 3.44Å; N132-Q136 PolarHBondContact O-N 2.88Å; N132-Q136 PolarHBondContact OD1-NE2 3.43Å |
| 133 | L | 72.8 | Confident | 68.7 | Low | 95 Ų | 95 | 110.7 Ų | 110.7 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.3 | -36.7 | 173.6 | -75.8 | 171.6 | 0 | 0 | 0 | 112.4 | I129 V130 Q136 L137 | I129-L133 HydrophobicContact CG2-CD1 3.82Å; I129-L133 HydrophobicContact CG2-CG 4.23Å; I129-L133 WeakPolarHBondContact O-CB 3.28Å; I129-L133 VanDerWaalsContact O-CG 3.31Å; I129-L133 WeakPolarHBondContact O-CG 3.47Å; I129-L133 PolarHBondContact O-N 3.22Å; V130-L133 PolarHBondContact O-N 3.29Å; L133-Q136 PolarHBondContact O-N 3.29Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 3.02Å |
| 134 | Q | 77.3 | Confident | 71.1 | Confident | 128 Ų | 128 | 112 Ų | 112 | 60% | 0.598 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.6 | -43.4 | 173 | -88.1 | 178.7 | -32.7 | 0 | 0 | 111.8 | V130 R131 L137 Q138 | V130-Q134 WeakPolarHBondContact O-CB 3.48Å; V130-Q134 PolarHBondContact O-N 3.45Å; R131-Q134 PolarHBondContact O-N 2.85Å; Q134-L137 PolarHBondContact O-N 3.08Å; Q134-Q138 WeakPolarHBondContact O-CB 3.3Å; Q134-Q138 PolarHBondContact O-N 2.9Å |
| 135 | E | 78.3 | Confident | 73.8 | Confident | 105 Ų | 105 | 103.5 Ų | 103.5 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.1 | -75.5 | 173.3 | -176.5 | 0 | 0 | 111.5 | R131 N132 L137 Q138 L139 | R131-E135 WeakPolarHBondContact O-CG 3.43Å; R131-E135 PolarHBondContact O-N 2.88Å; N132-E135 PolarHBondContact O-N 2.92Å; E135-L137 PolarHBondContact O-N 3.41Å; E135-Q138 PolarHBondContact O-N 3.46Å; E135-L139 WeakPolarHBondContact O-CB 3.47Å; E135-L139 VanDerWaalsContact O-CG 3.28Å; E135-L139 WeakPolarHBondContact O-CG 3.47Å; E135-L139 PolarHBondContact O-N 3.18Å |
| 136 | Q | 77.1 | Confident | 76.2 | Confident | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 173.7 | -76.1 | -178.9 | 7.8 | 0 | 0 | 112.9 | N132 L133 Q138 A140 | N132-Q136 WeakPolarHBondContact O-CB 3.33Å; N132-Q136 VanDerWaalsContact O-CG 3.29Å; N132-Q136 WeakPolarHBondContact O-CG 3.44Å; N132-Q136 PolarHBondContact O-N 2.88Å; N132-Q136 PolarHBondContact OD1-NE2 3.43Å; L133-Q136 PolarHBondContact O-N 3.29Å; Q136-Q138 VanDerWaalsContact C-N 3.34Å; Q136-A140 WeakPolarHBondContact O-CB 3.35Å; Q136-A140 PolarHBondContact O-N 2.95Å |
| 137 | L | 81.9 | Confident | 77.9 | Confident | 108 Ų | 108 | 102 Ų | 102 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.9 | -34.4 | 174.8 | -123.5 | 161.7 | 0 | 0 | 0 | 111.5 | L133 Q134 E135 N141 | L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 PolarHBondContact O-N 3.02Å; Q134-L137 PolarHBondContact O-N 3.08Å; E135-L137 PolarHBondContact O-N 3.41Å; L137-N141 VanDerWaalsContact O-CB 3.28Å; L137-N141 WeakPolarHBondContact O-CB 3.32Å; L137-N141 VanDerWaalsContact O-CG 3.27Å; L137-N141 PolarHBondContact O-N 3.39Å; L137-N141 PolarHBondContact O-ND2 3.36Å |
| 138 | Q | 84.4 | Confident | 79.6 | Confident | 122 Ų | 122 | 98.5 Ų | 98.5 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.1 | -46.2 | 177.1 | -155.4 | 166.2 | 2.1 | 0 | 0 | 110.5 | Q134 E135 Q136 N141 E142 | Q134-Q138 WeakPolarHBondContact O-CB 3.3Å; Q134-Q138 PolarHBondContact O-N 2.9Å; E135-Q138 PolarHBondContact O-N 3.46Å; Q136-Q138 VanDerWaalsContact C-N 3.34Å; Q138-N141 PolarHBondContact O-N 2.88Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.32Å |
| 139 | L | 82.8 | Confident | 81.2 | Confident | 94 Ų | 94 | 98.3 Ų | 98.3 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 171.5 | -71.5 | 169.5 | 0 | 0 | 0 | 111.8 | E135 N141 E142 E143 | E135-L139 WeakPolarHBondContact O-CB 3.47Å; E135-L139 VanDerWaalsContact O-CG 3.28Å; E135-L139 WeakPolarHBondContact O-CG 3.47Å; E135-L139 PolarHBondContact O-N 3.18Å; L139-N141 VanDerWaalsContact C-N 3.29Å; L139-N141 PolarHBondContact O-N 2.98Å; L139-E142 CarbonylContact O-C 3.58Å; L139-E142 PolarHBondContact O-N 2.9Å; L139-E143 WeakPolarHBondContact O-CB 3.25Å; L139-E143 VanDerWaalsContact O-CG 3.27Å; L139-E143 WeakPolarHBondContact O-CG 3.16Å; L139-E143 PolarHBondContact O-N 3.28Å |
| 140 | A | 82.6 | Confident | 82.6 | Confident | 48 Ų | 48 | 99.1 Ų | 99.1 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -31.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q136 K144 | Q136-A140 WeakPolarHBondContact O-CB 3.35Å; Q136-A140 PolarHBondContact O-N 2.95Å; A140-K144 WeakPolarHBondContact O-CB 3.35Å; A140-K144 PolarHBondContact O-N 3.41Å |
| 141 | N | 84.3 | Confident | 83.8 | Confident | 88 Ų | 88 | 104.3 Ų | 104.3 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.1 | -37.1 | 172.8 | -82.7 | -43.5 | 0 | 0 | 0 | 112 | L137 Q138 L139 K144 A145 | L137-N141 VanDerWaalsContact O-CB 3.28Å; L137-N141 WeakPolarHBondContact O-CB 3.32Å; L137-N141 VanDerWaalsContact O-CG 3.27Å; L137-N141 PolarHBondContact O-N 3.39Å; L137-N141 PolarHBondContact O-ND2 3.36Å; Q138-N141 PolarHBondContact O-N 2.88Å; L139-N141 VanDerWaalsContact C-N 3.29Å; L139-N141 PolarHBondContact O-N 2.98Å; N141-K144 PolarHBondContact O-N 3Å; N141-A145 WeakPolarHBondContact O-CB 3.38Å; N141-A145 PolarHBondContact O-N 2.88Å |
| 142 | E | 88.4 | Confident | 84.8 | Confident | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 172.7 | -73.8 | 172.9 | -170.8 | 0 | 0 | 111.1 | Q138 L139 K144 A145 Q146 | Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 3.32Å; L139-E142 CarbonylContact O-C 3.58Å; L139-E142 PolarHBondContact O-N 2.9Å; E142-K144 PolarHBondContact O-N 3.41Å; E142-A145 WeakPolarHBondContact O-CB 3.31Å; E142-A145 PolarHBondContact O-N 3.3Å; E142-Q146 WeakPolarHBondContact O-CB 3.37Å; E142-Q146 VanDerWaalsContact O-CG 3.25Å; E142-Q146 WeakPolarHBondContact O-CG 3.34Å; E142-Q146 PolarHBondContact O-N 3.44Å |
| 143 | E | 85.7 | Confident | 85.7 | Confident | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 173.3 | -74.3 | 175.9 | 176.3 | 0 | 0 | 111.5 | L139 Q146 A147 | L139-E143 WeakPolarHBondContact O-CB 3.25Å; L139-E143 VanDerWaalsContact O-CG 3.27Å; L139-E143 WeakPolarHBondContact O-CG 3.16Å; L139-E143 PolarHBondContact O-N 3.28Å; E143-Q146 PolarHBondContact O-N 2.94Å; E143-A147 VanDerWaalsContact O-CB 3.23Å; E143-A147 WeakPolarHBondContact O-CB 3.48Å; E143-A147 PolarHBondContact O-N 2.98Å |
| 144 | K | 87.9 | Confident | 86.6 | Confident | 136 Ų | 136 | 102.4 Ų | 102.4 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 173 | 178.7 | -175.3 | 172.4 | -174.3 | 0 | 111.3 | A140 N141 E142 A147 V148 | A140-K144 WeakPolarHBondContact O-CB 3.35Å; A140-K144 PolarHBondContact O-N 3.41Å; N141-K144 PolarHBondContact O-N 3Å; E142-K144 PolarHBondContact O-N 3.41Å; K144-A147 PolarHBondContact O-N 3.01Å; K144-V148 WeakPolarHBondContact O-CB 3.23Å; K144-V148 VanDerWaalsContact O-CG2 3.25Å; K144-V148 WeakPolarHBondContact O-CG2 3.34Å; K144-V148 PolarHBondContact O-N 3.39Å |
| 145 | A | 88.1 | Confident | 87.2 | Confident | 49 Ų | 49 | 98.3 Ų | 98.3 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N141 E142 A147 V148 E149 | N141-A145 WeakPolarHBondContact O-CB 3.38Å; N141-A145 PolarHBondContact O-N 2.88Å; E142-A145 WeakPolarHBondContact O-CB 3.31Å; E142-A145 PolarHBondContact O-N 3.3Å; A145-A147 PolarHBondContact O-N 3.36Å; A145-V148 PolarHBondContact O-N 3.25Å; A145-E149 WeakPolarHBondContact O-CG 3.35Å; A145-E149 PolarHBondContact O-N 3.44Å |
| 146 | Q | 89.4 | Confident | 87.9 | Confident | 114 Ų | 114 | 97.9 Ų | 97.9 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 174.9 | -71.5 | 172.3 | 19.7 | 0 | 0 | 112 | E142 E143 V148 E149 L150 | E142-Q146 WeakPolarHBondContact O-CB 3.37Å; E142-Q146 VanDerWaalsContact O-CG 3.25Å; E142-Q146 WeakPolarHBondContact O-CG 3.34Å; E142-Q146 PolarHBondContact O-N 3.44Å; E143-Q146 PolarHBondContact O-N 2.94Å; Q146-V148 VanDerWaalsContact C-N 3.34Å; Q146-V148 PolarHBondContact O-N 3.47Å; Q146-E149 PolarHBondContact O-N 3.34Å; Q146-L150 WeakPolarHBondContact O-CB 3.41Å; Q146-L150 VanDerWaalsContact O-CG 3.25Å; Q146-L150 WeakPolarHBondContact O-CG 3.36Å; Q146-L150 PolarHBondContact O-N 2.85Å |
| 147 | A | 88.1 | Confident | 88.6 | Confident | 54 Ų | 54 | 96.6 Ų | 96.6 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | E143 K144 A145 W151 | E143-A147 VanDerWaalsContact O-CB 3.23Å; E143-A147 WeakPolarHBondContact O-CB 3.48Å; E143-A147 PolarHBondContact O-N 2.98Å; K144-A147 PolarHBondContact O-N 3.01Å; A145-A147 PolarHBondContact O-N 3.36Å; A147-W151 VanDerWaalsContact O-CB 3.26Å; A147-W151 WeakPolarHBondContact O-CB 3.4Å; A147-W151 PolarHBondContact O-N 3.4Å |
| 148 | V | 91.4 | Very high | 89.1 | Confident | 75 Ų | 75 | 97 Ų | 97 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | K144 A145 Q146 W151 Q152 | K144-V148 WeakPolarHBondContact O-CB 3.23Å; K144-V148 VanDerWaalsContact O-CG2 3.25Å; K144-V148 WeakPolarHBondContact O-CG2 3.34Å; K144-V148 PolarHBondContact O-N 3.39Å; A145-V148 PolarHBondContact O-N 3.25Å; Q146-V148 VanDerWaalsContact C-N 3.34Å; Q146-V148 PolarHBondContact O-N 3.47Å; V148-W151 PolarHBondContact O-N 3.42Å; V148-Q152 VanDerWaalsContact O-CB 3.28Å; V148-Q152 WeakPolarHBondContact O-CB 3.49Å; V148-Q152 PolarHBondContact O-N 3.14Å |
| 149 | E | 91.3 | Very high | 89.6 | Confident | 126 Ų | 126 | 95.4 Ų | 95.4 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 175.2 | -75.5 | -177.9 | 174.6 | 0 | 0 | 112 | A145 Q146 Q152 T153 | A145-E149 WeakPolarHBondContact O-CG 3.35Å; A145-E149 PolarHBondContact O-N 3.44Å; Q146-E149 PolarHBondContact O-N 3.34Å; E149-Q152 PolarHBondContact O-N 2.93Å; E149-T153 WeakPolarHBondContact O-CB 3.37Å; E149-T153 PolarHBondContact O-N 3.13Å; E149-T153 PolarHBondContact O-OG1 2.72Å |
| 150 | L | 92.4 | Very high | 90.2 | Very high | 117 Ų | 117 | 97.6 Ų | 97.6 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -44.6 | 174.2 | -74 | 171.7 | 0 | 0 | 0 | 111 | Q146 Q152 T153 V154 | Q146-L150 WeakPolarHBondContact O-CB 3.41Å; Q146-L150 VanDerWaalsContact O-CG 3.25Å; Q146-L150 WeakPolarHBondContact O-CG 3.36Å; Q146-L150 PolarHBondContact O-N 2.85Å; L150-Q152 PolarHBondContact O-N 2.82Å; L150-T153 PolarHBondContact O-N 2.95Å; L150-V154 WeakPolarHBondContact O-CB 3.47Å; L150-V154 VanDerWaalsContact O-CG2 3.25Å; L150-V154 WeakPolarHBondContact O-CG2 3.45Å; L150-V154 PolarHBondContact O-N 3.04Å |
| 151 | W | 91.6 | Very high | 90.7 | Very high | 181 Ų | 181 | 100.8 Ų | 100.8 | 69% | 0.686 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 176.7 | -176.7 | 81.1 | 0 | 0 | 0 | 112.1 | A147 V148 T153 V154 S155 | A147-W151 VanDerWaalsContact O-CB 3.26Å; A147-W151 WeakPolarHBondContact O-CB 3.4Å; A147-W151 PolarHBondContact O-N 3.4Å; V148-W151 PolarHBondContact O-N 3.42Å; W151-T153 VanDerWaalsContact C-N 3.32Å; W151-T153 PolarHBondContact O-N 3.26Å; W151-V154 PolarHBondContact O-N 3.44Å; W151-S155 WeakPolarHBondContact O-CB 3.31Å; W151-S155 PolarHBondContact O-N 3.19Å |
| 152 | Q | 91.3 | Very high | 91.1 | Very high | 105 Ų | 105 | 101.7 Ų | 101.7 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 177.1 | -164 | 170.5 | 9.8 | 0 | 0 | 111.3 | V148 E149 L150 Q156 | V148-Q152 VanDerWaalsContact O-CB 3.28Å; V148-Q152 WeakPolarHBondContact O-CB 3.49Å; V148-Q152 PolarHBondContact O-N 3.14Å; E149-Q152 PolarHBondContact O-N 2.93Å; L150-Q152 PolarHBondContact O-N 2.82Å; Q152-Q156 VanDerWaalsContact O-CG 3.25Å; Q152-Q156 WeakPolarHBondContact O-CG 3.45Å; Q152-Q156 PolarHBondContact O-N 3.29Å |
| 153 | T | 92 | Very high | 91.3 | Very high | 74 Ų | 74 | 103.2 Ų | 103.2 | 45% | 0.454 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 174.1 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | E149 L150 W151 S155 Q156 E157 | E149-T153 WeakPolarHBondContact O-CB 3.37Å; E149-T153 PolarHBondContact O-N 3.13Å; E149-T153 PolarHBondContact O-OG1 2.72Å; L150-T153 PolarHBondContact O-N 2.95Å; W151-T153 VanDerWaalsContact C-N 3.32Å; W151-T153 PolarHBondContact O-N 3.26Å; T153-S155 VanDerWaalsContact C-N 3.32Å; T153-S155 PolarHBondContact O-N 3.09Å; T153-Q156 PolarHBondContact O-N 3.34Å; T153-E157 WeakPolarHBondContact O-CG 3.47Å; T153-E157 PolarHBondContact O-N 2.94Å |
| 154 | V | 92.8 | Very high | 91.7 | Very high | 94 Ų | 94 | 101.9 Ų | 101.9 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -39.6 | 177 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | L150 W151 E157 L158 | L150-V154 WeakPolarHBondContact O-CB 3.47Å; L150-V154 VanDerWaalsContact O-CG2 3.25Å; L150-V154 WeakPolarHBondContact O-CG2 3.45Å; L150-V154 PolarHBondContact O-N 3.04Å; W151-V154 PolarHBondContact O-N 3.44Å; V154-E157 PolarHBondContact O-N 3.35Å; V154-L158 WeakPolarHBondContact O-CB 3.48Å; V154-L158 PolarHBondContact O-N 3.03Å |
| 155 | S | 89.5 | Confident | 91.8 | Very high | 43 Ų | 43 | 102.5 Ų | 102.5 | 30% | 0.301 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 174.8 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | W151 T153 L158 D159 | W151-S155 WeakPolarHBondContact O-CB 3.31Å; W151-S155 PolarHBondContact O-N 3.19Å; T153-S155 VanDerWaalsContact C-N 3.32Å; T153-S155 PolarHBondContact O-N 3.09Å; S155-L158 PolarHBondContact O-N 3.17Å; S155-D159 PolarHBondContact O-N 3.08Å |
| 156 | Q | 93.8 | Very high | 92.1 | Very high | 96 Ų | 96 | 105.1 Ų | 105.1 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 176.5 | -73.1 | 172.4 | 17.4 | 0 | 0 | 112.1 | Q152 T153 D159 R160 | Q152-Q156 VanDerWaalsContact O-CG 3.25Å; Q152-Q156 WeakPolarHBondContact O-CG 3.45Å; Q152-Q156 PolarHBondContact O-N 3.29Å; T153-Q156 PolarHBondContact O-N 3.34Å; Q156-D159 PolarHBondContact O-N 3.09Å; Q156-R160 WeakPolarHBondContact O-CB 3.24Å; Q156-R160 VanDerWaalsContact O-CG 3.3Å; Q156-R160 WeakPolarHBondContact O-CG 3.26Å; Q156-R160 PolarHBondContact O-N 3.38Å |
| 157 | E | 92.2 | Very high | 92.2 | Very high | 81 Ų | 81 | 105 Ų | 105 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 175.5 | -71.3 | -55.4 | 136.9 | 0 | 0 | 112.1 | T153 V154 R160 L161 | T153-E157 WeakPolarHBondContact O-CG 3.47Å; T153-E157 PolarHBondContact O-N 2.94Å; V154-E157 PolarHBondContact O-N 3.35Å; E157-R160 PolarHBondContact O-N 3.05Å; E157-R160 IonicContact OE1-CZ 2.83Å; E157-R160 IonicContact OE1-NH1 2.59Å; E157-R160 PolarHBondContact OE1-NH1 3.22Å; E157-L161 WeakPolarHBondContact O-CB 3.21Å; E157-L161 WeakPolarHBondContact O-CG 3.2Å; E157-L161 PolarHBondContact O-N 3.42Å |
| 158 | L | 92.4 | Very high | 92.4 | Very high | 116 Ų | 116 | 108.7 Ų | 108.7 | 61% | 0.607 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -44 | 173.2 | -165.9 | 109.1 | 0 | 0 | 0 | 111.3 | V154 S155 L161 H162 | V154-L158 WeakPolarHBondContact O-CB 3.48Å; V154-L158 PolarHBondContact O-N 3.03Å; S155-L158 PolarHBondContact O-N 3.17Å; L158-L161 PolarHBondContact O-N 3.14Å; L158-H162 WeakPolarHBondContact O-CB 3.35Å; L158-H162 PolarHBondContact O-N 3.44Å |
| 159 | D | 93.3 | Very high | 92.3 | Very high | 90 Ų | 90 | 109.1 Ų | 109.1 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 175.9 | -75.2 | -23.7 | 0 | 0 | 0 | 112 | S155 Q156 H162 K163 | S155-D159 PolarHBondContact O-N 3.08Å; Q156-D159 PolarHBondContact O-N 3.09Å; D159-H162 PolarHBondContact O-N 3.36Å; D159-K163 WeakPolarHBondContact O-CG 3.3Å; D159-K163 PolarHBondContact O-N 3.05Å |
| 160 | R | 95.7 | Very high | 92.4 | Very high | 140 Ų | 140 | 106.6 Ų | 106.6 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | 173.8 | -77.6 | 173.6 | 178.4 | 177.9 | -1.3 | 111.6 | Q156 E157 H162 K163 L164 | Q156-R160 WeakPolarHBondContact O-CB 3.24Å; Q156-R160 VanDerWaalsContact O-CG 3.3Å; Q156-R160 WeakPolarHBondContact O-CG 3.26Å; Q156-R160 PolarHBondContact O-N 3.38Å; E157-R160 PolarHBondContact O-N 3.05Å; E157-R160 IonicContact OE1-CZ 2.83Å; E157-R160 IonicContact OE1-NH1 2.59Å; E157-R160 PolarHBondContact OE1-NH1 3.22Å; R160-H162 VanDerWaalsContact C-N 3.3Å; R160-H162 PolarHBondContact O-N 3.4Å; R160-K163 PolarHBondContact O-N 3.2Å; R160-L164 WeakPolarHBondContact O-CG 3.27Å; R160-L164 PolarHBondContact O-N 3.06Å |
| 161 | L | 94 | Very high | 92.5 | Very high | 115 Ų | 115 | 105.9 Ų | 105.9 | 60% | 0.602 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.9 | -39.9 | 176.3 | -84.2 | 164 | 0 | 0 | 0 | 111.7 | E157 L158 L164 Y165 | E157-L161 WeakPolarHBondContact O-CB 3.21Å; E157-L161 WeakPolarHBondContact O-CG 3.2Å; E157-L161 PolarHBondContact O-N 3.42Å; L158-L161 PolarHBondContact O-N 3.14Å; L161-L164 PolarHBondContact O-N 2.88Å; L161-Y165 WeakPolarHBondContact O-CB 3.42Å; L161-Y165 PolarHBondContact O-N 3.29Å |
| 162 | H | 91.4 | Very high | 92.5 | Very high | 107 Ų | 107 | 99.6 Ų | 99.6 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 177.2 | -166 | 74.8 | 0 | 0 | 0 | 111.9 | L158 D159 R160 Y165 Q166 | L158-H162 WeakPolarHBondContact O-CB 3.35Å; L158-H162 PolarHBondContact O-N 3.44Å; D159-H162 PolarHBondContact O-N 3.36Å; R160-H162 VanDerWaalsContact C-N 3.3Å; R160-H162 PolarHBondContact O-N 3.4Å; H162-Y165 PolarHBondContact O-N 3.32Å; H162-Q166 PolarHBondContact CD2-NE2 2.98Å; H162-Q166 PolarHBondContact NE2-NE2 2.86Å; H162-Q166 WeakPolarHBondContact O-CG 3.46Å; H162-Q166 PolarHBondContact O-N 3.39Å |
| 163 | K | 94 | Very high | 92.5 | Very high | 130 Ų | 130 | 100.6 Ų | 100.6 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.4 | -48.1 | 174.4 | -74.3 | 174.1 | -178.2 | 176 | 0 | 111.9 | D159 R160 Y165 Q166 E167 | D159-K163 WeakPolarHBondContact O-CG 3.3Å; D159-K163 PolarHBondContact O-N 3.05Å; R160-K163 PolarHBondContact O-N 3.2Å; K163-Y165 VanDerWaalsContact C-N 3.31Å; K163-Y165 PolarHBondContact O-N 2.87Å; K163-Q166 PolarHBondContact O-N 3.23Å; K163-E167 WeakPolarHBondContact O-CB 3.46Å; K163-E167 WeakPolarHBondContact O-CG 3.28Å; K163-E167 PolarHBondContact O-N 3.41Å |
| 164 | L | 93.6 | Very high | 92.6 | Very high | 96 Ų | 96 | 101.4 Ų | 101.4 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 177.5 | -74.8 | 172.3 | 0 | 0 | 0 | 112 | R160 L161 E167 H168 | R160-L164 WeakPolarHBondContact O-CG 3.27Å; R160-L164 PolarHBondContact O-N 3.06Å; L161-L164 PolarHBondContact O-N 2.88Å; L164-E167 PolarHBondContact O-N 2.99Å; L164-H168 WeakPolarHBondContact O-CB 3.48Å; L164-H168 PolarHBondContact O-N 2.83Å |
| 165 | Y | 89.9 | Confident | 92.6 | Very high | 150 Ų | 150 | 102.1 Ų | 102.1 | 59% | 0.588 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 175.9 | 179.8 | -98.6 | 0 | 0 | 0 | 112 | L161 H162 K163 H168 M169 | L161-Y165 WeakPolarHBondContact O-CB 3.42Å; L161-Y165 PolarHBondContact O-N 3.29Å; H162-Y165 PolarHBondContact O-N 3.32Å; K163-Y165 VanDerWaalsContact C-N 3.31Å; K163-Y165 PolarHBondContact O-N 2.87Å; Y165-H168 PolarHBondContact O-N 2.9Å; Y165-M169 HydrophobicContact CD1-CG 4.18Å; Y165-M169 HydrophobicContact CE1-CG 3.76Å; Y165-M169 HydrophobicContact CE2-CG 4.25Å; Y165-M169 HydrophobicContact CE2-SD 4.43Å; Y165-M169 WeakPolarHBondContact O-CB 3.33Å; Y165-M169 VanDerWaalsContact O-CG 3.26Å; Y165-M169 WeakPolarHBondContact O-CG 2.75Å; Y165-M169 PolarHBondContact O-N 3.17Å |
| 166 | Q | 93.3 | Very high | 92.8 | Very high | 103 Ų | 103 | 105 Ų | 105 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.9 | -75.3 | -175.8 | -4.7 | 0 | 0 | 112.2 | H162 K163 M169 T170 | H162-Q166 PolarHBondContact CD2-NE2 2.98Å; H162-Q166 PolarHBondContact NE2-NE2 2.86Å; H162-Q166 WeakPolarHBondContact O-CG 3.46Å; H162-Q166 PolarHBondContact O-N 3.39Å; K163-Q166 PolarHBondContact O-N 3.23Å; Q166-M169 PolarHBondContact O-N 3.02Å; Q166-T170 WeakPolarHBondContact O-CG2 3.47Å; Q166-T170 PolarHBondContact O-N 3.33Å; Q166-T170 PolarHBondContact O-OG1 3.01Å |
| 167 | E | 93.3 | Very high | 92.8 | Very high | 113 Ų | 113 | 107.5 Ų | 107.5 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 175.4 | -73.1 | 169.5 | -176.6 | 0 | 0 | 111.4 | K163 L164 M169 T170 E171 | K163-E167 WeakPolarHBondContact O-CB 3.46Å; K163-E167 WeakPolarHBondContact O-CG 3.28Å; K163-E167 PolarHBondContact O-N 3.41Å; L164-E167 PolarHBondContact O-N 2.99Å; E167-M169 VanDerWaalsContact C-N 3.31Å; E167-M169 PolarHBondContact O-N 3.45Å; E167-T170 PolarHBondContact O-N 2.88Å; E167-T170 PolarHBondContact O-OG1 3.32Å; E167-E171 VanDerWaalsContact O-CB 3.31Å; E167-E171 WeakPolarHBondContact O-CB 3.44Å; E167-E171 PolarHBondContact O-N 3.49Å |
| 168 | H | 90.9 | Very high | 92.8 | Very high | 131 Ų | 131 | 108 Ų | 108 | 61% | 0.606 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.7 | -38.1 | 175.7 | -112.3 | -55.9 | 0 | 0 | 0 | 112.7 | L164 Y165 A172 | L164-H168 WeakPolarHBondContact O-CB 3.48Å; L164-H168 PolarHBondContact O-N 2.83Å; Y165-H168 PolarHBondContact O-N 2.9Å; H168-A172 VanDerWaalsContact O-CB 3.24Å; H168-A172 WeakPolarHBondContact O-CB 3.15Å; H168-A172 PolarHBondContact O-N 3.34Å |
| 169 | M | 90.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 105 Ų | 105 | 41% | 0.409 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.5 | -76 | -62 | -61.4 | 0 | 0 | 112 | Y165 Q166 E167 Q173 | Y165-M169 HydrophobicContact CD1-CG 4.18Å; Y165-M169 HydrophobicContact CE1-CG 3.76Å; Y165-M169 HydrophobicContact CE2-CG 4.25Å; Y165-M169 HydrophobicContact CE2-SD 4.43Å; Y165-M169 WeakPolarHBondContact O-CB 3.33Å; Y165-M169 VanDerWaalsContact O-CG 3.26Å; Y165-M169 WeakPolarHBondContact O-CG 2.75Å; Y165-M169 PolarHBondContact O-N 3.17Å; Q166-M169 PolarHBondContact O-N 3.02Å; E167-M169 VanDerWaalsContact C-N 3.31Å; E167-M169 PolarHBondContact O-N 3.45Å; M169-Q173 VanDerWaalsContact O-CG 3.27Å; M169-Q173 WeakPolarHBondContact O-CG 3.37Å; M169-Q173 PolarHBondContact O-N 3.01Å; M169-Q173 VanDerWaalsContact O-N 3.14Å |
| 170 | T | 93.4 | Very high | 92.8 | Very high | 73 Ų | 73 | 105.1 Ų | 105.1 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.3 | -40.6 | 176.1 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | Q166 E167 Q173 I174 | Q166-T170 WeakPolarHBondContact O-CG2 3.47Å; Q166-T170 PolarHBondContact O-N 3.33Å; Q166-T170 PolarHBondContact O-OG1 3.01Å; E167-T170 PolarHBondContact O-N 2.88Å; E167-T170 PolarHBondContact O-OG1 3.32Å; T170-Q173 WeakPolarHBondContact O-CB 3.41Å; T170-Q173 PolarHBondContact O-N 3.41Å; T170-I174 WeakPolarHBondContact O-CG1 2.92Å; T170-I174 PolarHBondContact O-N 2.94Å |
| 171 | E | 93.7 | Very high | 92.7 | Very high | 103 Ų | 103 | 103.9 Ų | 103.9 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 176.8 | -163.7 | 168 | -146.5 | 0 | 0 | 111.7 | E167 Q173 I174 H175 | E167-E171 VanDerWaalsContact O-CB 3.31Å; E167-E171 WeakPolarHBondContact O-CB 3.44Å; E167-E171 PolarHBondContact O-N 3.49Å; E171-Q173 VanDerWaalsContact C-N 3.34Å; E171-Q173 PolarHBondContact O-N 3.39Å; E171-I174 PolarHBondContact O-N 2.95Å; E171-H175 PolarHBondContact O-CD2 3.26Å; E171-H175 PolarHBondContact O-N 3.21Å |
| 172 | A | 90.7 | Very high | 92.7 | Very high | 49 Ų | 49 | 104.2 Ų | 104.2 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H168 H175 V176 | H168-A172 VanDerWaalsContact O-CB 3.24Å; H168-A172 WeakPolarHBondContact O-CB 3.15Å; H168-A172 PolarHBondContact O-N 3.34Å; A172-H175 PolarHBondContact O-N 3.26Å; A172-V176 WeakPolarHBondContact O-CG2 2.86Å; A172-V176 PolarHBondContact O-N 3.44Å |
| 173 | Q | 92.8 | Very high | 92.9 | Very high | 125 Ų | 125 | 105 Ų | 105 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 175 | -74.7 | 172 | 8.1 | 0 | 0 | 112.2 | M169 T170 E171 V176 F177 | M169-Q173 VanDerWaalsContact O-CG 3.27Å; M169-Q173 WeakPolarHBondContact O-CG 3.37Å; M169-Q173 PolarHBondContact O-N 3.01Å; M169-Q173 VanDerWaalsContact O-N 3.14Å; T170-Q173 WeakPolarHBondContact O-CB 3.41Å; T170-Q173 PolarHBondContact O-N 3.41Å; E171-Q173 VanDerWaalsContact C-N 3.34Å; E171-Q173 PolarHBondContact O-N 3.39Å; Q173-V176 PolarHBondContact O-N 3.43Å; Q173-F177 PolarHBondContact O-N 3.31Å |
| 174 | I | 92.9 | Very high | 92.9 | Very high | 91 Ų | 91 | 102.9 Ų | 102.9 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 174.8 | -68.2 | 165.2 | 0 | 0 | 0 | 109.9 | T170 E171 V176 F177 E178 | T170-I174 WeakPolarHBondContact O-CG1 2.92Å; T170-I174 PolarHBondContact O-N 2.94Å; E171-I174 PolarHBondContact O-N 2.95Å; I174-V176 PolarHBondContact O-N 2.97Å; I174-F177 PolarHBondContact O-N 3.48Å; I174-F177 VanDerWaalsContact O-N 3.17Å; I174-E178 HydrophobicContact CG2-CG 4.26Å; I174-E178 WeakPolarHBondContact O-CB 3.39Å; I174-E178 WeakPolarHBondContact O-CG 3.33Å; I174-E178 PolarHBondContact O-N 2.96Å |
| 175 | H | 92.8 | Very high | 92.9 | Very high | 109 Ų | 109 | 102.4 Ų | 102.4 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 177.7 | -76.2 | -43.7 | 0 | 0 | 0 | 113.6 | E171 A172 E178 S179 | E171-H175 PolarHBondContact O-CD2 3.26Å; E171-H175 PolarHBondContact O-N 3.21Å; A172-H175 PolarHBondContact O-N 3.26Å; H175-E178 IonicContact ND1-OE2 2.73Å; H175-E178 PolarHBondContact O-N 3.02Å; H175-S179 WeakPolarHBondContact O-CB 3.11Å; H175-S179 PolarHBondContact O-N 3.06Å |
| 176 | V | 94.2 | Very high | 93.2 | Very high | 105 Ų | 105 | 100 Ų | 100 | 64% | 0.636 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 174.8 | 170 | 0 | 0 | 0 | 0 | 110.7 | A172 Q173 I174 S179 Q180 | A172-V176 WeakPolarHBondContact O-CG2 2.86Å; A172-V176 PolarHBondContact O-N 3.44Å; Q173-V176 PolarHBondContact O-N 3.43Å; I174-V176 PolarHBondContact O-N 2.97Å; V176-S179 PolarHBondContact O-N 2.71Å; V176-Q180 WeakPolarHBondContact O-CB 3.32Å; V176-Q180 PolarHBondContact O-N 2.98Å |
| 177 | F | 94.2 | Very high | 93.3 | Very high | 148 Ų | 148 | 101.3 Ų | 101.3 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 177.1 | -178.4 | -98.9 | 0 | 0 | 0 | 112.2 | Q173 I174 Q180 K181 | Q173-F177 PolarHBondContact O-N 3.31Å; I174-F177 PolarHBondContact O-N 3.48Å; I174-F177 VanDerWaalsContact O-N 3.17Å; F177-Q180 PolarHBondContact O-N 3.08Å; F177-K181 WeakPolarHBondContact O-CB 3.06Å; F177-K181 PolarHBondContact O-N 3.01Å |
| 178 | E | 92.6 | Very high | 93.4 | Very high | 91 Ų | 91 | 100.6 Ų | 100.6 | 43% | 0.425 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.8 | -73.2 | 179.9 | 159.8 | 0 | 0 | 112.2 | I174 H175 Q180 K181 Q182 | I174-E178 HydrophobicContact CG2-CG 4.26Å; I174-E178 WeakPolarHBondContact O-CB 3.39Å; I174-E178 WeakPolarHBondContact O-CG 3.33Å; I174-E178 PolarHBondContact O-N 2.96Å; H175-E178 IonicContact ND1-OE2 2.73Å; H175-E178 PolarHBondContact O-N 3.02Å; E178-Q180 VanDerWaalsContact C-N 3.34Å; E178-Q180 PolarHBondContact O-N 3.18Å; E178-K181 PolarHBondContact O-N 3.1Å; E178-Q182 WeakPolarHBondContact O-CB 3.5Å; E178-Q182 VanDerWaalsContact O-CG 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.42Å; E178-Q182 PolarHBondContact O-N 3.11Å |
| 179 | S | 90.8 | Very high | 93.5 | Very high | 54 Ų | 54 | 100.6 Ų | 100.6 | 38% | 0.378 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 175.2 | -173.3 | 0 | 0 | 0 | 0 | 111.5 | H175 V176 Q182 K183 | H175-S179 WeakPolarHBondContact O-CB 3.11Å; H175-S179 PolarHBondContact O-N 3.06Å; V176-S179 PolarHBondContact O-N 2.71Å; S179-Q182 PolarHBondContact O-N 2.83Å; S179-K183 WeakPolarHBondContact O-CG 3.49Å; S179-K183 PolarHBondContact O-N 3.36Å |
| 180 | Q | 93.8 | Very high | 93.7 | Very high | 92 Ų | 92 | 102 Ų | 102 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 175.7 | -172.1 | 58.7 | 36.9 | 0 | 0 | 111.4 | V176 F177 E178 Q182 K183 D184 | V176-Q180 WeakPolarHBondContact O-CB 3.32Å; V176-Q180 PolarHBondContact O-N 2.98Å; F177-Q180 PolarHBondContact O-N 3.08Å; E178-Q180 VanDerWaalsContact C-N 3.34Å; E178-Q180 PolarHBondContact O-N 3.18Å; Q180-Q182 VanDerWaalsContact C-N 3.32Å; Q180-Q182 PolarHBondContact O-N 3.2Å; Q180-K183 WeakPolarHBondContact O-CB 3.45Å; Q180-K183 PolarHBondContact O-N 3.45Å; Q180-K183 VanDerWaalsContact O-N 3.12Å; Q180-D184 PolarHBondContact NE2-OD1 2.9Å; Q180-D184 VanDerWaalsContact O-CG 3.24Å; Q180-D184 PolarHBondContact O-N 3.47Å |
| 181 | K | 94.8 | Very high | 93.8 | Very high | 114 Ų | 114 | 102.8 Ų | 102.8 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 175.2 | -178.5 | -175.8 | 176.5 | -174.8 | 0 | 112.1 | F177 E178 D184 Q185 | F177-K181 WeakPolarHBondContact O-CB 3.06Å; F177-K181 PolarHBondContact O-N 3.01Å; E178-K181 PolarHBondContact O-N 3.1Å; K181-D184 PolarHBondContact O-N 2.83Å; K181-Q185 WeakPolarHBondContact O-CB 3.47Å; K181-Q185 VanDerWaalsContact O-CG 3.29Å; K181-Q185 WeakPolarHBondContact O-CG 3.42Å; K181-Q185 PolarHBondContact O-N 2.8Å |
| 182 | Q | 92.9 | Very high | 93.9 | Very high | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -38.2 | 176.4 | -74 | 174.8 | 0.8 | 0 | 0 | 112 | E178 S179 Q180 Q185 L186 | E178-Q182 WeakPolarHBondContact O-CB 3.5Å; E178-Q182 VanDerWaalsContact O-CG 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.42Å; E178-Q182 PolarHBondContact O-N 3.11Å; S179-Q182 PolarHBondContact O-N 2.83Å; Q180-Q182 VanDerWaalsContact C-N 3.32Å; Q180-Q182 PolarHBondContact O-N 3.2Å; Q182-Q185 PolarHBondContact O-N 3.45Å; Q182-L186 WeakPolarHBondContact O-CB 3.42Å; Q182-L186 PolarHBondContact O-N 3.11Å |
| 183 | K | 94.7 | Very high | 94.1 | Very high | 125 Ų | 125 | 104 Ų | 104 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 173.6 | -77.4 | 178.6 | -178 | 174.9 | 0 | 112.1 | S179 Q180 Q185 L186 F187 | S179-K183 WeakPolarHBondContact O-CG 3.49Å; S179-K183 PolarHBondContact O-N 3.36Å; Q180-K183 WeakPolarHBondContact O-CB 3.45Å; Q180-K183 PolarHBondContact O-N 3.45Å; Q180-K183 VanDerWaalsContact O-N 3.12Å; K183-Q185 VanDerWaalsContact C-N 3.34Å; K183-L186 WeakPolarHBondContact O-CB 3.35Å; K183-L186 PolarHBondContact O-N 3.01Å; K183-F187 PolarHBondContact O-N 3.21Å |
| 184 | D | 94.8 | Very high | 94.2 | Very high | 84 Ų | 84 | 104.4 Ų | 104.4 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 178.4 | -62.4 | -18.3 | 0 | 0 | 0 | 110.2 | Q180 K181 L186 F187 D188 | Q180-D184 PolarHBondContact NE2-OD1 2.9Å; Q180-D184 VanDerWaalsContact O-CG 3.24Å; Q180-D184 PolarHBondContact O-N 3.47Å; K181-D184 PolarHBondContact O-N 2.83Å; D184-L186 PolarHBondContact O-N 2.82Å; D184-F187 WeakPolarHBondContact O-CB 3.43Å; D184-F187 PolarHBondContact O-N 3.5Å; D184-D188 PolarHBondContact O-N 3.38Å |
| 185 | Q | 94.7 | Very high | 94.4 | Very high | 86 Ų | 86 | 105.3 Ų | 105.3 | 40% | 0.402 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 173.2 | -74.1 | 177.9 | -15.7 | 0 | 0 | 112.7 | K181 Q182 K183 F187 D188 F189 | K181-Q185 WeakPolarHBondContact O-CB 3.47Å; K181-Q185 VanDerWaalsContact O-CG 3.29Å; K181-Q185 WeakPolarHBondContact O-CG 3.42Å; K181-Q185 PolarHBondContact O-N 2.8Å; Q182-Q185 PolarHBondContact O-N 3.45Å; K183-Q185 VanDerWaalsContact C-N 3.34Å; Q185-F187 VanDerWaalsContact C-N 3.31Å; Q185-F187 PolarHBondContact O-N 3.15Å; Q185-D188 PolarHBondContact O-N 3.35Å; Q185-F189 WeakPolarHBondContact O-CD2 3.48Å; Q185-F189 PolarHBondContact O-N 2.73Å |
| 186 | L | 95.3 | Very high | 94.5 | Very high | 101 Ų | 101 | 105.1 Ų | 105.1 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 175.2 | -101.3 | 159.8 | 0 | 0 | 0 | 111.8 | Q182 K183 D184 F189 Q190 | Q182-L186 WeakPolarHBondContact O-CB 3.42Å; Q182-L186 PolarHBondContact O-N 3.11Å; K183-L186 WeakPolarHBondContact O-CB 3.35Å; K183-L186 PolarHBondContact O-N 3.01Å; D184-L186 PolarHBondContact O-N 2.82Å; L186-F189 PolarHBondContact O-N 2.92Å; L186-Q190 WeakPolarHBondContact O-CB 3.37Å; L186-Q190 VanDerWaalsContact O-CG 3.28Å; L186-Q190 WeakPolarHBondContact O-CG 2.93Å; L186-Q190 PolarHBondContact O-N 3.43Å |
| 187 | F | 95.4 | Very high | 94.6 | Very high | 130 Ų | 130 | 105.5 Ų | 105.5 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -45.7 | 175.8 | -176.9 | -95 | 0 | 0 | 0 | 111.4 | K183 D184 Q185 F189 Q190 Q191 | K183-F187 PolarHBondContact O-N 3.21Å; D184-F187 WeakPolarHBondContact O-CB 3.43Å; D184-F187 PolarHBondContact O-N 3.5Å; Q185-F187 VanDerWaalsContact C-N 3.31Å; Q185-F187 PolarHBondContact O-N 3.15Å; F187-F189 VanDerWaalsContact C-N 3.33Å; F187-F189 PolarHBondContact O-N 3.41Å; F187-Q190 PolarHBondContact O-N 2.93Å; F187-Q191 WeakPolarHBondContact O-CB 3.29Å; F187-Q191 PolarHBondContact O-N 2.91Å |
| 188 | D | 94.8 | Very high | 94.7 | Very high | 98 Ų | 98 | 102 Ų | 102 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 176.1 | -68.6 | -20.2 | 0 | 0 | 0 | 111.6 | D184 Q185 Q191 L192 | D184-D188 PolarHBondContact O-N 3.38Å; Q185-D188 PolarHBondContact O-N 3.35Å; D188-Q191 PolarHBondContact O-N 3.43Å; D188-L192 WeakPolarHBondContact O-CB 3.49Å; D188-L192 PolarHBondContact O-N 2.96Å |
| 189 | F | 93.4 | Very high | 94.9 | Very high | 131 Ų | 131 | 101.5 Ų | 101.5 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 175.6 | -78.5 | -58.9 | 0 | 0 | 0 | 112.8 | Q185 L186 F187 Q191 L192 T193 | Q185-F189 WeakPolarHBondContact O-CD2 3.48Å; Q185-F189 PolarHBondContact O-N 2.73Å; L186-F189 PolarHBondContact O-N 2.92Å; F187-F189 VanDerWaalsContact C-N 3.33Å; F187-F189 PolarHBondContact O-N 3.41Å; F189-Q191 VanDerWaalsContact C-N 3.35Å; F189-L192 PolarHBondContact O-N 3.18Å; F189-T193 WeakPolarHBondContact O-CB 3.27Å; F189-T193 PolarHBondContact O-N 2.89Å; F189-T193 PolarHBondContact O-OG1 3.43Å |
| 190 | Q | 94.4 | Very high | 95.1 | Very high | 112 Ų | 112 | 102.1 Ų | 102.1 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.7 | -77.4 | 176 | -2.5 | 0 | 0 | 111.2 | L186 F187 T193 Q194 | L186-Q190 WeakPolarHBondContact O-CB 3.37Å; L186-Q190 VanDerWaalsContact O-CG 3.28Å; L186-Q190 WeakPolarHBondContact O-CG 2.93Å; L186-Q190 PolarHBondContact O-N 3.43Å; F187-Q190 PolarHBondContact O-N 2.93Å; Q190-T193 PolarHBondContact O-N 3.12Å; Q190-Q194 WeakPolarHBondContact O-CG 3.33Å; Q190-Q194 PolarHBondContact O-N 3.44Å |
| 191 | Q | 95.5 | Very high | 95.2 | Very high | 90 Ų | 90 | 102 Ų | 102 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -45 | 176.7 | -170.1 | -179.9 | 18.4 | 0 | 0 | 111.5 | F187 D188 F189 T193 Q194 Q195 | F187-Q191 WeakPolarHBondContact O-CB 3.29Å; F187-Q191 PolarHBondContact O-N 2.91Å; D188-Q191 PolarHBondContact O-N 3.43Å; F189-Q191 VanDerWaalsContact C-N 3.35Å; Q191-T193 VanDerWaalsContact C-N 3.33Å; Q191-T193 PolarHBondContact O-N 2.9Å; Q191-Q194 PolarHBondContact O-N 3.35Å; Q191-Q195 WeakPolarHBondContact O-CG 2.87Å; Q191-Q195 PolarHBondContact O-N 3.47Å |
| 192 | L | 96.3 | Very high | 95.3 | Very high | 89 Ų | 89 | 101.2 Ų | 101.2 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.7 | -175.5 | 64.9 | 0 | 0 | 0 | 111.7 | D188 F189 Q195 L196 | D188-L192 WeakPolarHBondContact O-CB 3.49Å; D188-L192 PolarHBondContact O-N 2.96Å; F189-L192 PolarHBondContact O-N 3.18Å; L192-Q195 PolarHBondContact O-N 3.48Å; L192-L196 HydrophobicContact CG-CD1 4.36Å; L192-L196 WeakPolarHBondContact O-CG 3.29Å; L192-L196 PolarHBondContact O-N 3.49Å |
| 193 | T | 94.9 | Very high | 95.4 | Very high | 89 Ų | 89 | 100.2 Ų | 100.2 | 55% | 0.546 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 177.6 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | F189 Q190 Q191 L196 H197 | F189-T193 WeakPolarHBondContact O-CB 3.27Å; F189-T193 PolarHBondContact O-N 2.89Å; F189-T193 PolarHBondContact O-OG1 3.43Å; Q190-T193 PolarHBondContact O-N 3.12Å; Q191-T193 VanDerWaalsContact C-N 3.33Å; Q191-T193 PolarHBondContact O-N 2.9Å; T193-L196 PolarHBondContact O-N 3.49Å; T193-H197 WeakPolarHBondContact O-CB 3.28Å; T193-H197 PolarHBondContact O-N 2.83Å |
| 194 | Q | 95.9 | Very high | 95.5 | Very high | 133 Ų | 133 | 98.8 Ų | 98.8 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 174.4 | -74.5 | 174.5 | 4.6 | 0 | 0 | 111.8 | Q190 Q191 L196 H197 V198 | Q190-Q194 WeakPolarHBondContact O-CG 3.33Å; Q190-Q194 PolarHBondContact O-N 3.44Å; Q191-Q194 PolarHBondContact O-N 3.35Å; Q194-L196 PolarHBondContact O-N 3.41Å; Q194-H197 PolarHBondContact O-N 3.34Å; Q194-V198 WeakPolarHBondContact O-CG2 3.42Å; Q194-V198 PolarHBondContact O-N 2.98Å |
| 195 | Q | 96.8 | Very high | 95.5 | Very high | 109 Ų | 109 | 98.2 Ų | 98.2 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 175.5 | -73.1 | 179.4 | -0.2 | 0 | 0 | 112.1 | Q191 L192 H197 V198 T199 | Q191-Q195 WeakPolarHBondContact O-CG 2.87Å; Q191-Q195 PolarHBondContact O-N 3.47Å; L192-Q195 PolarHBondContact O-N 3.48Å; Q195-H197 VanDerWaalsContact C-N 3.33Å; Q195-H197 PolarHBondContact O-N 3.01Å; Q195-V198 PolarHBondContact O-N 3.06Å; Q195-T199 WeakPolarHBondContact O-CB 3.28Å; Q195-T199 WeakPolarHBondContact O-CG2 3.47Å; Q195-T199 PolarHBondContact O-N 3.2Å; Q195-T199 PolarHBondContact O-OG1 3.37Å |
| 196 | L | 95.3 | Very high | 95.6 | Very high | 106 Ų | 106 | 96.9 Ų | 96.9 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 174.7 | -78.9 | 170.3 | 0 | 0 | 0 | 111.9 | L192 T193 Q194 T199 N200 | L192-L196 HydrophobicContact CG-CD1 4.36Å; L192-L196 WeakPolarHBondContact O-CG 3.29Å; L192-L196 PolarHBondContact O-N 3.49Å; T193-L196 PolarHBondContact O-N 3.49Å; Q194-L196 PolarHBondContact O-N 3.41Å; L196-T199 VanDerWaalsContact CA-OG1 3.31Å; L196-T199 WeakPolarHBondContact CA-OG1 3.42Å; L196-T199 PolarHBondContact O-N 3.14Å; L196-T199 PolarHBondContact O-OG1 2.72Å; L196-N200 VanDerWaalsContact O-CB 3.32Å; L196-N200 WeakPolarHBondContact O-CB 3.43Å; L196-N200 PolarHBondContact O-N 3.36Å |
| 197 | H | 95.9 | Very high | 95.6 | Very high | 112 Ų | 112 | 96.3 Ų | 96.3 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -47.2 | 177.5 | -162.6 | -42.1 | 0 | 0 | 0 | 111.8 | T193 Q194 Q195 T199 N200 E201 | T193-H197 WeakPolarHBondContact O-CB 3.28Å; T193-H197 PolarHBondContact O-N 2.83Å; Q194-H197 PolarHBondContact O-N 3.34Å; Q195-H197 VanDerWaalsContact C-N 3.33Å; Q195-H197 PolarHBondContact O-N 3.01Å; H197-T199 VanDerWaalsContact C-N 3.34Å; H197-T199 PolarHBondContact O-N 3.26Å; H197-N200 PolarHBondContact O-N 3.19Å; H197-E201 IonicContact CE1-OE1 2.82Å; H197-E201 PolarHBondContact CE1-OE1 3.44Å; H197-E201 IonicContact ND1-OE1 3.8Å; H197-E201 PolarHBondContact ND1-OE1 2.82Å; H197-E201 WeakPolarHBondContact O-CG 3.44Å; H197-E201 PolarHBondContact O-N 3.38Å |
| 198 | V | 96.9 | Very high | 95.7 | Very high | 76 Ų | 76 | 96.4 Ų | 96.4 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | Q194 Q195 N202 | Q194-V198 WeakPolarHBondContact O-CG2 3.42Å; Q194-V198 PolarHBondContact O-N 2.98Å; Q195-V198 PolarHBondContact O-N 3.06Å; V198-N202 WeakPolarHBondContact O-CB 3.12Å; V198-N202 PolarHBondContact O-N 2.72Å; V198-N202 PolarHBondContact O-ND2 3Å; V198-N202 VanDerWaalsContact O-ND2 3.13Å |
| 199 | T | 95.1 | Very high | 95.8 | Very high | 80 Ų | 80 | 97.2 Ų | 97.2 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -37.8 | 176.4 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | Q195 L196 H197 N202 M203 | Q195-T199 WeakPolarHBondContact O-CB 3.28Å; Q195-T199 WeakPolarHBondContact O-CG2 3.47Å; Q195-T199 PolarHBondContact O-N 3.2Å; Q195-T199 PolarHBondContact O-OG1 3.37Å; L196-T199 VanDerWaalsContact CA-OG1 3.31Å; L196-T199 WeakPolarHBondContact CA-OG1 3.42Å; L196-T199 PolarHBondContact O-N 3.14Å; L196-T199 PolarHBondContact O-OG1 2.72Å; H197-T199 VanDerWaalsContact C-N 3.34Å; H197-T199 PolarHBondContact O-N 3.26Å; T199-N202 PolarHBondContact O-N 3.28Å; T199-M203 WeakPolarHBondContact O-CB 3.37Å; T199-M203 PolarHBondContact O-N 3.34Å |
| 200 | N | 95.8 | Very high | 95.9 | Very high | 67 Ų | 67 | 97.5 Ų | 97.5 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 174.5 | -169.4 | 58.2 | 0 | 0 | 0 | 111.9 | L196 H197 N202 M203 E204 | L196-N200 VanDerWaalsContact O-CB 3.32Å; L196-N200 WeakPolarHBondContact O-CB 3.43Å; L196-N200 PolarHBondContact O-N 3.36Å; H197-N200 PolarHBondContact O-N 3.19Å; N200-N202 PolarHBondContact O-N 2.88Å; N200-M203 WeakPolarHBondContact O-CB 3.41Å; N200-M203 PolarHBondContact O-N 2.96Å; N200-M203 VanDerWaalsContact O-N 3.17Å; N200-M203 WeakPolarHBondContact OD1-CE 3.11Å; N200-E204 PolarHBondContact ND2-OE1 3.46Å; N200-E204 WeakPolarHBondContact O-CG 3.2Å; N200-E204 PolarHBondContact O-N 2.96Å |
| 201 | E | 96.3 | Very high | 96.1 | Very high | 90 Ų | 90 | 98.2 Ų | 98.2 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 174.5 | -75 | 176.4 | 167.4 | 0 | 0 | 111.9 | H197 M203 E204 V205 | H197-E201 IonicContact CE1-OE1 2.82Å; H197-E201 PolarHBondContact CE1-OE1 3.44Å; H197-E201 IonicContact ND1-OE1 3.8Å; H197-E201 PolarHBondContact ND1-OE1 2.82Å; H197-E201 WeakPolarHBondContact O-CG 3.44Å; H197-E201 PolarHBondContact O-N 3.38Å; E201-M203 VanDerWaalsContact C-N 3.29Å; E201-M203 PolarHBondContact O-N 3.47Å; E201-E204 PolarHBondContact O-N 3.31Å; E201-V205 WeakPolarHBondContact O-CG2 3.46Å; E201-V205 PolarHBondContact O-N 3.42Å |
| 202 | N | 96.5 | Very high | 96.2 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 176 | -73.4 | -30.5 | 0 | 0 | 0 | 111.8 | V198 T199 N200 V205 T206 | V198-N202 WeakPolarHBondContact O-CB 3.12Å; V198-N202 PolarHBondContact O-N 2.72Å; V198-N202 PolarHBondContact O-ND2 3Å; V198-N202 VanDerWaalsContact O-ND2 3.13Å; T199-N202 PolarHBondContact O-N 3.28Å; N200-N202 PolarHBondContact O-N 2.88Å; N202-V205 PolarHBondContact O-N 3.39Å; N202-T206 WeakPolarHBondContact O-CG2 3.45Å; N202-T206 PolarHBondContact O-N 2.88Å; N202-T206 PolarHBondContact O-OG1 2.92Å |
| 203 | M | 95.6 | Very high | 96.2 | Very high | 100 Ų | 100 | 99 Ų | 99 | 49% | 0.493 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 175.6 | -170.9 | 175.6 | 61.8 | 0 | 0 | 112 | T199 N200 E201 T206 N207 | T199-M203 WeakPolarHBondContact O-CB 3.37Å; T199-M203 PolarHBondContact O-N 3.34Å; N200-M203 WeakPolarHBondContact O-CB 3.41Å; N200-M203 PolarHBondContact O-N 2.96Å; N200-M203 VanDerWaalsContact O-N 3.17Å; N200-M203 WeakPolarHBondContact OD1-CE 3.11Å; E201-M203 VanDerWaalsContact C-N 3.29Å; E201-M203 PolarHBondContact O-N 3.47Å; M203-T206 WeakPolarHBondContact CA-OG1 3.41Å; M203-T206 PolarHBondContact O-N 2.99Å; M203-T206 PolarHBondContact O-OG1 2.96Å; M203-N207 WeakPolarHBondContact O-CB 3.46Å; M203-N207 PolarHBondContact O-N 3.38Å; M203-N207 PolarHBondContact O-ND2 2.9Å |
| 204 | E | 95.4 | Very high | 96.3 | Very high | 96 Ų | 96 | 98.7 Ų | 98.7 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175 | -75.4 | 175.2 | -169.7 | 0 | 0 | 111.8 | N200 E201 N207 Q208 | N200-E204 PolarHBondContact ND2-OE1 3.46Å; N200-E204 WeakPolarHBondContact O-CG 3.2Å; N200-E204 PolarHBondContact O-N 2.96Å; E201-E204 PolarHBondContact O-N 3.31Å; E204-N207 PolarHBondContact O-N 3.33Å; E204-Q208 WeakPolarHBondContact O-CG 3.41Å; E204-Q208 PolarHBondContact O-N 2.9Å |
| 205 | V | 95.9 | Very high | 96.3 | Very high | 71 Ų | 71 | 96 Ų | 96 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 176.7 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | E201 N202 Q208 Q209 | E201-V205 WeakPolarHBondContact O-CG2 3.46Å; E201-V205 PolarHBondContact O-N 3.42Å; N202-V205 PolarHBondContact O-N 3.39Å; V205-Q208 PolarHBondContact O-N 3.27Å; V205-Q209 WeakPolarHBondContact O-CG 3.33Å; V205-Q209 PolarHBondContact O-N 3.03Å |
| 206 | T | 95.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 95.2 Ų | 95.2 | 36% | 0.362 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 176.8 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | N202 M203 Q208 Q209 F210 | N202-T206 WeakPolarHBondContact O-CG2 3.45Å; N202-T206 PolarHBondContact O-N 2.88Å; N202-T206 PolarHBondContact O-OG1 2.92Å; M203-T206 WeakPolarHBondContact CA-OG1 3.41Å; M203-T206 PolarHBondContact O-N 2.99Å; M203-T206 PolarHBondContact O-OG1 2.96Å; T206-Q208 PolarHBondContact O-N 3.24Å; T206-Q209 WeakPolarHBondContact O-CB 3.46Å; T206-Q209 PolarHBondContact O-N 3.2Å; T206-F210 WeakPolarHBondContact O-CD2 3.42Å; T206-F210 PolarHBondContact O-N 3.41Å |
| 207 | N | 96.3 | Very high | 96.4 | Very high | 89 Ų | 89 | 95.5 Ų | 95.5 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 173.4 | -81.7 | -20.7 | 0 | 0 | 0 | 112.4 | M203 E204 Q209 F210 L211 | M203-N207 WeakPolarHBondContact O-CB 3.46Å; M203-N207 PolarHBondContact O-N 3.38Å; M203-N207 PolarHBondContact O-ND2 2.9Å; E204-N207 PolarHBondContact O-N 3.33Å; N207-Q209 VanDerWaalsContact C-N 3.33Å; N207-Q209 PolarHBondContact O-N 3.3Å; N207-F210 PolarHBondContact O-N 3.3Å; N207-L211 WeakPolarHBondContact O-CB 3.5Å; N207-L211 PolarHBondContact O-N 3.08Å |
| 208 | Q | 97.2 | Very high | 96.4 | Very high | 132 Ų | 132 | 93.2 Ų | 93.2 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.9 | -40.7 | 174.5 | -73.2 | 175 | 12.2 | 0 | 0 | 111.9 | E204 V205 T206 L211 K212 | E204-Q208 WeakPolarHBondContact O-CG 3.41Å; E204-Q208 PolarHBondContact O-N 2.9Å; V205-Q208 PolarHBondContact O-N 3.27Å; T206-Q208 PolarHBondContact O-N 3.24Å; Q208-L211 PolarHBondContact O-N 3.46Å; Q208-K212 WeakPolarHBondContact O-CB 3.44Å; Q208-K212 PolarHBondContact O-N 3.41Å |
| 209 | Q | 96.3 | Very high | 96.4 | Very high | 115 Ų | 115 | 93.6 Ų | 93.6 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.4 | -70.5 | 172.7 | -1.9 | 0 | 0 | 112.1 | V205 T206 N207 K212 T213 | V205-Q209 WeakPolarHBondContact O-CG 3.33Å; V205-Q209 PolarHBondContact O-N 3.03Å; T206-Q209 WeakPolarHBondContact O-CB 3.46Å; T206-Q209 PolarHBondContact O-N 3.2Å; N207-Q209 VanDerWaalsContact C-N 3.33Å; N207-Q209 PolarHBondContact O-N 3.3Å; Q209-K212 PolarHBondContact O-N 2.86Å; Q209-T213 PolarHBondContact O-N 3.04Å; Q209-T213 PolarHBondContact O-OG1 2.92Å |
| 210 | F | 96.4 | Very high | 96.5 | Very high | 136 Ų | 136 | 95.4 Ų | 95.4 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 174.2 | -72 | -49.9 | 0 | 0 | 0 | 111.8 | T206 N207 K212 T213 V214 | T206-F210 WeakPolarHBondContact O-CD2 3.42Å; T206-F210 PolarHBondContact O-N 3.41Å; N207-F210 PolarHBondContact O-N 3.3Å; F210-K212 VanDerWaalsContact C-N 3.32Å; F210-K212 PolarHBondContact O-N 2.81Å; F210-T213 PolarHBondContact O-N 3.03Å; F210-V214 WeakPolarHBondContact O-CB 3.42Å; F210-V214 VanDerWaalsContact O-CG2 3.31Å; F210-V214 WeakPolarHBondContact O-CG2 3.47Å; F210-V214 PolarHBondContact O-N 2.9Å |
| 211 | L | 97.8 | Very high | 96.6 | Very high | 127 Ų | 127 | 96.2 Ų | 96.2 | 67% | 0.665 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.1 | -47.3 | 177.8 | -150.7 | 93.4 | 0 | 0 | 0 | 110.7 | N207 Q208 T213 V214 T215 | N207-L211 WeakPolarHBondContact O-CB 3.5Å; N207-L211 PolarHBondContact O-N 3.08Å; Q208-L211 PolarHBondContact O-N 3.46Å; L211-T213 PolarHBondContact O-N 3.36Å; L211-V214 PolarHBondContact O-N 3.2Å; L211-T215 WeakPolarHBondContact O-CG2 3.37Å; L211-T215 PolarHBondContact O-N 3.49Å; L211-T215 PolarHBondContact O-OG1 3.45Å |
| 212 | K | 97.8 | Very high | 96.6 | Very high | 133 Ų | 133 | 95.8 Ų | 95.8 | 58% | 0.578 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.5 | -49.6 | 176.4 | -174 | 176.6 | 177.3 | -179.2 | 0 | 111.5 | Q208 Q209 F210 V214 T215 E216 | Q208-K212 WeakPolarHBondContact O-CB 3.44Å; Q208-K212 PolarHBondContact O-N 3.41Å; Q209-K212 PolarHBondContact O-N 2.86Å; F210-K212 VanDerWaalsContact C-N 3.32Å; F210-K212 PolarHBondContact O-N 2.81Å; K212-V214 VanDerWaalsContact C-N 3.34Å; K212-V214 PolarHBondContact O-N 3.26Å; K212-T215 WeakPolarHBondContact CA-OG1 3.41Å; K212-T215 PolarHBondContact O-N 2.9Å; K212-T215 PolarHBondContact O-OG1 2.88Å; K212-E216 WeakPolarHBondContact CE-OE1 3.37Å; K212-E216 WeakPolarHBondContact CG-OE1 3.04Å; K212-E216 WeakPolarHBondContact O-CG 3.44Å; K212-E216 PolarHBondContact O-N 3.35Å |
| 213 | T | 96.9 | Very high | 96.7 | Very high | 62 Ų | 62 | 96.6 Ų | 96.6 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 178.9 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | Q209 F210 L211 E216 Q217 | Q209-T213 PolarHBondContact O-N 3.04Å; Q209-T213 PolarHBondContact O-OG1 2.92Å; F210-T213 PolarHBondContact O-N 3.03Å; L211-T213 PolarHBondContact O-N 3.36Å; T213-E216 PolarHBondContact O-N 3.49Å; T213-Q217 WeakPolarHBondContact O-CB 3.4Å; T213-Q217 VanDerWaalsContact O-CG 3.31Å; T213-Q217 WeakPolarHBondContact O-CG 3.4Å; T213-Q217 PolarHBondContact O-N 2.96Å |
| 214 | V | 96.9 | Very high | 96.8 | Very high | 84 Ų | 84 | 97.3 Ų | 97.3 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 178.2 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | F210 L211 K212 S218 | F210-V214 WeakPolarHBondContact O-CB 3.42Å; F210-V214 VanDerWaalsContact O-CG2 3.31Å; F210-V214 WeakPolarHBondContact O-CG2 3.47Å; F210-V214 PolarHBondContact O-N 2.9Å; L211-V214 PolarHBondContact O-N 3.2Å; K212-V214 VanDerWaalsContact C-N 3.34Å; K212-V214 PolarHBondContact O-N 3.26Å; V214-S218 WeakPolarHBondContact O-CB 3.31Å; V214-S218 PolarHBondContact O-N 3.46Å; V214-S218 PolarHBondContact O-OG 2.95Å |
| 215 | T | 95.8 | Very high | 96.9 | Very high | 75 Ų | 75 | 99.1 Ų | 99.1 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 176.4 | 58.6 | 0 | 0 | 0 | 0 | 112 | L211 K212 S218 V219 | L211-T215 WeakPolarHBondContact O-CG2 3.37Å; L211-T215 PolarHBondContact O-N 3.49Å; L211-T215 PolarHBondContact O-OG1 3.45Å; K212-T215 WeakPolarHBondContact CA-OG1 3.41Å; K212-T215 PolarHBondContact O-N 2.9Å; K212-T215 PolarHBondContact O-OG1 2.88Å; T215-S218 WeakPolarHBondContact O-CB 3.47Å; T215-S218 PolarHBondContact O-N 3.25Å; T215-V219 WeakPolarHBondContact O-CG2 3.48Å; T215-V219 PolarHBondContact O-N 2.93Å |
| 216 | E | 97.1 | Very high | 96.9 | Very high | 94 Ų | 94 | 102.9 Ų | 102.9 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 177 | -72 | 171.8 | -178.4 | 0 | 0 | 111.6 | K212 T213 S218 V219 M220 | K212-E216 WeakPolarHBondContact CE-OE1 3.37Å; K212-E216 WeakPolarHBondContact CG-OE1 3.04Å; K212-E216 WeakPolarHBondContact O-CG 3.44Å; K212-E216 PolarHBondContact O-N 3.35Å; T213-E216 PolarHBondContact O-N 3.49Å; E216-S218 VanDerWaalsContact C-N 3.34Å; E216-S218 PolarHBondContact O-N 2.9Å; E216-V219 PolarHBondContact O-N 3.44Å; E216-M220 PolarHBondContact O-N 2.98Å |
| 217 | Q | 96.3 | Very high | 97 | Very high | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 175.3 | -73.3 | 179 | -4.8 | 0 | 0 | 112 | T213 V219 M220 I221 | T213-Q217 WeakPolarHBondContact O-CB 3.4Å; T213-Q217 VanDerWaalsContact O-CG 3.31Å; T213-Q217 WeakPolarHBondContact O-CG 3.4Å; T213-Q217 PolarHBondContact O-N 2.96Å; Q217-V219 VanDerWaalsContact C-N 3.32Å; Q217-V219 PolarHBondContact O-N 3.3Å; Q217-M220 PolarHBondContact O-N 2.9Å; Q217-I221 VanDerWaalsContact O-CG1 3.28Å; Q217-I221 WeakPolarHBondContact O-CG1 3.48Å; Q217-I221 PolarHBondContact O-N 2.99Å |
| 218 | S | 96.8 | Very high | 97.1 | Very high | 64 Ų | 64 | 107.3 Ų | 107.3 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 177.3 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | V214 T215 E216 I221 E222 | V214-S218 WeakPolarHBondContact O-CB 3.31Å; V214-S218 PolarHBondContact O-N 3.46Å; V214-S218 PolarHBondContact O-OG 2.95Å; T215-S218 WeakPolarHBondContact O-CB 3.47Å; T215-S218 PolarHBondContact O-N 3.25Å; E216-S218 VanDerWaalsContact C-N 3.34Å; E216-S218 PolarHBondContact O-N 2.9Å; S218-I221 PolarHBondContact O-N 3.36Å; S218-E222 PolarHBondContact O-N 2.9Å; S218-E222 VanDerWaalsContact O-N 3.12Å |
| 219 | V | 97.5 | Very high | 97.1 | Very high | 84 Ų | 84 | 108.3 Ų | 108.3 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | T215 E216 Q217 I221 E222 Q223 | T215-V219 WeakPolarHBondContact O-CG2 3.48Å; T215-V219 PolarHBondContact O-N 2.93Å; E216-V219 PolarHBondContact O-N 3.44Å; Q217-V219 VanDerWaalsContact C-N 3.32Å; Q217-V219 PolarHBondContact O-N 3.3Å; V219-I221 VanDerWaalsContact C-N 3.34Å; V219-I221 PolarHBondContact O-N 3.31Å; V219-E222 PolarHBondContact O-N 3.32Å; V219-Q223 WeakPolarHBondContact O-CG 3.43Å; V219-Q223 PolarHBondContact O-N 3.32Å |
| 220 | M | 97.1 | Very high | 97.2 | Very high | 118 Ų | 118 | 108 Ų | 108 | 58% | 0.581 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 176.9 | -73.4 | -170.1 | -168.2 | 0 | 0 | 112.2 | E216 Q217 E222 Q223 L224 | E216-M220 PolarHBondContact O-N 2.98Å; Q217-M220 PolarHBondContact O-N 2.9Å; M220-E222 VanDerWaalsContact C-N 3.31Å; M220-E222 PolarHBondContact O-N 2.83Å; M220-Q223 PolarHBondContact O-N 3.28Å; M220-L224 WeakPolarHBondContact O-CG 3.49Å; M220-L224 PolarHBondContact O-N 2.92Å |
| 221 | I | 96.8 | Very high | 97.1 | Very high | 83 Ų | 83 | 104 Ų | 104 | 43% | 0.426 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 177.4 | -73.1 | 167 | 0 | 0 | 0 | 110.5 | Q217 S218 V219 L224 R225 | Q217-I221 VanDerWaalsContact O-CG1 3.28Å; Q217-I221 WeakPolarHBondContact O-CG1 3.48Å; Q217-I221 PolarHBondContact O-N 2.99Å; S218-I221 PolarHBondContact O-N 3.36Å; V219-I221 VanDerWaalsContact C-N 3.34Å; V219-I221 PolarHBondContact O-N 3.31Å; I221-L224 PolarHBondContact O-N 2.92Å; I221-R225 WeakPolarHBondContact O-CG 3.31Å; I221-R225 PolarHBondContact O-N 2.85Å |
| 222 | E | 97.5 | Very high | 97.1 | Very high | 81 Ų | 81 | 103.4 Ų | 103.4 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.7 | -32.4 | -178 | -152.9 | 53.7 | -148.5 | 0 | 0 | 112.5 | S218 V219 M220 R225 K226 R229 | S218-E222 PolarHBondContact O-N 2.9Å; S218-E222 VanDerWaalsContact O-N 3.12Å; V219-E222 PolarHBondContact O-N 3.32Å; M220-E222 VanDerWaalsContact C-N 3.31Å; M220-E222 PolarHBondContact O-N 2.83Å; E222-R225 PolarHBondContact O-N 3.25Å; E222-R225 WeakPolarHBondContact OE2-CD 3.32Å; E222-R225 IonicContact OE2-CZ 2.65Å; E222-R225 IonicContact OE2-NE 2.98Å; E222-R225 IonicContact OE2-NH1 2.72Å; E222-R225 PolarHBondContact OE2-NH1 2.83Å; E222-K226 PolarHBondContact O-N 3.48Å; E222-R229 IonicContact OE1-CZ 2.7Å; E222-R229 IonicContact OE1-NH1 3.85Å; E222-R229 IonicContact OE1-NH2 3.21Å; E222-R229 PolarHBondContact OE1-NH2 3.2Å; E222-R229 VanDerWaalsContact OE1-NH2 3.08Å |
| 223 | Q | 97.8 | Very high | 97.1 | Very high | 113 Ų | 113 | 102.2 Ų | 102.2 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 169.7 | -71.3 | 177.8 | -0.1 | 0 | 0 | 112.3 | V219 M220 K226 K227 | V219-Q223 WeakPolarHBondContact O-CG 3.43Å; V219-Q223 PolarHBondContact O-N 3.32Å; M220-Q223 PolarHBondContact O-N 3.28Å; Q223-K226 WeakPolarHBondContact O-CB 3.33Å; Q223-K226 PolarHBondContact O-N 3.32Å; Q223-K227 PolarHBondContact O-N 2.93Å |
| 224 | L | 97.3 | Very high | 97.1 | Very high | 115 Ų | 115 | 104.6 Ų | 104.6 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 176.2 | -73 | 172.8 | 0 | 0 | 0 | 111.6 | M220 I221 K226 K227 L228 | M220-L224 WeakPolarHBondContact O-CG 3.49Å; M220-L224 PolarHBondContact O-N 2.92Å; I221-L224 PolarHBondContact O-N 2.92Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 2.92Å; L224-K227 PolarHBondContact O-N 3.39Å; L224-L228 WeakPolarHBondContact O-CB 3.41Å; L224-L228 PolarHBondContact O-N 3.35Å |
| 225 | R | 97.5 | Very high | 97.2 | Very high | 134 Ų | 134 | 106 Ų | 106 | 51% | 0.506 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 172.9 | -75.4 | 166.6 | 171.3 | 180 | 1.7 | 111.8 | I221 E222 L228 R229 | I221-R225 WeakPolarHBondContact O-CG 3.31Å; I221-R225 PolarHBondContact O-N 2.85Å; E222-R225 PolarHBondContact O-N 3.25Å; E222-R225 WeakPolarHBondContact OE2-CD 3.32Å; E222-R225 IonicContact OE2-CZ 2.65Å; E222-R225 IonicContact OE2-NE 2.98Å; E222-R225 IonicContact OE2-NH1 2.72Å; E222-R225 PolarHBondContact OE2-NH1 2.83Å; R225-L228 PolarHBondContact O-N 2.88Å; R225-R229 WeakPolarHBondContact O-CG 3.43Å; R225-R229 PolarHBondContact O-N 2.85Å |
| 226 | K | 97.6 | Very high | 97.2 | Very high | 151 Ų | 151 | 111.1 Ų | 111.1 | 66% | 0.657 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.7 | -48.1 | 175.1 | -170.6 | 177.6 | -180 | 179.3 | 0 | 111.5 | E222 Q223 L224 L228 R229 Q230 | E222-K226 PolarHBondContact O-N 3.48Å; Q223-K226 WeakPolarHBondContact O-CB 3.33Å; Q223-K226 PolarHBondContact O-N 3.32Å; L224-K226 VanDerWaalsContact C-N 3.33Å; L224-K226 PolarHBondContact O-N 2.92Å; K226-L228 VanDerWaalsContact C-N 3.33Å; K226-L228 PolarHBondContact O-N 3.21Å; K226-R229 PolarHBondContact O-N 2.84Å; K226-Q230 PolarHBondContact O-N 3.17Å |
| 227 | K | 96.8 | Very high | 97.3 | Very high | 144 Ų | 144 | 111.3 Ų | 111.3 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.6 | -41.7 | 175.5 | -71.3 | -178.4 | 179.1 | -179.9 | 0 | 112.2 | Q223 L224 Q230 A231 | Q223-K227 PolarHBondContact O-N 2.93Å; L224-K227 PolarHBondContact O-N 3.39Å; K227-Q230 PolarHBondContact O-N 2.93Å; K227-A231 WeakPolarHBondContact O-CB 3.48Å; K227-A231 PolarHBondContact O-N 3.06Å |
| 228 | L | 97.1 | Very high | 97.2 | Very high | 96 Ų | 96 | 108.5 Ų | 108.5 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 176.8 | -178.4 | 65.9 | 0 | 0 | 0 | 112.2 | L224 R225 K226 Q230 K232 | L224-L228 WeakPolarHBondContact O-CB 3.41Å; L224-L228 PolarHBondContact O-N 3.35Å; R225-L228 PolarHBondContact O-N 2.88Å; K226-L228 VanDerWaalsContact C-N 3.33Å; K226-L228 PolarHBondContact O-N 3.21Å; L228-Q230 VanDerWaalsContact C-N 3.32Å; L228-K232 HydrophobicContact CG-CD 4.49Å; L228-K232 WeakPolarHBondContact O-CB 3.39Å; L228-K232 VanDerWaalsContact O-CG 3.31Å; L228-K232 WeakPolarHBondContact O-CG 3.47Å; L228-K232 PolarHBondContact O-N 3.46Å |
| 229 | R | 97.9 | Very high | 97.3 | Very high | 153 Ų | 153 | 108.7 Ų | 108.7 | 58% | 0.577 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 175.6 | -70.4 | 175.5 | -161 | 142.8 | 10.3 | 110.9 | E222 R225 K226 K232 L233 | E222-R229 IonicContact OE1-CZ 2.7Å; E222-R229 IonicContact OE1-NH1 3.85Å; E222-R229 IonicContact OE1-NH2 3.21Å; E222-R229 PolarHBondContact OE1-NH2 3.2Å; E222-R229 VanDerWaalsContact OE1-NH2 3.08Å; R225-R229 WeakPolarHBondContact O-CG 3.43Å; R225-R229 PolarHBondContact O-N 2.85Å; K226-R229 PolarHBondContact O-N 2.84Å; R229-K232 PolarHBondContact O-N 3.46Å; R229-L233 PolarHBondContact O-N 3.47Å; R229-L233 VanDerWaalsContact O-N 3.14Å |
| 230 | Q | 97.8 | Very high | 97.2 | Very high | 110 Ų | 110 | 106.8 Ų | 106.8 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -50.1 | 176.8 | -178.6 | 171.9 | -5.6 | 0 | 0 | 112.2 | K226 K227 L228 K232 L233 E234 | K226-Q230 PolarHBondContact O-N 3.17Å; K227-Q230 PolarHBondContact O-N 2.93Å; L228-Q230 VanDerWaalsContact C-N 3.32Å; Q230-K232 VanDerWaalsContact C-N 3.27Å; Q230-K232 PolarHBondContact O-N 3.49Å; Q230-L233 WeakPolarHBondContact O-CA 3.31Å; Q230-L233 WeakPolarHBondContact O-CB 3.41Å; Q230-L233 PolarHBondContact O-N 3.27Å; Q230-E234 WeakPolarHBondContact CG-OE1 3.3Å; Q230-E234 PolarHBondContact NE2-OE1 3.13Å; Q230-E234 PolarHBondContact O-N 2.98Å |
| 231 | A | 95.5 | Very high | 97.2 | Very high | 51 Ų | 51 | 106.3 Ų | 106.3 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K227 L233 E234 L235 | K227-A231 WeakPolarHBondContact O-CB 3.48Å; K227-A231 PolarHBondContact O-N 3.06Å; A231-L233 VanDerWaalsContact C-N 3.33Å; A231-L233 PolarHBondContact O-N 3.46Å; A231-E234 PolarHBondContact O-N 3.44Å; A231-L235 WeakPolarHBondContact O-CB 3.41Å; A231-L235 PolarHBondContact O-N 3.27Å |
| 232 | K | 97.9 | Very high | 97.2 | Very high | 115 Ų | 115 | 106.6 Ų | 106.6 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -35.6 | 173.8 | -77.3 | 179.1 | 178.6 | -175 | 0 | 112.7 | L228 R229 Q230 R236 | L228-K232 HydrophobicContact CG-CD 4.49Å; L228-K232 WeakPolarHBondContact O-CB 3.39Å; L228-K232 VanDerWaalsContact O-CG 3.31Å; L228-K232 WeakPolarHBondContact O-CG 3.47Å; L228-K232 PolarHBondContact O-N 3.46Å; R229-K232 PolarHBondContact O-N 3.46Å; Q230-K232 VanDerWaalsContact C-N 3.27Å; Q230-K232 PolarHBondContact O-N 3.49Å; K232-R236 WeakPolarHBondContact O-CG 3.28Å; K232-R236 PolarHBondContact O-N 3.46Å; K232-R236 VanDerWaalsContact O-N 3.16Å |
| 233 | L | 97.9 | Very high | 97.2 | Very high | 107 Ų | 107 | 108.3 Ų | 108.3 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.5 | -47.7 | 176.4 | -173.4 | 69 | 0 | 0 | 0 | 110.5 | R229 Q230 A231 L235 R236 V237 | R229-L233 PolarHBondContact O-N 3.47Å; R229-L233 VanDerWaalsContact O-N 3.14Å; Q230-L233 WeakPolarHBondContact O-CA 3.31Å; Q230-L233 WeakPolarHBondContact O-CB 3.41Å; Q230-L233 PolarHBondContact O-N 3.27Å; A231-L233 VanDerWaalsContact C-N 3.33Å; A231-L233 PolarHBondContact O-N 3.46Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 3.15Å; L233-R236 WeakPolarHBondContact O-CB 3.4Å; L233-R236 PolarHBondContact O-N 2.93Å; L233-R236 VanDerWaalsContact O-N 3.11Å; L233-V237 WeakPolarHBondContact O-CG2 3.48Å; L233-V237 PolarHBondContact O-N 2.82Å |
| 234 | E | 97.1 | Very high | 97.2 | Very high | 113 Ų | 113 | 108 Ų | 108 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 176.4 | -70.2 | 169.3 | -170.1 | 0 | 0 | 111.4 | Q230 A231 R236 V237 A238 | Q230-E234 WeakPolarHBondContact CG-OE1 3.3Å; Q230-E234 PolarHBondContact NE2-OE1 3.13Å; Q230-E234 PolarHBondContact O-N 2.98Å; A231-E234 PolarHBondContact O-N 3.44Å; E234-R236 PolarHBondContact O-N 3.42Å; E234-V237 PolarHBondContact O-N 3.21Å; E234-A238 WeakPolarHBondContact O-CB 3.47Å; E234-A238 PolarHBondContact O-N 2.92Å |
| 235 | L | 97.3 | Very high | 97.1 | Very high | 113 Ų | 113 | 107.3 Ų | 107.3 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.5 | -44.6 | 173.9 | -179.8 | 63.9 | 0 | 0 | 0 | 112.2 | A231 L233 V237 A238 V239 | A231-L235 WeakPolarHBondContact O-CB 3.41Å; A231-L235 PolarHBondContact O-N 3.27Å; L233-L235 VanDerWaalsContact C-N 3.29Å; L233-L235 PolarHBondContact O-N 3.15Å; L235-V237 VanDerWaalsContact C-N 3.32Å; L235-V237 PolarHBondContact O-N 3.15Å; L235-A238 PolarHBondContact O-N 2.89Å; L235-V239 HydrophobicContact CD1-CG2 4.31Å; L235-V239 HydrophobicContact CG-CG2 4.47Å; L235-V239 VanDerWaalsContact O-CG2 3.27Å; L235-V239 WeakPolarHBondContact O-CG2 3.34Å; L235-V239 PolarHBondContact O-N 3.41Å |
| 236 | R | 97.6 | Very high | 97.1 | Very high | 183 Ų | 183 | 104 Ų | 104 | 69% | 0.691 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | 177.5 | -74.3 | 173.6 | -178.7 | 174.5 | -0.9 | 111.9 | K232 L233 E234 V239 A240 | K232-R236 WeakPolarHBondContact O-CG 3.28Å; K232-R236 PolarHBondContact O-N 3.46Å; K232-R236 VanDerWaalsContact O-N 3.16Å; L233-R236 WeakPolarHBondContact O-CB 3.4Å; L233-R236 PolarHBondContact O-N 2.93Å; L233-R236 VanDerWaalsContact O-N 3.11Å; E234-R236 PolarHBondContact O-N 3.42Å; R236-V239 PolarHBondContact O-N 3.5Å; R236-A240 WeakPolarHBondContact O-CB 3.43Å; R236-A240 PolarHBondContact O-N 3.19Å |
| 237 | V | 97.9 | Very high | 97.1 | Very high | 97 Ų | 97 | 101.2 Ų | 101.2 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | L233 E234 L235 A240 K241 | L233-V237 WeakPolarHBondContact O-CG2 3.48Å; L233-V237 PolarHBondContact O-N 2.82Å; E234-V237 PolarHBondContact O-N 3.21Å; L235-V237 VanDerWaalsContact C-N 3.32Å; L235-V237 PolarHBondContact O-N 3.15Å; V237-A240 PolarHBondContact O-N 3.07Å; V237-K241 PolarHBondContact O-N 2.69Å |
| 238 | A | 95.2 | Very high | 97.2 | Very high | 53 Ų | 53 | 96.5 Ų | 96.5 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E234 L235 K241 V242 | E234-A238 WeakPolarHBondContact O-CB 3.47Å; E234-A238 PolarHBondContact O-N 2.92Å; L235-A238 PolarHBondContact O-N 2.89Å; A238-K241 WeakPolarHBondContact O-CB 3.46Å; A238-K241 PolarHBondContact O-N 3.41Å; A238-V242 WeakPolarHBondContact O-CG2 3.43Å; A238-V242 PolarHBondContact O-N 3Å |
| 239 | V | 97.5 | Very high | 97.1 | Very high | 69 Ų | 69 | 96.1 Ų | 96.1 | 42% | 0.418 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 176 | 169.7 | 0 | 0 | 0 | 0 | 111 | L235 R236 K241 V242 E243 | L235-V239 HydrophobicContact CD1-CG2 4.31Å; L235-V239 HydrophobicContact CG-CG2 4.47Å; L235-V239 VanDerWaalsContact O-CG2 3.27Å; L235-V239 WeakPolarHBondContact O-CG2 3.34Å; L235-V239 PolarHBondContact O-N 3.41Å; R236-V239 PolarHBondContact O-N 3.5Å; V239-K241 VanDerWaalsContact C-N 3.25Å; V239-K241 PolarHBondContact O-N 3.43Å; V239-V242 PolarHBondContact O-N 3.39Å; V239-V242 VanDerWaalsContact O-N 3.11Å; V239-E243 PolarHBondContact O-N 2.92Å |
| 240 | A | 96.6 | Very high | 97 | Very high | 44 Ų | 44 | 94.3 Ų | 94.3 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R236 V237 E243 E244 | R236-A240 WeakPolarHBondContact O-CB 3.43Å; R236-A240 PolarHBondContact O-N 3.19Å; V237-A240 PolarHBondContact O-N 3.07Å; A240-E243 PolarHBondContact O-N 3.47Å; A240-E244 WeakPolarHBondContact O-CG 3.37Å; A240-E244 PolarHBondContact O-N 3.31Å |
| 241 | K | 97.1 | Very high | 97 | Very high | 108 Ų | 108 | 94.3 Ų | 94.3 | 47% | 0.47 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 176.2 | -167.8 | 71 | -151.6 | 160.1 | 0 | 112.7 | V237 A238 V239 E244 L245 | V237-K241 PolarHBondContact O-N 2.69Å; A238-K241 WeakPolarHBondContact O-CB 3.46Å; A238-K241 PolarHBondContact O-N 3.41Å; V239-K241 VanDerWaalsContact C-N 3.25Å; V239-K241 PolarHBondContact O-N 3.43Å; K241-E244 IonicContact NZ-OE2 3.55Å; K241-E244 PolarHBondContact NZ-OE2 2.92Å; K241-E244 PolarHBondContact O-N 3.29Å; K241-L245 WeakPolarHBondContact O-CG 3.35Å; K241-L245 PolarHBondContact O-N 2.99Å; K241-L245 VanDerWaalsContact O-N 3.08Å |
| 242 | V | 97.1 | Very high | 97 | Very high | 88 Ų | 88 | 97 Ų | 97 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | A238 V239 E244 L245 T246 | A238-V242 WeakPolarHBondContact O-CG2 3.43Å; A238-V242 PolarHBondContact O-N 3Å; V239-V242 PolarHBondContact O-N 3.39Å; V239-V242 VanDerWaalsContact O-N 3.11Å; V242-E244 VanDerWaalsContact C-N 3.35Å; V242-E244 PolarHBondContact O-N 3.47Å; V242-L245 PolarHBondContact O-N 2.95Å; V242-L245 VanDerWaalsContact O-N 3.14Å; V242-T246 PolarHBondContact O-N 2.95Å; V242-T246 PolarHBondContact O-OG1 2.9Å; V242-T246 VanDerWaalsContact O-OG1 3.06Å |
| 243 | E | 97.7 | Very high | 97 | Very high | 117 Ų | 117 | 96.2 Ų | 96.2 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -43.4 | 176.3 | -71.1 | 173.9 | -179.5 | 0 | 0 | 112.2 | V239 A240 L245 T246 N247 | V239-E243 PolarHBondContact O-N 2.92Å; A240-E243 PolarHBondContact O-N 3.47Å; E243-L245 PolarHBondContact O-N 3.35Å; E243-T246 PolarHBondContact O-N 3.29Å; E243-N247 VanDerWaalsContact O-CG 3.25Å; E243-N247 PolarHBondContact O-N 3.47Å; E243-N247 PolarHBondContact O-ND2 3.19Å |
| 244 | E | 97.3 | Very high | 96.9 | Very high | 108 Ų | 108 | 93.1 Ų | 93.1 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 173.4 | -74.4 | 176.8 | -175.3 | 0 | 0 | 112.5 | A240 K241 V242 A248 | A240-E244 WeakPolarHBondContact O-CG 3.37Å; A240-E244 PolarHBondContact O-N 3.31Å; K241-E244 IonicContact NZ-OE2 3.55Å; K241-E244 PolarHBondContact NZ-OE2 2.92Å; K241-E244 PolarHBondContact O-N 3.29Å; V242-E244 VanDerWaalsContact C-N 3.35Å; V242-E244 PolarHBondContact O-N 3.47Å; E244-A248 WeakPolarHBondContact O-CB 3.35Å; E244-A248 PolarHBondContact O-N 2.92Å |
| 245 | L | 95.8 | Very high | 96.9 | Very high | 99 Ų | 99 | 93.7 Ų | 93.7 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 179.1 | -70.8 | 173.9 | 0 | 0 | 0 | 112 | K241 V242 E243 A248 T249 | K241-L245 WeakPolarHBondContact O-CG 3.35Å; K241-L245 PolarHBondContact O-N 2.99Å; K241-L245 VanDerWaalsContact O-N 3.08Å; V242-L245 PolarHBondContact O-N 2.95Å; V242-L245 VanDerWaalsContact O-N 3.14Å; E243-L245 PolarHBondContact O-N 3.35Å; L245-A248 PolarHBondContact O-N 2.87Å; L245-T249 WeakPolarHBondContact O-CB 3.39Å; L245-T249 PolarHBondContact O-N 3.16Å; L245-T249 PolarHBondContact O-OG1 3.22Å |
| 246 | T | 97.3 | Very high | 96.8 | Very high | 64 Ų | 64 | 93.7 Ų | 93.7 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -49.1 | 174.9 | -62.3 | 0 | 0 | 0 | 0 | 110.6 | V242 E243 A248 T249 E250 | V242-T246 PolarHBondContact O-N 2.95Å; V242-T246 PolarHBondContact O-OG1 2.9Å; V242-T246 VanDerWaalsContact O-OG1 3.06Å; E243-T246 PolarHBondContact O-N 3.29Å; T246-A248 VanDerWaalsContact C-N 3.35Å; T246-A248 PolarHBondContact O-N 3.33Å; T246-T249 WeakPolarHBondContact O-CB 3.44Å; T246-T249 PolarHBondContact O-N 3.25Å; T246-T249 VanDerWaalsContact O-N 3.09Å; T246-E250 WeakPolarHBondContact O-CG 3.48Å; T246-E250 PolarHBondContact O-N 3.49Å |
| 247 | N | 97.7 | Very high | 96.7 | Very high | 93 Ų | 93 | 90.3 Ų | 90.3 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 176.8 | -67.7 | -20.3 | 0 | 0 | 0 | 111.8 | E243 T249 E250 D251 | E243-N247 VanDerWaalsContact O-CG 3.25Å; E243-N247 PolarHBondContact O-N 3.47Å; E243-N247 PolarHBondContact O-ND2 3.19Å; N247-T249 VanDerWaalsContact C-N 3.28Å; N247-T249 PolarHBondContact O-N 3.16Å; N247-E250 PolarHBondContact O-N 3.03Å; N247-D251 PolarHBondContact O-N 3Å |
| 248 | A | 97.3 | Very high | 96.6 | Very high | 46 Ų | 46 | 92.4 Ų | 92.4 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E244 L245 T246 L252 | E244-A248 WeakPolarHBondContact O-CB 3.35Å; E244-A248 PolarHBondContact O-N 2.92Å; L245-A248 PolarHBondContact O-N 2.87Å; T246-A248 VanDerWaalsContact C-N 3.35Å; T246-A248 PolarHBondContact O-N 3.33Å; A248-L252 WeakPolarHBondContact O-CB 3.4Å; A248-L252 VanDerWaalsContact O-CG 3.31Å; A248-L252 WeakPolarHBondContact O-CG 3.4Å; A248-L252 PolarHBondContact O-N 2.91Å |
| 249 | T | 95.8 | Very high | 96.6 | Very high | 88 Ų | 88 | 96.7 Ų | 96.7 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 176.6 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | L245 T246 N247 L252 Q253 | L245-T249 WeakPolarHBondContact O-CB 3.39Å; L245-T249 PolarHBondContact O-N 3.16Å; L245-T249 PolarHBondContact O-OG1 3.22Å; T246-T249 WeakPolarHBondContact O-CB 3.44Å; T246-T249 PolarHBondContact O-N 3.25Å; T246-T249 VanDerWaalsContact O-N 3.09Å; N247-T249 VanDerWaalsContact C-N 3.28Å; N247-T249 PolarHBondContact O-N 3.16Å; T249-L252 PolarHBondContact O-N 2.88Å; T249-Q253 WeakPolarHBondContact O-CB 3.5Å; T249-Q253 PolarHBondContact O-N 3.34Å |
| 250 | E | 96.7 | Very high | 96.5 | Very high | 115 Ų | 115 | 98.9 Ų | 98.9 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.4 | -71.6 | 180 | -179.2 | 0 | 0 | 111.8 | T246 N247 Q253 G254 | T246-E250 WeakPolarHBondContact O-CG 3.48Å; T246-E250 PolarHBondContact O-N 3.49Å; N247-E250 PolarHBondContact O-N 3.03Å; E250-Q253 PolarHBondContact O-N 2.95Å; E250-G254 PolarHBondContact O-N 3.29Å |
| 251 | D | 97.4 | Very high | 96.4 | Very high | 110 Ų | 110 | 103.9 Ų | 103.9 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.6 | -47.4 | 175 | -80.7 | -19.1 | 0 | 0 | 0 | 111.8 | N247 Q253 G254 Q255 | N247-D251 PolarHBondContact O-N 3Å; D251-Q253 VanDerWaalsContact C-N 3.33Å; D251-Q253 PolarHBondContact O-N 2.89Å; D251-G254 PolarHBondContact O-N 3.42Å; D251-Q255 WeakPolarHBondContact O-CG 3.43Å; D251-Q255 PolarHBondContact O-N 3.19Å |
| 252 | L | 95.7 | Very high | 96.3 | Very high | 107 Ų | 107 | 102.6 Ų | 102.6 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.6 | -40.8 | 176.6 | -74.1 | 174.3 | 0 | 0 | 0 | 111.6 | A248 T249 G254 Q255 M256 | A248-L252 WeakPolarHBondContact O-CB 3.4Å; A248-L252 VanDerWaalsContact O-CG 3.31Å; A248-L252 WeakPolarHBondContact O-CG 3.4Å; A248-L252 PolarHBondContact O-N 2.91Å; T249-L252 PolarHBondContact O-N 2.88Å; L252-G254 VanDerWaalsContact C-N 3.34Å; L252-Q255 PolarHBondContact O-N 2.98Å; L252-M256 WeakPolarHBondContact O-CG 3.39Å; L252-M256 PolarHBondContact O-N 3.48Å |
| 253 | Q | 96.4 | Very high | 96.2 | Very high | 99 Ų | 99 | 103 Ų | 103 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 176.3 | -163.3 | -179.2 | 17.1 | 0 | 0 | 111.6 | T249 E250 D251 M256 K257 | T249-Q253 WeakPolarHBondContact O-CB 3.5Å; T249-Q253 PolarHBondContact O-N 3.34Å; E250-Q253 PolarHBondContact O-N 2.95Å; D251-Q253 VanDerWaalsContact C-N 3.33Å; D251-Q253 PolarHBondContact O-N 2.89Å; Q253-M256 PolarHBondContact O-N 3.45Å; Q253-K257 WeakPolarHBondContact O-CG 3.4Å; Q253-K257 PolarHBondContact O-N 2.73Å |
| 254 | G | 97.3 | Very high | 96.1 | Very high | 41 Ų | 41 | 102.5 Ų | 102.5 | 42% | 0.423 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E250 D251 L252 K257 K258 | E250-G254 PolarHBondContact O-N 3.29Å; D251-G254 PolarHBondContact O-N 3.42Å; L252-G254 VanDerWaalsContact C-N 3.34Å; G254-K257 PolarHBondContact O-N 3.01Å; G254-K258 PolarHBondContact O-N 3.25Å |
| 255 | Q | 95.4 | Very high | 96 | Very high | 125 Ų | 125 | 100.9 Ų | 100.9 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.5 | -43.1 | 174.8 | -71.4 | -179 | 35.3 | 0 | 0 | 112.2 | D251 L252 K258 K259 | D251-Q255 WeakPolarHBondContact O-CG 3.43Å; D251-Q255 PolarHBondContact O-N 3.19Å; L252-Q255 PolarHBondContact O-N 2.98Å; Q255-K258 PolarHBondContact O-N 2.91Å; Q255-K259 WeakPolarHBondContact O-CG 3.34Å; Q255-K259 PolarHBondContact O-N 3.19Å |
| 256 | M | 95.5 | Very high | 95.9 | Very high | 114 Ų | 114 | 98.1 Ų | 98.1 | 56% | 0.562 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.1 | -48.7 | 175.2 | -72.5 | -153.1 | -29.7 | 0 | 0 | 111.6 | L252 Q253 K258 K259 E260 | L252-M256 WeakPolarHBondContact O-CG 3.39Å; L252-M256 PolarHBondContact O-N 3.48Å; Q253-M256 PolarHBondContact O-N 3.45Å; M256-K258 PolarHBondContact O-N 2.92Å; M256-K259 CarbonylContact O-C 3.6Å; M256-K259 WeakPolarHBondContact O-CA 3.47Å; M256-K259 WeakPolarHBondContact O-CB 3.48Å; M256-K259 PolarHBondContact O-N 3.28Å; M256-E260 WeakPolarHBondContact O-CG 3.48Å; M256-E260 PolarHBondContact O-N 3.07Å |
| 257 | K | 95.6 | Very high | 95.7 | Very high | 112 Ų | 112 | 99.6 Ų | 99.6 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.9 | -36.6 | 177.6 | -74.5 | 176.2 | -179.9 | 173.1 | 0 | 112.2 | Q253 G254 K261 | Q253-K257 WeakPolarHBondContact O-CG 3.4Å; Q253-K257 PolarHBondContact O-N 2.73Å; G254-K257 PolarHBondContact O-N 3.01Å; K257-K261 WeakPolarHBondContact O-CG 3.48Å; K257-K261 PolarHBondContact O-N 3.46Å; K257-K261 VanDerWaalsContact O-N 3.12Å |
| 258 | K | 97.1 | Very high | 95.6 | Very high | 141 Ų | 141 | 97 Ų | 97 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.8 | -45.5 | 174 | -172.5 | 177.6 | 178.8 | 179.5 | 0 | 111.1 | G254 Q255 M256 E260 K261 D262 | G254-K258 PolarHBondContact O-N 3.25Å; Q255-K258 PolarHBondContact O-N 2.91Å; M256-K258 PolarHBondContact O-N 2.92Å; K258-E260 PolarHBondContact O-N 3.38Å; K258-K261 WeakPolarHBondContact O-CB 3.47Å; K258-K261 PolarHBondContact O-N 3.23Å; K258-D262 PolarHBondContact O-N 2.74Å |
| 259 | K | 94.9 | Very high | 95.4 | Very high | 142 Ų | 142 | 103.5 Ų | 103.5 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.3 | -39.8 | 175.9 | -72.5 | -66.4 | -175.2 | -176.1 | 0 | 112.6 | Q255 M256 D262 V263 | Q255-K259 WeakPolarHBondContact O-CG 3.34Å; Q255-K259 PolarHBondContact O-N 3.19Å; M256-K259 CarbonylContact O-C 3.6Å; M256-K259 WeakPolarHBondContact O-CA 3.47Å; M256-K259 WeakPolarHBondContact O-CB 3.48Å; M256-K259 PolarHBondContact O-N 3.28Å; K259-D262 PolarHBondContact O-N 3.4Å; K259-V263 WeakPolarHBondContact O-CB 3.32Å; K259-V263 VanDerWaalsContact O-CG2 3.28Å; K259-V263 WeakPolarHBondContact O-CG2 3.49Å; K259-V263 PolarHBondContact O-N 2.8Å |
| 260 | E | 94.1 | Very high | 95.3 | Very high | 115 Ų | 115 | 104.7 Ų | 104.7 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 173.2 | -75 | 171.6 | 176.1 | 0 | 0 | 111.2 | M256 K258 D262 V263 V264 | M256-E260 WeakPolarHBondContact O-CG 3.48Å; M256-E260 PolarHBondContact O-N 3.07Å; K258-E260 PolarHBondContact O-N 3.38Å; E260-D262 VanDerWaalsContact C-N 3.35Å; E260-D262 PolarHBondContact O-N 2.95Å; E260-V263 PolarHBondContact O-N 3.08Å; E260-V264 VanDerWaalsContact O-CG2 3.3Å; E260-V264 WeakPolarHBondContact O-CG2 3.2Å; E260-V264 PolarHBondContact O-N 2.88Å |
| 261 | K | 95.6 | Very high | 95.2 | Very high | 149 Ų | 149 | 102.7 Ų | 102.7 | 65% | 0.648 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.5 | -41.3 | 175.2 | -71.1 | 175.7 | -176.4 | -177.3 | 0 | 112.5 | K257 K258 V264 S265 | K257-K261 WeakPolarHBondContact O-CG 3.48Å; K257-K261 PolarHBondContact O-N 3.46Å; K257-K261 VanDerWaalsContact O-N 3.12Å; K258-K261 WeakPolarHBondContact O-CB 3.47Å; K258-K261 PolarHBondContact O-N 3.23Å; K261-V264 PolarHBondContact O-N 2.83Å; K261-S265 WeakPolarHBondContact O-CB 3.37Å; K261-S265 PolarHBondContact O-N 3.28Å; K261-S265 PolarHBondContact O-OG 3Å |
| 262 | D | 95.6 | Very high | 95 | Very high | 81 Ų | 81 | 100.2 Ų | 100.2 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 177 | -67.8 | -19.2 | 0 | 0 | 0 | 111.1 | K258 K259 E260 S265 A266 | K258-D262 PolarHBondContact O-N 2.74Å; K259-D262 PolarHBondContact O-N 3.4Å; E260-D262 VanDerWaalsContact C-N 3.35Å; E260-D262 PolarHBondContact O-N 2.95Å; D262-S265 PolarHBondContact O-N 2.96Å; D262-A266 WeakPolarHBondContact O-CB 3.46Å; D262-A266 PolarHBondContact O-N 2.97Å |
| 263 | V | 94.8 | Very high | 94.9 | Very high | 98 Ų | 98 | 98.5 Ų | 98.5 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -46.8 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | K259 E260 S265 A266 H267 | K259-V263 WeakPolarHBondContact O-CB 3.32Å; K259-V263 VanDerWaalsContact O-CG2 3.28Å; K259-V263 WeakPolarHBondContact O-CG2 3.49Å; K259-V263 PolarHBondContact O-N 2.8Å; E260-V263 PolarHBondContact O-N 3.08Å; V263-S265 VanDerWaalsContact C-N 3.28Å; V263-S265 PolarHBondContact O-N 2.96Å; V263-A266 PolarHBondContact O-N 3.49Å; V263-H267 WeakPolarHBondContact O-CB 3.38Å; V263-H267 PolarHBondContact O-N 3.29Å |
| 264 | V | 95.3 | Very high | 94.9 | Very high | 105 Ų | 105 | 97.6 Ų | 97.6 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.8 | -41.2 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | E260 K261 H267 G268 | E260-V264 VanDerWaalsContact O-CG2 3.3Å; E260-V264 WeakPolarHBondContact O-CG2 3.2Å; E260-V264 PolarHBondContact O-N 2.88Å; K261-V264 PolarHBondContact O-N 2.83Å; V264-H267 PolarHBondContact O-N 3.37Å; V264-G268 PolarHBondContact O-N 2.98Å |
| 265 | S | 95 | Very high | 94.8 | Very high | 74 Ų | 74 | 103.2 Ų | 103.2 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 177.2 | -57 | 0 | 0 | 0 | 0 | 112.4 | K261 D262 V263 R269 | K261-S265 WeakPolarHBondContact O-CB 3.37Å; K261-S265 PolarHBondContact O-N 3.28Å; K261-S265 PolarHBondContact O-OG 3Å; D262-S265 PolarHBondContact O-N 2.96Å; V263-S265 VanDerWaalsContact C-N 3.28Å; V263-S265 PolarHBondContact O-N 2.96Å; S265-R269 WeakPolarHBondContact O-CG 3.43Å; S265-R269 PolarHBondContact O-N 3.27Å |
| 266 | A | 93.3 | Very high | 94.9 | Very high | 41 Ų | 41 | 105.6 Ų | 105.6 | 34% | 0.339 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D262 V263 G268 R269 E270 | D262-A266 WeakPolarHBondContact O-CB 3.46Å; D262-A266 PolarHBondContact O-N 2.97Å; V263-A266 PolarHBondContact O-N 3.49Å; A266-G268 PolarHBondContact O-N 3.28Å; A266-R269 WeakPolarHBondContact O-CB 3.08Å; A266-R269 PolarHBondContact O-N 3.37Å; A266-R269 VanDerWaalsContact O-N 3.11Å; A266-E270 PolarHBondContact O-N 2.92Å |
| 267 | H | 92.8 | Very high | 94.9 | Very high | 95 Ų | 95 | 104.3 Ų | 104.3 | 44% | 0.44 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 176.7 | -168.7 | 56.6 | 0 | 0 | 0 | 111.8 | V263 V264 R269 E270 E271 | V263-H267 WeakPolarHBondContact O-CB 3.38Å; V263-H267 PolarHBondContact O-N 3.29Å; V264-H267 PolarHBondContact O-N 3.37Å; H267-R269 VanDerWaalsContact C-N 3.28Å; H267-R269 PolarHBondContact O-N 3Å; H267-E270 IonicContact ND1-OE2 2.62Å; H267-E270 WeakPolarHBondContact O-CB 3.45Å; H267-E270 PolarHBondContact O-N 3.12Å; H267-E270 VanDerWaalsContact O-N 3.14Å; H267-E271 IonicContact CD2-OE1 3.91Å; H267-E271 IonicContact NE2-OE1 3.2Å; H267-E271 PolarHBondContact NE2-OE1 2.93Å; H267-E271 PolarHBondContact O-N 3.44Å |
| 268 | G | 95.1 | Very high | 94.9 | Very high | 38 Ų | 38 | 104.9 Ų | 104.9 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -34.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V264 A266 A272 | V264-G268 PolarHBondContact O-N 2.98Å; A266-G268 PolarHBondContact O-N 3.28Å; G268-A272 WeakPolarHBondContact O-CB 3.4Å; G268-A272 PolarHBondContact O-N 3.42Å; G268-A272 VanDerWaalsContact O-N 3.13Å |
| 269 | R | 94.8 | Very high | 94.9 | Very high | 184 Ų | 184 | 104.8 Ų | 104.8 | 69% | 0.694 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.4 | -39.3 | 173.2 | -72.5 | -172.1 | -65.5 | 170.2 | -0.2 | 112.4 | S265 A266 H267 A272 S273 | S265-R269 WeakPolarHBondContact O-CG 3.43Å; S265-R269 PolarHBondContact O-N 3.27Å; A266-R269 WeakPolarHBondContact O-CB 3.08Å; A266-R269 PolarHBondContact O-N 3.37Å; A266-R269 VanDerWaalsContact O-N 3.11Å; H267-R269 VanDerWaalsContact C-N 3.28Å; H267-R269 PolarHBondContact O-N 3Å; R269-A272 PolarHBondContact O-N 3.32Å; R269-S273 PolarHBondContact O-N 3.25Å |
| 270 | E | 92.3 | Very high | 94.9 | Very high | 112 Ų | 112 | 102.7 Ų | 102.7 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -50.5 | 174.8 | -176.3 | 177.9 | -157.1 | 0 | 0 | 110.7 | A266 H267 A272 S273 D274 | A266-E270 PolarHBondContact O-N 2.92Å; H267-E270 IonicContact ND1-OE2 2.62Å; H267-E270 WeakPolarHBondContact O-CB 3.45Å; H267-E270 PolarHBondContact O-N 3.12Å; H267-E270 VanDerWaalsContact O-N 3.14Å; E270-A272 VanDerWaalsContact C-N 3.28Å; E270-A272 PolarHBondContact O-N 3.45Å; E270-S273 CarbonylContact O-C 3.56Å; E270-S273 WeakPolarHBondContact O-CA 3.41Å; E270-S273 VanDerWaalsContact O-CB 3.32Å; E270-S273 WeakPolarHBondContact O-CB 3.35Å; E270-S273 PolarHBondContact O-N 3.45Å; E270-D274 PolarHBondContact O-N 3.41Å |
| 271 | E | 94.9 | Very high | 95 | Very high | 74 Ų | 74 | 102 Ų | 102 | 35% | 0.346 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57 | -40.8 | 175 | -74 | -172.8 | -166.2 | 0 | 0 | 112.5 | H267 S273 D274 R275 | H267-E271 IonicContact CD2-OE1 3.91Å; H267-E271 IonicContact NE2-OE1 3.2Å; H267-E271 PolarHBondContact NE2-OE1 2.93Å; H267-E271 PolarHBondContact O-N 3.44Å; E271-S273 VanDerWaalsContact C-N 3.33Å; E271-D274 PolarHBondContact O-N 3.26Å; E271-R275 VanDerWaalsContact O-CG 3.26Å; E271-R275 WeakPolarHBondContact O-CG 3.39Å; E271-R275 PolarHBondContact O-N 2.91Å; E271-R275 IonicContact OE2-NH2 3.84Å; E271-R275 PolarHBondContact OE2-NH2 3.42Å |
| 272 | A | 94.6 | Very high | 95 | Very high | 58 Ų | 58 | 97.7 Ų | 97.7 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G268 R269 E270 R276 | G268-A272 WeakPolarHBondContact O-CB 3.4Å; G268-A272 PolarHBondContact O-N 3.42Å; G268-A272 VanDerWaalsContact O-N 3.13Å; R269-A272 PolarHBondContact O-N 3.32Å; E270-A272 VanDerWaalsContact C-N 3.28Å; E270-A272 PolarHBondContact O-N 3.45Å; A272-R276 PolarHBondContact O-N 2.91Å; A272-R276 VanDerWaalsContact O-N 3.1Å |
| 273 | S | 92.6 | Very high | 95.1 | Very high | 71 Ų | 71 | 96.2 Ų | 96.2 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 173.8 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | R269 E270 E271 R275 R276 L277 | R269-S273 PolarHBondContact O-N 3.25Å; E270-S273 CarbonylContact O-C 3.56Å; E270-S273 WeakPolarHBondContact O-CA 3.41Å; E270-S273 VanDerWaalsContact O-CB 3.32Å; E270-S273 WeakPolarHBondContact O-CB 3.35Å; E270-S273 PolarHBondContact O-N 3.45Å; E271-S273 VanDerWaalsContact C-N 3.33Å; S273-R275 PolarHBondContact O-N 3.3Å; S273-R276 CarbonylContact O-C 3.55Å; S273-R276 WeakPolarHBondContact O-CB 3.4Å; S273-R276 PolarHBondContact O-N 2.85Å; S273-R276 VanDerWaalsContact O-N 3.16Å; S273-L277 WeakPolarHBondContact O-CB 3.4Å; S273-L277 PolarHBondContact O-N 3.46Å |
| 274 | D | 95.9 | Very high | 95.1 | Very high | 79 Ų | 79 | 95.9 Ų | 95.9 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.8 | -77.9 | -12.8 | 0 | 0 | 0 | 111.7 | E270 E271 R276 L277 Q278 | E270-D274 PolarHBondContact O-N 3.41Å; E271-D274 PolarHBondContact O-N 3.26Å; D274-R276 VanDerWaalsContact C-N 3.3Å; D274-R276 PolarHBondContact O-N 3.49Å; D274-L277 PolarHBondContact O-N 3.43Å; D274-Q278 WeakPolarHBondContact O-CG 3.31Å; D274-Q278 PolarHBondContact O-N 3.5Å |
| 275 | R | 96.1 | Very high | 95.1 | Very high | 160 Ų | 160 | 97.2 Ų | 97.2 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.3 | -42.5 | 173 | -70.4 | 174.2 | -156.6 | 177.7 | 9.2 | 111.3 | E271 S273 Q278 Q279 | E271-R275 VanDerWaalsContact O-CG 3.26Å; E271-R275 WeakPolarHBondContact O-CG 3.39Å; E271-R275 PolarHBondContact O-N 2.91Å; E271-R275 IonicContact OE2-NH2 3.84Å; E271-R275 PolarHBondContact OE2-NH2 3.42Å; S273-R275 PolarHBondContact O-N 3.3Å; R275-Q278 PolarHBondContact O-N 2.87Å; R275-Q279 PolarHBondContact O-N 3.38Å |
| 276 | R | 96.3 | Very high | 95.2 | Very high | 175 Ų | 175 | 99.8 Ų | 99.8 | 66% | 0.66 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -40.5 | 176 | -174.5 | 177.5 | -178.8 | 176.2 | 0.5 | 111.8 | A272 S273 D274 Q279 L280 | A272-R276 PolarHBondContact O-N 2.91Å; A272-R276 VanDerWaalsContact O-N 3.1Å; S273-R276 CarbonylContact O-C 3.55Å; S273-R276 WeakPolarHBondContact O-CB 3.4Å; S273-R276 PolarHBondContact O-N 2.85Å; S273-R276 VanDerWaalsContact O-N 3.16Å; D274-R276 VanDerWaalsContact C-N 3.3Å; D274-R276 PolarHBondContact O-N 3.49Å; R276-Q279 PolarHBondContact O-N 2.85Å; R276-L280 HydrophobicContact CG-CD1 4.42Å; R276-L280 WeakPolarHBondContact O-CG 3.48Å; R276-L280 PolarHBondContact O-N 2.94Å |
| 277 | L | 95.5 | Very high | 95.3 | Very high | 86 Ų | 86 | 102.3 Ų | 102.3 | 45% | 0.45 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 177.5 | -177.6 | 133.3 | 0 | 0 | 0 | 111.3 | S273 D274 Q279 L280 Q281 | S273-L277 WeakPolarHBondContact O-CB 3.4Å; S273-L277 PolarHBondContact O-N 3.46Å; D274-L277 PolarHBondContact O-N 3.43Å; L277-Q279 VanDerWaalsContact C-N 3.31Å; L277-Q279 PolarHBondContact O-N 3.28Å; L277-L280 PolarHBondContact O-N 3.48Å; L277-Q281 HydrophobicContact CD2-CG 4.36Å; L277-Q281 WeakPolarHBondContact O-CB 3.49Å; L277-Q281 WeakPolarHBondContact O-CG 3.33Å; L277-Q281 PolarHBondContact O-N 3.01Å |
| 278 | Q | 95.9 | Very high | 95.5 | Very high | 125 Ų | 125 | 103 Ų | 103 | 58% | 0.584 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.9 | -40.6 | 173.4 | -72.2 | 176.2 | 2.1 | 0 | 0 | 112 | D274 R275 Q281 S282 | D274-Q278 WeakPolarHBondContact O-CG 3.31Å; D274-Q278 PolarHBondContact O-N 3.5Å; R275-Q278 PolarHBondContact O-N 2.87Å; Q278-Q281 PolarHBondContact O-N 2.9Å; Q278-S282 PolarHBondContact O-N 2.97Å; Q278-S282 PolarHBondContact O-OG 3Å |
| 279 | Q | 96.6 | Very high | 95.5 | Very high | 139 Ų | 139 | 106.6 Ų | 106.6 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 175.4 | -172.2 | -178.2 | 4.2 | 0 | 0 | 112.4 | R275 R276 L277 S282 S283 | R275-Q279 PolarHBondContact O-N 3.38Å; R276-Q279 PolarHBondContact O-N 2.85Å; L277-Q279 VanDerWaalsContact C-N 3.31Å; L277-Q279 PolarHBondContact O-N 3.28Å; Q279-S282 PolarHBondContact O-N 2.7Å; Q279-S282 PolarHBondContact O-OG 3.24Å; Q279-S283 WeakPolarHBondContact O-CB 3.39Å; Q279-S283 PolarHBondContact O-N 3.42Å |
| 280 | L | 95.8 | Very high | 95.7 | Very high | 98 Ų | 98 | 106 Ų | 106 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 175.1 | -72.2 | 173.4 | 0 | 0 | 0 | 111.3 | R276 L277 S282 S283 I284 | R276-L280 HydrophobicContact CG-CD1 4.42Å; R276-L280 WeakPolarHBondContact O-CG 3.48Å; R276-L280 PolarHBondContact O-N 2.94Å; L277-L280 PolarHBondContact O-N 3.48Å; L280-S282 PolarHBondContact O-N 2.95Å; L280-S283 PolarHBondContact O-N 3.33Å; L280-I284 VanDerWaalsContact O-CG1 3.32Å; L280-I284 WeakPolarHBondContact O-CG1 3.49Å; L280-I284 PolarHBondContact O-N 3.23Å |
| 281 | Q | 96.7 | Very high | 95.8 | Very high | 99 Ų | 99 | 105.5 Ų | 105.5 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 175.6 | -77.3 | 179.5 | -14.4 | 0 | 0 | 112.3 | L277 Q278 I284 K285 | L277-Q281 HydrophobicContact CD2-CG 4.36Å; L277-Q281 WeakPolarHBondContact O-CB 3.49Å; L277-Q281 WeakPolarHBondContact O-CG 3.33Å; L277-Q281 PolarHBondContact O-N 3.01Å; Q278-Q281 PolarHBondContact O-N 2.9Å; Q281-I284 PolarHBondContact O-N 3.37Å; Q281-K285 WeakPolarHBondContact O-CG 3.46Å; Q281-K285 PolarHBondContact O-N 2.9Å |
| 282 | S | 95.8 | Very high | 95.9 | Very high | 59 Ų | 59 | 105.5 Ų | 105.5 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 176.1 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | Q278 Q279 L280 K285 Q286 | Q278-S282 PolarHBondContact O-N 2.97Å; Q278-S282 PolarHBondContact O-OG 3Å; Q279-S282 PolarHBondContact O-N 2.7Å; Q279-S282 PolarHBondContact O-OG 3.24Å; L280-S282 PolarHBondContact O-N 2.95Å; S282-K285 PolarHBondContact O-N 2.87Å; S282-Q286 WeakPolarHBondContact O-CG 3.41Å; S282-Q286 PolarHBondContact O-N 3.21Å |
| 283 | S | 97.3 | Very high | 96 | Very high | 51 Ų | 51 | 105.8 Ų | 105.8 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | Q279 L280 Q286 L287 | Q279-S283 WeakPolarHBondContact O-CB 3.39Å; Q279-S283 PolarHBondContact O-N 3.42Å; L280-S283 PolarHBondContact O-N 3.33Å; S283-Q286 WeakPolarHBondContact O-CB 3.31Å; S283-Q286 PolarHBondContact O-N 2.99Å; S283-L287 WeakPolarHBondContact O-CG 3.03Å; S283-L287 PolarHBondContact O-N 3.46Å |
| 284 | I | 95.5 | Very high | 96.1 | Very high | 91 Ų | 91 | 105.7 Ų | 105.7 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 174.7 | -71.6 | 166.7 | 0 | 0 | 0 | 110.1 | L280 Q281 Q286 L287 E288 | L280-I284 VanDerWaalsContact O-CG1 3.32Å; L280-I284 WeakPolarHBondContact O-CG1 3.49Å; L280-I284 PolarHBondContact O-N 3.23Å; Q281-I284 PolarHBondContact O-N 3.37Å; I284-Q286 VanDerWaalsContact C-N 3.26Å; I284-Q286 PolarHBondContact O-N 2.96Å; I284-L287 CarbonylContact O-C 3.59Å; I284-L287 PolarHBondContact O-N 2.99Å; I284-E288 HydrophobicContact CG2-CG 4.19Å; I284-E288 WeakPolarHBondContact O-CG 3.38Å; I284-E288 PolarHBondContact O-N 2.92Å |
| 285 | K | 95.4 | Very high | 96.1 | Very high | 132 Ų | 132 | 105.9 Ų | 105.9 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.1 | -40.4 | 176.9 | -74.2 | 176.8 | -179.9 | -179.7 | 0 | 112.3 | Q281 S282 E288 I289 | Q281-K285 WeakPolarHBondContact O-CG 3.46Å; Q281-K285 PolarHBondContact O-N 2.9Å; S282-K285 PolarHBondContact O-N 2.87Å; K285-E288 PolarHBondContact O-N 3.24Å; K285-I289 VanDerWaalsContact O-CG1 3.27Å; K285-I289 WeakPolarHBondContact O-CG1 3.32Å; K285-I289 PolarHBondContact O-N 3.41Å |
| 286 | Q | 97 | Very high | 96.1 | Very high | 128 Ų | 128 | 104.7 Ų | 104.7 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 175.5 | -74 | 177.2 | -10 | 0 | 0 | 112.4 | S282 S283 I284 I289 R290 | S282-Q286 WeakPolarHBondContact O-CG 3.41Å; S282-Q286 PolarHBondContact O-N 3.21Å; S283-Q286 WeakPolarHBondContact O-CB 3.31Å; S283-Q286 PolarHBondContact O-N 2.99Å; I284-Q286 VanDerWaalsContact C-N 3.26Å; I284-Q286 PolarHBondContact O-N 2.96Å; Q286-I289 PolarHBondContact O-N 3.34Å; Q286-R290 WeakPolarHBondContact O-CG 3.37Å; Q286-R290 PolarHBondContact O-N 2.76Å |
| 287 | L | 94.9 | Very high | 96 | Very high | 94 Ų | 94 | 101.4 Ų | 101.4 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.1 | -39 | 176.6 | -71.4 | 174.3 | 0 | 0 | 0 | 112.1 | S283 I284 R290 L291 | S283-L287 WeakPolarHBondContact O-CG 3.03Å; S283-L287 PolarHBondContact O-N 3.46Å; I284-L287 CarbonylContact O-C 3.59Å; I284-L287 PolarHBondContact O-N 2.99Å; L287-R290 PolarHBondContact O-N 2.92Å; L287-L291 WeakPolarHBondContact O-CB 3.37Å; L287-L291 PolarHBondContact O-N 3.13Å |
| 288 | E | 96.1 | Very high | 96 | Very high | 110 Ų | 110 | 99.8 Ų | 99.8 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 174.1 | -72.6 | 172.6 | 161.8 | 0 | 0 | 111.4 | I284 K285 R290 L291 C292 | I284-E288 HydrophobicContact CG2-CG 4.19Å; I284-E288 WeakPolarHBondContact O-CG 3.38Å; I284-E288 PolarHBondContact O-N 2.92Å; K285-E288 PolarHBondContact O-N 3.24Å; E288-R290 PolarHBondContact O-N 3.34Å; E288-L291 PolarHBondContact O-N 3.06Å; E288-C292 PolarHBondContact O-N 3.06Å; E288-C292 PolarHBondContact O-SG 2.93Å |
| 289 | I | 96.5 | Very high | 96 | Very high | 113 Ų | 113 | 97.6 Ų | 97.6 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -47.1 | 175.5 | -68.6 | 164.9 | 0 | 0 | 0 | 110.5 | K285 Q286 L291 C292 V293 | K285-I289 VanDerWaalsContact O-CG1 3.27Å; K285-I289 WeakPolarHBondContact O-CG1 3.32Å; K285-I289 PolarHBondContact O-N 3.41Å; Q286-I289 PolarHBondContact O-N 3.34Å; I289-L291 VanDerWaalsContact C-N 3.33Å; I289-L291 PolarHBondContact O-N 2.85Å; I289-C292 WeakPolarHBondContact O-CB 3.28Å; I289-C292 PolarHBondContact O-N 3.22Å; I289-V293 WeakPolarHBondContact O-CG2 3.45Å; I289-V293 PolarHBondContact O-N 2.89Å |
| 290 | R | 97.4 | Very high | 96 | Very high | 171 Ų | 171 | 96.5 Ų | 96.5 | 65% | 0.645 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60 | -43.2 | 177 | -75.7 | 175.4 | 63 | -165.9 | -1.6 | 111.8 | Q286 L287 E288 V293 T294 | Q286-R290 WeakPolarHBondContact O-CG 3.37Å; Q286-R290 PolarHBondContact O-N 2.76Å; L287-R290 PolarHBondContact O-N 2.92Å; E288-R290 PolarHBondContact O-N 3.34Å; R290-V293 PolarHBondContact O-N 3.28Å; R290-T294 WeakPolarHBondContact O-CG2 3.34Å; R290-T294 PolarHBondContact O-N 3.5Å; R290-T294 PolarHBondContact O-OG1 3.35Å |
| 291 | L | 95.1 | Very high | 95.9 | Very high | 103 Ų | 103 | 97 Ų | 97 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 177.7 | -178.9 | 63.6 | 0 | 0 | 0 | 111 | L287 E288 I289 V293 T294 I295 | L287-L291 WeakPolarHBondContact O-CB 3.37Å; L287-L291 PolarHBondContact O-N 3.13Å; E288-L291 PolarHBondContact O-N 3.06Å; I289-L291 VanDerWaalsContact C-N 3.33Å; I289-L291 PolarHBondContact O-N 2.85Å; L291-V293 VanDerWaalsContact C-N 3.31Å; L291-V293 PolarHBondContact O-N 2.86Å; L291-T294 WeakPolarHBondContact CA-OG1 3.23Å; L291-T294 PolarHBondContact O-N 3.31Å; L291-T294 PolarHBondContact O-OG1 2.86Å; L291-I295 HydrophobicContact CD1-CD1 4.18Å; L291-I295 HydrophobicContact CD1-CG1 4.34Å; L291-I295 HydrophobicContact CG-CD1 3.88Å; L291-I295 HydrophobicContact CG-CG1 4.45Å; L291-I295 WeakPolarHBondContact O-CG1 3.36Å; L291-I295 PolarHBondContact O-N 3.39Å |
| 292 | C | 96.8 | Very high | 95.9 | Very high | 74 Ų | 74 | 100.4 Ų | 100.4 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55.9 | -44.6 | 175.4 | -78 | 0 | 0 | 0 | 0 | 112.3 | E288 I289 I295 Q296 | E288-C292 PolarHBondContact O-N 3.06Å; E288-C292 PolarHBondContact O-SG 2.93Å; I289-C292 WeakPolarHBondContact O-CB 3.28Å; I289-C292 PolarHBondContact O-N 3.22Å; C292-I295 PolarHBondContact O-N 3.41Å; C292-Q296 WeakPolarHBondContact O-CG 3.39Å; C292-Q296 PolarHBondContact O-N 2.83Å |
| 293 | V | 96.7 | Very high | 95.9 | Very high | 63 Ų | 63 | 101.6 Ų | 101.6 | 38% | 0.382 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | I289 R290 L291 I295 Q296 E297 | I289-V293 WeakPolarHBondContact O-CG2 3.45Å; I289-V293 PolarHBondContact O-N 2.89Å; R290-V293 PolarHBondContact O-N 3.28Å; L291-V293 VanDerWaalsContact C-N 3.31Å; L291-V293 PolarHBondContact O-N 2.86Å; V293-I295 VanDerWaalsContact C-N 3.29Å; V293-I295 PolarHBondContact O-N 2.93Å; V293-Q296 WeakPolarHBondContact O-CB 3.38Å; V293-Q296 PolarHBondContact O-N 3.28Å; V293-Q296 VanDerWaalsContact O-N 3.09Å; V293-E297 HydrophobicContact CG1-CG 4.48Å; V293-E297 WeakPolarHBondContact O-CG 3.33Å; V293-E297 PolarHBondContact O-N 2.94Å |
| 294 | T | 95.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 103.5 Ų | 103.5 | 42% | 0.423 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -33 | 178.7 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | R290 L291 A298 | R290-T294 WeakPolarHBondContact O-CG2 3.34Å; R290-T294 PolarHBondContact O-N 3.5Å; R290-T294 PolarHBondContact O-OG1 3.35Å; L291-T294 WeakPolarHBondContact CA-OG1 3.23Å; L291-T294 PolarHBondContact O-N 3.31Å; L291-T294 PolarHBondContact O-OG1 2.86Å; T294-A298 VanDerWaalsContact O-CB 3.3Å; T294-A298 WeakPolarHBondContact O-CB 3.44Å; T294-A298 PolarHBondContact O-N 2.92Å |
| 295 | I | 95.3 | Very high | 95.8 | Very high | 84 Ų | 84 | 103.1 Ų | 103.1 | 43% | 0.431 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 174.1 | -71.1 | 169.2 | 0 | 0 | 0 | 110.4 | L291 C292 V293 A298 N299 | L291-I295 HydrophobicContact CD1-CD1 4.18Å; L291-I295 HydrophobicContact CD1-CG1 4.34Å; L291-I295 HydrophobicContact CG-CD1 3.88Å; L291-I295 HydrophobicContact CG-CG1 4.45Å; L291-I295 WeakPolarHBondContact O-CG1 3.36Å; L291-I295 PolarHBondContact O-N 3.39Å; C292-I295 PolarHBondContact O-N 3.41Å; V293-I295 VanDerWaalsContact C-N 3.29Å; V293-I295 PolarHBondContact O-N 2.93Å; I295-A298 PolarHBondContact O-N 2.91Å; I295-N299 WeakPolarHBondContact O-CB 3.33Å; I295-N299 VanDerWaalsContact O-CG 3.26Å; I295-N299 PolarHBondContact O-N 3.32Å; I295-N299 PolarHBondContact O-ND2 2.94Å |
| 296 | Q | 95.9 | Very high | 95.8 | Very high | 134 Ų | 134 | 99.9 Ų | 99.9 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | 175.2 | -74.1 | 175.6 | -11.1 | 0 | 0 | 111.3 | C292 V293 N299 Q300 | C292-Q296 WeakPolarHBondContact O-CG 3.39Å; C292-Q296 PolarHBondContact O-N 2.83Å; V293-Q296 WeakPolarHBondContact O-CB 3.38Å; V293-Q296 PolarHBondContact O-N 3.28Å; V293-Q296 VanDerWaalsContact O-N 3.09Å; Q296-N299 PolarHBondContact O-N 3.19Å; Q296-Q300 PolarHBondContact O-N 3.43Å |
| 297 | E | 95.8 | Very high | 95.7 | Very high | 106 Ų | 106 | 98.8 Ų | 98.8 | 50% | 0.495 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 175.1 | -70.1 | 171.3 | 175.2 | 0 | 0 | 111.8 | V293 N299 Q300 L301 | V293-E297 HydrophobicContact CG1-CG 4.48Å; V293-E297 WeakPolarHBondContact O-CG 3.33Å; V293-E297 PolarHBondContact O-N 2.94Å; E297-N299 VanDerWaalsContact C-N 3.31Å; E297-N299 PolarHBondContact O-N 2.88Å; E297-Q300 WeakPolarHBondContact O-CB 3.47Å; E297-Q300 PolarHBondContact O-N 3.46Å; E297-Q300 VanDerWaalsContact O-N 3.17Å; E297-L301 WeakPolarHBondContact O-CG 3.43Å; E297-L301 PolarHBondContact O-N 3.28Å |
| 298 | A | 94.2 | Very high | 95.7 | Very high | 53 Ų | 53 | 98.8 Ų | 98.8 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -38 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T294 I295 R302 | T294-A298 VanDerWaalsContact O-CB 3.3Å; T294-A298 WeakPolarHBondContact O-CB 3.44Å; T294-A298 PolarHBondContact O-N 2.92Å; I295-A298 PolarHBondContact O-N 2.91Å; A298-R302 WeakPolarHBondContact O-CB 3.48Å; A298-R302 PolarHBondContact O-N 2.89Å |
| 299 | N | 95.6 | Very high | 95.7 | Very high | 78 Ų | 78 | 97 Ų | 97 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 174.3 | -75.6 | -30.4 | 0 | 0 | 0 | 111.5 | I295 Q296 E297 R302 T303 | I295-N299 WeakPolarHBondContact O-CB 3.33Å; I295-N299 VanDerWaalsContact O-CG 3.26Å; I295-N299 PolarHBondContact O-N 3.32Å; I295-N299 PolarHBondContact O-ND2 2.94Å; Q296-N299 PolarHBondContact O-N 3.19Å; E297-N299 VanDerWaalsContact C-N 3.31Å; E297-N299 PolarHBondContact O-N 2.88Å; N299-R302 WeakPolarHBondContact O-CB 3.38Å; N299-R302 PolarHBondContact O-N 3.43Å; N299-T303 WeakPolarHBondContact O-CG2 3.46Å; N299-T303 PolarHBondContact O-N 2.92Å |
| 300 | Q | 96.5 | Very high | 95.6 | Very high | 116 Ų | 116 | 97.4 Ų | 97.4 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 175.4 | -175.7 | 172.7 | -5.2 | 0 | 0 | 111 | Q296 E297 R302 T303 E304 | Q296-Q300 PolarHBondContact O-N 3.43Å; E297-Q300 WeakPolarHBondContact O-CB 3.47Å; E297-Q300 PolarHBondContact O-N 3.46Å; E297-Q300 VanDerWaalsContact O-N 3.17Å; Q300-R302 VanDerWaalsContact C-N 3.26Å; Q300-R302 PolarHBondContact O-N 3.45Å; Q300-T303 PolarHBondContact O-N 3Å; Q300-T303 PolarHBondContact O-OG1 3.49Å; Q300-E304 PolarHBondContact NE2-OE1 3.28Å; Q300-E304 PolarHBondContact O-N 3.49Å |
| 301 | L | 95.3 | Very high | 95.5 | Very high | 109 Ų | 109 | 93.1 Ų | 93.1 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.3 | -38 | 174.9 | -71 | 174.5 | 0 | 0 | 0 | 112.2 | E297 E304 N305 | E297-L301 WeakPolarHBondContact O-CG 3.43Å; E297-L301 PolarHBondContact O-N 3.28Å; L301-E304 PolarHBondContact O-N 2.98Å; L301-N305 WeakPolarHBondContact O-CB 3.25Å; L301-N305 PolarHBondContact O-N 2.97Å |
| 302 | R | 96.1 | Very high | 95.4 | Very high | 170 Ų | 170 | 92.5 Ų | 92.5 | 64% | 0.642 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 174.3 | -172.5 | -177.7 | -71.3 | 170.7 | -2.9 | 111.3 | A298 N299 Q300 N305 T306 | A298-R302 WeakPolarHBondContact O-CB 3.48Å; A298-R302 PolarHBondContact O-N 2.89Å; N299-R302 WeakPolarHBondContact O-CB 3.38Å; N299-R302 PolarHBondContact O-N 3.43Å; Q300-R302 VanDerWaalsContact C-N 3.26Å; Q300-R302 PolarHBondContact O-N 3.45Å; R302-N305 PolarHBondContact O-N 3.3Å; R302-T306 WeakPolarHBondContact O-CG2 3.28Å; R302-T306 PolarHBondContact O-N 3.4Å; R302-T306 PolarHBondContact O-OG1 3.45Å |
| 303 | T | 95.3 | Very high | 95.3 | Very high | 85 Ų | 85 | 96.1 Ų | 96.1 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.4 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | N299 Q300 T306 H307 | N299-T303 WeakPolarHBondContact O-CG2 3.46Å; N299-T303 PolarHBondContact O-N 2.92Å; Q300-T303 PolarHBondContact O-N 3Å; Q300-T303 PolarHBondContact O-OG1 3.49Å; T303-T306 PolarHBondContact O-N 3.22Å; T303-T306 PolarHBondContact O-OG1 3.39Å; T303-H307 PolarHBondContact O-N 3.46Å |
| 304 | E | 95.2 | Very high | 95.3 | Very high | 91 Ų | 91 | 98.5 Ų | 98.5 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 175.3 | -70.3 | 172.9 | -170 | 0 | 0 | 111.4 | Q300 L301 T306 H307 L308 | Q300-E304 PolarHBondContact NE2-OE1 3.28Å; Q300-E304 PolarHBondContact O-N 3.49Å; L301-E304 PolarHBondContact O-N 2.98Å; E304-T306 PolarHBondContact O-N 3.26Å; E304-H307 WeakPolarHBondContact O-CA 3.47Å; E304-H307 WeakPolarHBondContact O-CB 3.32Å; E304-H307 PolarHBondContact O-N 3.14Å; E304-H307 VanDerWaalsContact O-N 3.08Å; E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 2.9Å |
| 305 | N | 95.3 | Very high | 95.2 | Very high | 83 Ų | 83 | 100.3 Ų | 100.3 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.3 | -169.5 | 51.4 | 0 | 0 | 0 | 111.7 | L301 R302 H307 L308 E309 | L301-N305 WeakPolarHBondContact O-CB 3.25Å; L301-N305 PolarHBondContact O-N 2.97Å; R302-N305 PolarHBondContact O-N 3.3Å; N305-H307 PolarHBondContact O-N 3.44Å; N305-L308 PolarHBondContact O-N 3.03Å; N305-E309 PolarHBondContact ND2-OE1 3.44Å; N305-E309 VanDerWaalsContact ND2-OE1 3.09Å; N305-E309 WeakPolarHBondContact O-CB 3.38Å; N305-E309 WeakPolarHBondContact O-CG 3.49Å; N305-E309 PolarHBondContact O-N 2.69Å |
| 306 | T | 94.9 | Very high | 95.2 | Very high | 64 Ų | 64 | 101.5 Ų | 101.5 | 39% | 0.393 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -31.6 | 175 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | R302 T303 E304 K310 | R302-T306 WeakPolarHBondContact O-CG2 3.28Å; R302-T306 PolarHBondContact O-N 3.4Å; R302-T306 PolarHBondContact O-OG1 3.45Å; T303-T306 PolarHBondContact O-N 3.22Å; T303-T306 PolarHBondContact O-OG1 3.39Å; E304-T306 PolarHBondContact O-N 3.26Å; T306-K310 WeakPolarHBondContact O-CG 3.36Å; T306-K310 PolarHBondContact O-N 3.43Å; T306-K310 VanDerWaalsContact O-N 3.16Å |
| 307 | H | 96.2 | Very high | 95.1 | Very high | 105 Ų | 105 | 97.3 Ų | 97.3 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.4 | -47.7 | 174.8 | -179.5 | 62.3 | 0 | 0 | 0 | 111.5 | T303 E304 N305 E309 K310 Q311 | T303-H307 PolarHBondContact O-N 3.46Å; E304-H307 WeakPolarHBondContact O-CA 3.47Å; E304-H307 WeakPolarHBondContact O-CB 3.32Å; E304-H307 PolarHBondContact O-N 3.14Å; E304-H307 VanDerWaalsContact O-N 3.08Å; N305-H307 PolarHBondContact O-N 3.44Å; H307-E309 VanDerWaalsContact C-N 3.33Å; H307-E309 PolarHBondContact O-N 3.47Å; H307-K310 WeakPolarHBondContact O-CB 3.31Å; H307-K310 PolarHBondContact O-N 3.42Å; H307-K310 VanDerWaalsContact O-N 3.14Å; H307-Q311 PolarHBondContact NE2-NE2 2.94Å; H307-Q311 VanDerWaalsContact NE2-NE2 3.1Å; H307-Q311 PolarHBondContact O-N 2.74Å |
| 308 | L | 95.2 | Very high | 95.1 | Very high | 93 Ų | 93 | 97.9 Ų | 97.9 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 176.1 | -69.1 | 175.3 | 0 | 0 | 0 | 112.2 | E304 N305 K310 Q311 T312 | E304-L308 WeakPolarHBondContact O-CG 3.48Å; E304-L308 PolarHBondContact O-N 2.9Å; N305-L308 PolarHBondContact O-N 3.03Å; L308-K310 VanDerWaalsContact C-N 3.34Å; L308-K310 PolarHBondContact O-N 2.9Å; L308-Q311 PolarHBondContact O-N 3.37Å; L308-T312 WeakPolarHBondContact O-CB 3.38Å; L308-T312 PolarHBondContact O-N 2.88Å; L308-T312 PolarHBondContact O-OG1 3.42Å |
| 309 | E | 94.7 | Very high | 95 | Very high | 72 Ų | 72 | 98.3 Ų | 98.3 | 34% | 0.336 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 173.6 | -77.2 | 179.4 | -163.1 | 0 | 0 | 112 | N305 H307 T312 R313 | N305-E309 PolarHBondContact ND2-OE1 3.44Å; N305-E309 VanDerWaalsContact ND2-OE1 3.09Å; N305-E309 WeakPolarHBondContact O-CB 3.38Å; N305-E309 WeakPolarHBondContact O-CG 3.49Å; N305-E309 PolarHBondContact O-N 2.69Å; H307-E309 VanDerWaalsContact C-N 3.33Å; H307-E309 PolarHBondContact O-N 3.47Å; E309-T312 PolarHBondContact O-N 2.92Å; E309-R313 VanDerWaalsContact O-CG 3.32Å; E309-R313 WeakPolarHBondContact O-CG 3.48Å; E309-R313 PolarHBondContact O-N 2.9Å; E309-R313 IonicContact OE2-CZ 3.08Å; E309-R313 IonicContact OE2-NH1 3.72Å; E309-R313 IonicContact OE2-NH2 3.67Å; E309-R313 PolarHBondContact OE2-NH2 3.22Å |
| 310 | K | 94.8 | Very high | 94.9 | Very high | 123 Ų | 123 | 98.5 Ų | 98.5 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 174.5 | -75.8 | 175.4 | -177.1 | -177.5 | 0 | 111 | T306 H307 L308 T312 R313 E314 | T306-K310 WeakPolarHBondContact O-CG 3.36Å; T306-K310 PolarHBondContact O-N 3.43Å; T306-K310 VanDerWaalsContact O-N 3.16Å; H307-K310 WeakPolarHBondContact O-CB 3.31Å; H307-K310 PolarHBondContact O-N 3.42Å; H307-K310 VanDerWaalsContact O-N 3.14Å; L308-K310 VanDerWaalsContact C-N 3.34Å; L308-K310 PolarHBondContact O-N 2.9Å; K310-T312 VanDerWaalsContact C-N 3.29Å; K310-T312 PolarHBondContact O-N 2.94Å; K310-R313 PolarHBondContact O-N 3.42Å; K310-E314 WeakPolarHBondContact O-CG 3.5Å; K310-E314 PolarHBondContact O-N 2.89Å |
| 311 | Q | 94.8 | Very high | 94.8 | Very high | 80 Ų | 80 | 98.8 Ų | 98.8 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 176 | -71.2 | -177.8 | -24.7 | 0 | 0 | 112.1 | H307 L308 E314 L315 | H307-Q311 PolarHBondContact NE2-NE2 2.94Å; H307-Q311 VanDerWaalsContact NE2-NE2 3.1Å; H307-Q311 PolarHBondContact O-N 2.74Å; L308-Q311 PolarHBondContact O-N 3.37Å; Q311-E314 PolarHBondContact O-N 3.04Å; Q311-L315 WeakPolarHBondContact O-CB 3.38Å; Q311-L315 WeakPolarHBondContact O-CG 3.49Å; Q311-L315 PolarHBondContact O-N 3.41Å |
| 312 | T | 94.3 | Very high | 94.7 | Very high | 91 Ų | 91 | 98.4 Ų | 98.4 | 56% | 0.558 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 177.2 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | L308 E309 K310 L315 Q316 | L308-T312 WeakPolarHBondContact O-CB 3.38Å; L308-T312 PolarHBondContact O-N 2.88Å; L308-T312 PolarHBondContact O-OG1 3.42Å; E309-T312 PolarHBondContact O-N 2.92Å; K310-T312 VanDerWaalsContact C-N 3.29Å; K310-T312 PolarHBondContact O-N 2.94Å; T312-L315 PolarHBondContact O-N 2.96Å; T312-Q316 WeakPolarHBondContact O-CB 3.38Å; T312-Q316 PolarHBondContact O-N 3.39Å |
| 313 | R | 94.8 | Very high | 94.5 | Very high | 149 Ų | 149 | 95.2 Ų | 95.2 | 56% | 0.562 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 175.3 | -70.9 | 179 | -163 | 105.6 | 4.1 | 111.9 | E309 K310 Q316 A317 | E309-R313 VanDerWaalsContact O-CG 3.32Å; E309-R313 WeakPolarHBondContact O-CG 3.48Å; E309-R313 PolarHBondContact O-N 2.9Å; E309-R313 IonicContact OE2-CZ 3.08Å; E309-R313 IonicContact OE2-NH1 3.72Å; E309-R313 IonicContact OE2-NH2 3.67Å; E309-R313 PolarHBondContact OE2-NH2 3.22Å; K310-R313 PolarHBondContact O-N 3.42Å; R313-Q316 PolarHBondContact O-N 2.82Å; R313-A317 WeakPolarHBondContact O-CB 3.5Å; R313-A317 PolarHBondContact O-N 2.72Å |
| 314 | E | 95 | Very high | 94.4 | Very high | 114 Ų | 114 | 97.4 Ų | 97.4 | 53% | 0.533 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 176.4 | -73.3 | 171.5 | -164.1 | 0 | 0 | 111.9 | K310 Q311 A317 K318 | K310-E314 WeakPolarHBondContact O-CG 3.5Å; K310-E314 PolarHBondContact O-N 2.89Å; Q311-E314 PolarHBondContact O-N 3.04Å; E314-A317 PolarHBondContact O-N 3.37Å; E314-K318 WeakPolarHBondContact O-CG 3.36Å; E314-K318 PolarHBondContact O-N 3.35Å |
| 315 | L | 94.6 | Very high | 94.3 | Very high | 106 Ų | 106 | 98.5 Ų | 98.5 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | 175.2 | -73.4 | 173.8 | 0 | 0 | 0 | 111.7 | Q311 T312 A317 K318 C319 | Q311-L315 WeakPolarHBondContact O-CB 3.38Å; Q311-L315 WeakPolarHBondContact O-CG 3.49Å; Q311-L315 PolarHBondContact O-N 3.41Å; T312-L315 PolarHBondContact O-N 2.96Å; L315-A317 VanDerWaalsContact C-N 3.32Å; L315-A317 PolarHBondContact O-N 3.43Å; L315-K318 WeakPolarHBondContact O-CB 3.47Å; L315-K318 PolarHBondContact O-N 2.86Å; L315-C319 PolarHBondContact O-N 3.44Å; L315-C319 PolarHBondContact O-SG 3.46Å; L315-C319 VanDerWaalsContact O-SG 3.39Å |
| 316 | Q | 95.1 | Very high | 94.3 | Very high | 109 Ų | 109 | 103.5 Ų | 103.5 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.5 | -173.2 | 65.9 | 40.7 | 0 | 0 | 111.5 | T312 R313 C319 N320 | T312-Q316 WeakPolarHBondContact O-CB 3.38Å; T312-Q316 PolarHBondContact O-N 3.39Å; R313-Q316 PolarHBondContact O-N 2.82Å; Q316-C319 PolarHBondContact O-N 2.93Å; Q316-N320 PolarHBondContact NE2-OD1 3.24Å; Q316-N320 VanDerWaalsContact NE2-OD1 3.14Å; Q316-N320 PolarHBondContact O-N 2.97Å; Q316-N320 PolarHBondContact O-OD1 3.05Å |
| 317 | A | 94.1 | Very high | 94.2 | Very high | 47 Ų | 47 | 108 Ų | 108 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R313 E314 L315 C319 N320 E321 | R313-A317 WeakPolarHBondContact O-CB 3.5Å; R313-A317 PolarHBondContact O-N 2.72Å; E314-A317 PolarHBondContact O-N 3.37Å; L315-A317 VanDerWaalsContact C-N 3.32Å; L315-A317 PolarHBondContact O-N 3.43Å; A317-C319 PolarHBondContact O-N 3.37Å; A317-N320 PolarHBondContact O-N 3.07Å; A317-E321 WeakPolarHBondContact O-CG 3.42Å; A317-E321 PolarHBondContact O-N 2.88Å |
| 318 | K | 94.8 | Very high | 94.1 | Very high | 117 Ų | 117 | 107 Ų | 107 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 174.8 | -71.4 | 174.2 | -177.1 | 175.5 | 0 | 112.5 | E314 L315 E321 L322 | E314-K318 WeakPolarHBondContact O-CG 3.36Å; E314-K318 PolarHBondContact O-N 3.35Å; L315-K318 WeakPolarHBondContact O-CB 3.47Å; L315-K318 PolarHBondContact O-N 2.86Å; K318-E321 PolarHBondContact O-N 3.18Å; K318-L322 WeakPolarHBondContact O-CB 3.27Å; K318-L322 VanDerWaalsContact O-CG 3.31Å; K318-L322 WeakPolarHBondContact O-CG 3.38Å; K318-L322 PolarHBondContact O-N 2.86Å |
| 319 | C | 92.3 | Very high | 93.8 | Very high | 62 Ų | 62 | 104.9 Ų | 104.9 | 42% | 0.419 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 175.4 | -73.5 | 0 | 0 | 0 | 0 | 111.3 | L315 Q316 A317 E321 L322 E323 | L315-C319 PolarHBondContact O-N 3.44Å; L315-C319 PolarHBondContact O-SG 3.46Å; L315-C319 VanDerWaalsContact O-SG 3.39Å; Q316-C319 PolarHBondContact O-N 2.93Å; A317-C319 PolarHBondContact O-N 3.37Å; C319-E321 VanDerWaalsContact C-N 3.34Å; C319-E321 PolarHBondContact O-N 3.22Å; C319-L322 PolarHBondContact O-N 3.45Å; C319-E323 WeakPolarHBondContact O-CB 3.45Å; C319-E323 WeakPolarHBondContact O-CG 3.27Å; C319-E323 PolarHBondContact O-N 2.94Å |
| 320 | N | 94.3 | Very high | 93.7 | Very high | 82 Ų | 82 | 105.4 Ų | 105.4 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 177.7 | -64.8 | -10.4 | 0 | 0 | 0 | 112 | Q316 A317 E323 K324 | Q316-N320 PolarHBondContact NE2-OD1 3.24Å; Q316-N320 VanDerWaalsContact NE2-OD1 3.14Å; Q316-N320 PolarHBondContact O-N 2.97Å; Q316-N320 PolarHBondContact O-OD1 3.05Å; A317-N320 PolarHBondContact O-N 3.07Å; N320-E323 PolarHBondContact O-N 3.08Å; N320-K324 WeakPolarHBondContact O-CB 3.36Å; N320-K324 PolarHBondContact O-N 3.1Å |
| 321 | E | 94.3 | Very high | 93.6 | Very high | 122 Ų | 122 | 103 Ų | 103 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.6 | -48.9 | 174.1 | -76.4 | 173.9 | 176.7 | 0 | 0 | 111.4 | A317 K318 C319 E323 K324 E325 | A317-E321 WeakPolarHBondContact O-CG 3.42Å; A317-E321 PolarHBondContact O-N 2.88Å; K318-E321 PolarHBondContact O-N 3.18Å; C319-E321 VanDerWaalsContact C-N 3.34Å; C319-E321 PolarHBondContact O-N 3.22Å; E321-E323 VanDerWaalsContact C-N 3.33Å; E321-E323 PolarHBondContact O-N 3.49Å; E321-K324 WeakPolarHBondContact O-CB 3.37Å; E321-K324 PolarHBondContact O-N 2.9Å; E321-K324 VanDerWaalsContact O-N 3.16Å; E321-E325 WeakPolarHBondContact O-CG 3.35Å; E321-E325 PolarHBondContact O-N 3.46Å |
| 322 | L | 92.9 | Very high | 93.5 | Very high | 101 Ų | 101 | 106.6 Ų | 106.6 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 177.1 | -73 | 172.3 | 0 | 0 | 0 | 112.5 | K318 C319 E325 R326 | K318-L322 WeakPolarHBondContact O-CB 3.27Å; K318-L322 VanDerWaalsContact O-CG 3.31Å; K318-L322 WeakPolarHBondContact O-CG 3.38Å; K318-L322 PolarHBondContact O-N 2.86Å; C319-L322 PolarHBondContact O-N 3.45Å; L322-E325 PolarHBondContact O-N 3.3Å; L322-R326 WeakPolarHBondContact O-CB 3.5Å; L322-R326 WeakPolarHBondContact O-CG 3.39Å; L322-R326 PolarHBondContact O-N 3.49Å |
| 323 | E | 92 | Very high | 93.4 | Very high | 104 Ų | 104 | 105.1 Ų | 105.1 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 173.1 | -78.5 | -179.4 | -175.6 | 0 | 0 | 110.9 | C319 N320 E321 E325 R326 Y327 | C319-E323 WeakPolarHBondContact O-CB 3.45Å; C319-E323 WeakPolarHBondContact O-CG 3.27Å; C319-E323 PolarHBondContact O-N 2.94Å; N320-E323 PolarHBondContact O-N 3.08Å; E321-E323 VanDerWaalsContact C-N 3.33Å; E321-E323 PolarHBondContact O-N 3.49Å; E323-E325 PolarHBondContact O-N 3Å; E323-R326 WeakPolarHBondContact O-CB 3.41Å; E323-R326 PolarHBondContact O-N 3.11Å; E323-Y327 HydrophobicContact CB-CE2 4.37Å; E323-Y327 WeakPolarHBondContact O-CD2 3.33Å; E323-Y327 PolarHBondContact O-N 2.89Å |
| 324 | K | 93.9 | Very high | 93.2 | Very high | 131 Ų | 131 | 105.8 Ų | 105.8 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.7 | -47 | 176.2 | -173.5 | -175.7 | 176 | -167.5 | 0 | 111.6 | N320 E321 R326 Y327 E328 | N320-K324 WeakPolarHBondContact O-CB 3.36Å; N320-K324 PolarHBondContact O-N 3.1Å; E321-K324 WeakPolarHBondContact O-CB 3.37Å; E321-K324 PolarHBondContact O-N 2.9Å; E321-K324 VanDerWaalsContact O-N 3.16Å; K324-R326 VanDerWaalsContact C-N 3.31Å; K324-R326 PolarHBondContact O-N 3.16Å; K324-Y327 PolarHBondContact O-N 3.47Å; K324-E328 WeakPolarHBondContact CE-OE1 3.47Å; K324-E328 WeakPolarHBondContact O-CG 3.28Å; K324-E328 PolarHBondContact O-N 3.4Å |
| 325 | E | 92.9 | Very high | 93.1 | Very high | 113 Ų | 113 | 104.5 Ų | 104.5 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 175.7 | -73.3 | -179.2 | 175 | 0 | 0 | 112.1 | E321 L322 E323 E328 A329 | E321-E325 WeakPolarHBondContact O-CG 3.35Å; E321-E325 PolarHBondContact O-N 3.46Å; L322-E325 PolarHBondContact O-N 3.3Å; E323-E325 PolarHBondContact O-N 3Å; E325-E328 PolarHBondContact O-N 2.91Å; E325-A329 WeakPolarHBondContact O-CB 3.48Å; E325-A329 PolarHBondContact O-N 2.95Å |
| 326 | R | 94 | Very high | 92.8 | Very high | 189 Ų | 189 | 103.1 Ų | 103.1 | 71% | 0.713 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 174.2 | -78.5 | -171.5 | 176.7 | -163.4 | 1.1 | 112 | L322 E323 K324 E328 A329 I330 | L322-R326 WeakPolarHBondContact O-CB 3.5Å; L322-R326 WeakPolarHBondContact O-CG 3.39Å; L322-R326 PolarHBondContact O-N 3.49Å; E323-R326 WeakPolarHBondContact O-CB 3.41Å; E323-R326 PolarHBondContact O-N 3.11Å; K324-R326 VanDerWaalsContact C-N 3.31Å; K324-R326 PolarHBondContact O-N 3.16Å; R326-E328 VanDerWaalsContact C-N 3.35Å; R326-A329 PolarHBondContact O-N 3.38Å; R326-I330 VanDerWaalsContact O-CG1 3.29Å; R326-I330 WeakPolarHBondContact O-CG1 3.48Å; R326-I330 PolarHBondContact O-N 2.91Å |
| 327 | Y | 92.8 | Very high | 92.6 | Very high | 157 Ų | 157 | 102.8 Ų | 102.8 | 62% | 0.616 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.8 | -45.7 | 175.1 | -78.4 | -66.3 | 0 | 0 | 0 | 111.3 | E323 K324 A329 I330 V331 | E323-Y327 HydrophobicContact CB-CE2 4.37Å; E323-Y327 WeakPolarHBondContact O-CD2 3.33Å; E323-Y327 PolarHBondContact O-N 2.89Å; K324-Y327 PolarHBondContact O-N 3.47Å; Y327-A329 VanDerWaalsContact C-N 3.33Å; Y327-A329 PolarHBondContact O-N 3.35Å; Y327-I330 PolarHBondContact O-N 3.31Å; Y327-V331 WeakPolarHBondContact O-CG2 3.47Å; Y327-V331 PolarHBondContact O-N 2.9Å |
| 328 | E | 93.6 | Very high | 92.4 | Very high | 86 Ų | 86 | 105.3 Ų | 105.3 | 40% | 0.402 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 175.6 | -72.2 | 176.1 | -172.4 | 0 | 0 | 112.2 | K324 E325 R326 V331 R332 | K324-E328 WeakPolarHBondContact CE-OE1 3.47Å; K324-E328 WeakPolarHBondContact O-CG 3.28Å; K324-E328 PolarHBondContact O-N 3.4Å; E325-E328 PolarHBondContact O-N 2.91Å; R326-E328 VanDerWaalsContact C-N 3.35Å; E328-V331 PolarHBondContact O-N 3.47Å; E328-R332 WeakPolarHBondContact O-CB 3.37Å; E328-R332 WeakPolarHBondContact O-CG 3.37Å; E328-R332 PolarHBondContact O-N 3.5Å; E328-R332 PolarHBondContact O-NE 2.94Å |
| 329 | A | 90.8 | Very high | 92.2 | Very high | 47 Ų | 47 | 105 Ų | 105 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E325 R326 Y327 R332 A333 | E325-A329 WeakPolarHBondContact O-CB 3.48Å; E325-A329 PolarHBondContact O-N 2.95Å; R326-A329 PolarHBondContact O-N 3.38Å; Y327-A329 VanDerWaalsContact C-N 3.33Å; Y327-A329 PolarHBondContact O-N 3.35Å; A329-R332 PolarHBondContact O-N 3.34Å; A329-A333 WeakPolarHBondContact O-CB 3.5Å; A329-A333 PolarHBondContact O-N 3.5Å |
| 330 | I | 91.6 | Very high | 92 | Very high | 83 Ų | 83 | 108.1 Ų | 108.1 | 43% | 0.426 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 175.3 | -69.7 | 165.5 | 0 | 0 | 0 | 110.8 | R326 Y327 A333 R334 | R326-I330 VanDerWaalsContact O-CG1 3.29Å; R326-I330 WeakPolarHBondContact O-CG1 3.48Å; R326-I330 PolarHBondContact O-N 2.91Å; Y327-I330 PolarHBondContact O-N 3.31Å; I330-A333 PolarHBondContact O-N 3.37Å; I330-R334 HydrophobicContact CG2-CG 4.48Å; I330-R334 WeakPolarHBondContact O-CB 3.31Å; I330-R334 WeakPolarHBondContact O-CG 3.44Å; I330-R334 PolarHBondContact O-N 3.47Å |
| 331 | V | 93.1 | Very high | 91.7 | Very high | 73 Ų | 73 | 109.1 Ų | 109.1 | 44% | 0.442 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 176.7 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | Y327 E328 A333 R334 N335 | Y327-V331 WeakPolarHBondContact O-CG2 3.47Å; Y327-V331 PolarHBondContact O-N 2.9Å; E328-V331 PolarHBondContact O-N 3.47Å; V331-A333 PolarHBondContact O-N 3.38Å; V331-R334 PolarHBondContact O-N 3Å; V331-N335 VanDerWaalsContact O-CG 3.26Å; V331-N335 PolarHBondContact O-N 3.3Å; V331-N335 PolarHBondContact O-OD1 3.4Å |
| 332 | R | 92.3 | Very high | 91.5 | Very high | 156 Ų | 156 | 107.2 Ų | 107.2 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.6 | -45.6 | 174.3 | -77.4 | -176.1 | -72.9 | -160.9 | -2.6 | 112 | E328 A329 R334 N335 S336 | E328-R332 WeakPolarHBondContact O-CB 3.37Å; E328-R332 WeakPolarHBondContact O-CG 3.37Å; E328-R332 PolarHBondContact O-N 3.5Å; E328-R332 PolarHBondContact O-NE 2.94Å; A329-R332 PolarHBondContact O-N 3.34Å; R332-R334 PolarHBondContact O-N 3.28Å; R332-N335 PolarHBondContact O-N 3.44Å; R332-S336 PolarHBondContact O-N 2.91Å; R332-S336 PolarHBondContact O-OG 3.18Å; R332-S336 VanDerWaalsContact O-OG 3.1Å |
| 333 | A | 91.5 | Very high | 91.2 | Very high | 60 Ų | 60 | 104.8 Ų | 104.8 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A329 I330 V331 S336 M337 | A329-A333 WeakPolarHBondContact O-CB 3.5Å; A329-A333 PolarHBondContact O-N 3.5Å; I330-A333 PolarHBondContact O-N 3.37Å; V331-A333 PolarHBondContact O-N 3.38Å; A333-S336 PolarHBondContact O-N 3.06Å; A333-M337 WeakPolarHBondContact O-CB 3.45Å; A333-M337 PolarHBondContact O-N 3.43Å |
| 334 | R | 92.3 | Very high | 91 | Very high | 162 Ų | 162 | 105.5 Ų | 105.5 | 61% | 0.611 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 174.6 | -76.4 | 178.7 | 177.7 | 172.6 | -0.1 | 112.1 | I330 V331 R332 S336 M337 Q338 | I330-R334 HydrophobicContact CG2-CG 4.48Å; I330-R334 WeakPolarHBondContact O-CB 3.31Å; I330-R334 WeakPolarHBondContact O-CG 3.44Å; I330-R334 PolarHBondContact O-N 3.47Å; V331-R334 PolarHBondContact O-N 3Å; R332-R334 PolarHBondContact O-N 3.28Å; R334-S336 VanDerWaalsContact C-N 3.35Å; R334-S336 PolarHBondContact O-N 2.86Å; R334-M337 WeakPolarHBondContact O-CB 3.47Å; R334-M337 PolarHBondContact O-N 2.97Å; R334-Q338 PolarHBondContact O-N 3.47Å |
| 335 | N | 92 | Very high | 90.8 | Very high | 87 Ų | 87 | 104.8 Ų | 104.8 | 47% | 0.465 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.8 | -67.7 | -10.2 | 0 | 0 | 0 | 111.3 | V331 R332 M337 Q338 L339 | V331-N335 VanDerWaalsContact O-CG 3.26Å; V331-N335 PolarHBondContact O-N 3.3Å; V331-N335 PolarHBondContact O-OD1 3.4Å; R332-N335 PolarHBondContact O-N 3.44Å; N335-M337 VanDerWaalsContact C-N 3.33Å; N335-M337 PolarHBondContact O-N 3.26Å; N335-Q338 PolarHBondContact O-N 3.34Å; N335-L339 WeakPolarHBondContact O-CG 3.36Å; N335-L339 PolarHBondContact O-N 3.31Å |
| 336 | S | 88.9 | Confident | 90.5 | Very high | 77 Ų | 77 | 105.9 Ų | 105.9 | 54% | 0.538 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 174.5 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | R332 A333 R334 L339 L340 | R332-S336 PolarHBondContact O-N 2.91Å; R332-S336 PolarHBondContact O-OG 3.18Å; R332-S336 VanDerWaalsContact O-OG 3.1Å; A333-S336 PolarHBondContact O-N 3.06Å; R334-S336 VanDerWaalsContact C-N 3.35Å; R334-S336 PolarHBondContact O-N 2.86Å; S336-L339 PolarHBondContact O-N 2.88Å; S336-L340 PolarHBondContact O-N 3.36Å |
| 337 | M | 91 | Very high | 90.2 | Very high | 103 Ų | 103 | 103.4 Ų | 103.4 | 51% | 0.507 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 175.6 | -173.2 | 172.8 | 73.8 | 0 | 0 | 111.4 | A333 R334 N335 L339 L340 E341 | A333-M337 WeakPolarHBondContact O-CB 3.45Å; A333-M337 PolarHBondContact O-N 3.43Å; R334-M337 WeakPolarHBondContact O-CB 3.47Å; R334-M337 PolarHBondContact O-N 2.97Å; N335-M337 VanDerWaalsContact C-N 3.33Å; N335-M337 PolarHBondContact O-N 3.26Å; M337-L339 VanDerWaalsContact C-N 3.35Å; M337-L339 PolarHBondContact O-N 2.89Å; M337-L340 CarbonylContact O-C 3.59Å; M337-L340 WeakPolarHBondContact O-CA 3.35Å; M337-L340 WeakPolarHBondContact O-CB 3.11Å; M337-L340 PolarHBondContact O-N 2.91Å; M337-L340 VanDerWaalsContact O-N 3.1Å; M337-E341 WeakPolarHBondContact O-CG 3.28Å; M337-E341 PolarHBondContact O-N 3.09Å |
| 338 | Q | 90.1 | Very high | 89.9 | Confident | 100 Ų | 100 | 98 Ų | 98 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.9 | -173.6 | -176.3 | -21.8 | 0 | 0 | 111.3 | R334 N335 L340 E341 E342 | R334-Q338 PolarHBondContact O-N 3.47Å; N335-Q338 PolarHBondContact O-N 3.34Å; Q338-L340 VanDerWaalsContact C-N 3.26Å; Q338-L340 PolarHBondContact O-N 2.83Å; Q338-E341 PolarHBondContact O-N 3Å; Q338-E342 PolarHBondContact NE2-OE1 3.43Å; Q338-E342 WeakPolarHBondContact O-CB 3.34Å; Q338-E342 WeakPolarHBondContact O-CG 3.26Å; Q338-E342 PolarHBondContact O-N 2.65Å |
| 339 | L | 89.4 | Confident | 89.6 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.2 | -37.1 | 174.1 | -72.8 | 170.1 | 0 | 0 | 0 | 112.2 | N335 S336 M337 A343 | N335-L339 WeakPolarHBondContact O-CG 3.36Å; N335-L339 PolarHBondContact O-N 3.31Å; S336-L339 PolarHBondContact O-N 2.88Å; M337-L339 VanDerWaalsContact C-N 3.35Å; M337-L339 PolarHBondContact O-N 2.89Å; L339-A343 WeakPolarHBondContact O-CB 3.41Å; L339-A343 PolarHBondContact O-N 3.49Å |
| 340 | L | 89.5 | Confident | 89.1 | Confident | 127 Ų | 127 | 100 Ų | 100 | 67% | 0.665 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.2 | -42.2 | 175.3 | -168.1 | 103.5 | 0 | 0 | 0 | 111.8 | S336 M337 Q338 A343 H344 | S336-L340 PolarHBondContact O-N 3.36Å; M337-L340 CarbonylContact O-C 3.59Å; M337-L340 WeakPolarHBondContact O-CA 3.35Å; M337-L340 WeakPolarHBondContact O-CB 3.11Å; M337-L340 PolarHBondContact O-N 2.91Å; M337-L340 VanDerWaalsContact O-N 3.1Å; Q338-L340 VanDerWaalsContact C-N 3.26Å; Q338-L340 PolarHBondContact O-N 2.83Å; L340-A343 PolarHBondContact O-N 3.35Å; L340-H344 WeakPolarHBondContact O-CB 3.44Å; L340-H344 PolarHBondContact O-N 2.9Å |
| 341 | E | 87.7 | Confident | 88.6 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | 175.1 | -73.2 | 173.1 | -175.7 | 0 | 0 | 111.1 | M337 Q338 H344 L345 | M337-E341 WeakPolarHBondContact O-CG 3.28Å; M337-E341 PolarHBondContact O-N 3.09Å; Q338-E341 PolarHBondContact O-N 3Å; E341-H344 PolarHBondContact O-N 2.92Å; E341-L345 WeakPolarHBondContact O-CB 3.37Å; E341-L345 PolarHBondContact O-N 2.91Å |
| 342 | E | 89.1 | Confident | 88.1 | Confident | 81 Ų | 81 | 102.5 Ų | 102.5 | 38% | 0.379 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 173.8 | -73.5 | 171.1 | -168.6 | 0 | 0 | 111.4 | Q338 H344 L345 Q346 | Q338-E342 PolarHBondContact NE2-OE1 3.43Å; Q338-E342 WeakPolarHBondContact O-CB 3.34Å; Q338-E342 WeakPolarHBondContact O-CG 3.26Å; Q338-E342 PolarHBondContact O-N 2.65Å; E342-H344 VanDerWaalsContact C-N 3.34Å; E342-H344 PolarHBondContact O-N 2.72Å; E342-L345 PolarHBondContact O-N 3.01Å; E342-Q346 WeakPolarHBondContact O-CG 3.44Å; E342-Q346 PolarHBondContact O-N 3.31Å |
| 343 | A | 87.6 | Confident | 87.7 | Confident | 51 Ų | 51 | 100.4 Ų | 100.4 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L339 L340 K347 | L339-A343 WeakPolarHBondContact O-CB 3.41Å; L339-A343 PolarHBondContact O-N 3.49Å; L340-A343 PolarHBondContact O-N 3.35Å; A343-K347 WeakPolarHBondContact O-CB 3.41Å; A343-K347 PolarHBondContact O-N 2.99Å |
| 344 | H | 87.3 | Confident | 87.1 | Confident | 119 Ų | 119 | 102.8 Ų | 102.8 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68 | -40 | 176.9 | -173.8 | -82.8 | 0 | 0 | 0 | 112.1 | L340 E341 E342 K347 S348 | L340-H344 WeakPolarHBondContact O-CB 3.44Å; L340-H344 PolarHBondContact O-N 2.9Å; E341-H344 PolarHBondContact O-N 2.92Å; E342-H344 VanDerWaalsContact C-N 3.34Å; E342-H344 PolarHBondContact O-N 2.72Å; H344-K347 PolarHBondContact O-N 3.42Å; H344-S348 WeakPolarHBondContact O-CB 3.4Å; H344-S348 PolarHBondContact O-N 2.97Å; H344-S348 PolarHBondContact O-OG 2.87Å |
| 345 | L | 89.3 | Confident | 86.6 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -48.2 | 173.4 | -83.4 | 157.5 | 0 | 0 | 0 | 111.1 | E341 E342 K347 S348 Q349 | E341-L345 WeakPolarHBondContact O-CB 3.37Å; E341-L345 PolarHBondContact O-N 2.91Å; E342-L345 PolarHBondContact O-N 3.01Å; L345-K347 VanDerWaalsContact C-N 3.34Å; L345-K347 PolarHBondContact O-N 3.35Å; L345-S348 PolarHBondContact O-N 3.11Å; L345-S348 VanDerWaalsContact O-N 3.14Å; L345-Q349 WeakPolarHBondContact O-CB 3.34Å; L345-Q349 PolarHBondContact O-N 3.1Å |
| 346 | Q | 87.2 | Confident | 85.9 | Confident | 136 Ų | 136 | 101.8 Ų | 101.8 | 64% | 0.636 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.2 | -44.5 | 175.6 | -73.3 | 177.2 | -1.2 | 0 | 0 | 112 | E342 S348 Q349 A350 | E342-Q346 WeakPolarHBondContact O-CG 3.44Å; E342-Q346 PolarHBondContact O-N 3.31Å; Q346-S348 VanDerWaalsContact C-N 3.34Å; Q346-S348 PolarHBondContact O-N 2.95Å; Q346-Q349 PolarHBondContact O-N 3.28Å; Q346-A350 PolarHBondContact O-N 3.23Å |
| 347 | K | 86.8 | Confident | 85.5 | Confident | 137 Ų | 137 | 104.8 Ų | 104.8 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | 174.8 | -178.1 | -174.7 | 176.4 | -175.7 | 0 | 112.1 | A343 H344 L345 Q349 A350 L351 | A343-K347 WeakPolarHBondContact O-CB 3.41Å; A343-K347 PolarHBondContact O-N 2.99Å; H344-K347 PolarHBondContact O-N 3.42Å; L345-K347 VanDerWaalsContact C-N 3.34Å; L345-K347 PolarHBondContact O-N 3.35Å; K347-Q349 VanDerWaalsContact C-N 3.34Å; K347-A350 PolarHBondContact O-N 2.97Å; K347-L351 HydrophobicContact CG-CD1 4.47Å; K347-L351 PolarHBondContact O-N 3.23Å |
| 348 | S | 85.9 | Confident | 84.8 | Confident | 44 Ų | 44 | 105.4 Ų | 105.4 | 31% | 0.308 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 179.9 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | H344 L345 Q346 L351 L352 | H344-S348 WeakPolarHBondContact O-CB 3.4Å; H344-S348 PolarHBondContact O-N 2.97Å; H344-S348 PolarHBondContact O-OG 2.87Å; L345-S348 PolarHBondContact O-N 3.11Å; L345-S348 VanDerWaalsContact O-N 3.14Å; Q346-S348 VanDerWaalsContact C-N 3.34Å; Q346-S348 PolarHBondContact O-N 2.95Å; S348-L351 PolarHBondContact O-N 3.28Å; S348-L352 PolarHBondContact O-N 3.42Å |
| 349 | Q | 87.7 | Confident | 84.2 | Confident | 121 Ų | 121 | 105.9 Ų | 105.9 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 174.8 | -167.8 | 170 | -2.1 | 0 | 0 | 111.4 | L345 Q346 K347 L351 L352 E353 | L345-Q349 WeakPolarHBondContact O-CB 3.34Å; L345-Q349 PolarHBondContact O-N 3.1Å; Q346-Q349 PolarHBondContact O-N 3.28Å; K347-Q349 VanDerWaalsContact C-N 3.34Å; Q349-L351 PolarHBondContact O-N 2.84Å; Q349-L352 PolarHBondContact O-N 3.39Å; Q349-E353 PolarHBondContact O-N 2.89Å; Q349-E353 VanDerWaalsContact O-N 3.07Å |
| 350 | A | 80.9 | Confident | 83.7 | Confident | 54 Ų | 54 | 104.1 Ų | 104.1 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q346 K347 L352 E353 E354 | Q346-A350 PolarHBondContact O-N 3.23Å; K347-A350 PolarHBondContact O-N 2.97Å; A350-L352 VanDerWaalsContact C-N 3.34Å; A350-L352 PolarHBondContact O-N 3.49Å; A350-E353 PolarHBondContact O-N 3.36Å; A350-E354 PolarHBondContact O-N 2.88Å |
| 351 | L | 81.9 | Confident | 83.1 | Confident | 84 Ų | 84 | 102.8 Ų | 102.8 | 44% | 0.44 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 175.3 | -100.5 | 161.3 | 0 | 0 | 0 | 113 | K347 S348 Q349 E354 K355 | K347-L351 HydrophobicContact CG-CD1 4.47Å; K347-L351 PolarHBondContact O-N 3.23Å; S348-L351 PolarHBondContact O-N 3.28Å; Q349-L351 PolarHBondContact O-N 2.84Å; L351-E354 PolarHBondContact O-N 2.98Å; L351-K355 PolarHBondContact O-N 3.11Å |
| 352 | L | 82.5 | Confident | 82.6 | Confident | 124 Ų | 124 | 102.6 Ų | 102.6 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.3 | -40.9 | 174.7 | -78.5 | 166.4 | 0 | 0 | 0 | 111.5 | S348 Q349 A350 E354 K355 Q356 | S348-L352 PolarHBondContact O-N 3.42Å; Q349-L352 PolarHBondContact O-N 3.39Å; A350-L352 VanDerWaalsContact C-N 3.34Å; A350-L352 PolarHBondContact O-N 3.49Å; L352-E354 VanDerWaalsContact C-N 3.32Å; L352-E354 PolarHBondContact O-N 3.14Å; L352-K355 PolarHBondContact O-N 2.91Å; L352-Q356 PolarHBondContact O-N 3.47Å |
| 353 | E | 83.3 | Confident | 82.1 | Confident | 112 Ų | 112 | 104.2 Ų | 104.2 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 173.4 | -70.8 | 178.7 | -172.2 | 0 | 0 | 112.2 | Q349 A350 Q356 K357 | Q349-E353 PolarHBondContact O-N 2.89Å; Q349-E353 VanDerWaalsContact O-N 3.07Å; A350-E353 PolarHBondContact O-N 3.36Å; E353-Q356 PolarHBondContact O-N 3.36Å; E353-K357 WeakPolarHBondContact O-CG 3.38Å; E353-K357 PolarHBondContact O-N 2.98Å; E353-K357 VanDerWaalsContact O-N 3.13Å |
| 354 | E | 78.3 | Confident | 81.4 | Confident | 109 Ų | 109 | 107.8 Ų | 107.8 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 173.7 | -174.4 | -179.5 | -166.8 | 0 | 0 | 111.5 | A350 L351 L352 Q356 K357 E358 | A350-E354 PolarHBondContact O-N 2.88Å; L351-E354 PolarHBondContact O-N 2.98Å; L352-E354 VanDerWaalsContact C-N 3.32Å; L352-E354 PolarHBondContact O-N 3.14Å; E354-Q356 VanDerWaalsContact C-N 3.32Å; E354-Q356 PolarHBondContact O-N 2.85Å; E354-K357 WeakPolarHBondContact O-CB 3.42Å; E354-K357 PolarHBondContact O-N 2.84Å; E354-K357 VanDerWaalsContact O-N 3.11Å; E354-E358 PolarHBondContact O-N 2.95Å |
| 355 | K | 81.3 | Confident | 80.7 | Confident | 135 Ų | 135 | 107.6 Ų | 107.6 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.3 | -41.5 | 175.8 | -87.7 | -165.7 | 170.6 | -169.7 | 0 | 113 | L351 L352 K357 E358 E359 | L351-K355 PolarHBondContact O-N 3.11Å; L352-K355 PolarHBondContact O-N 2.91Å; K355-K357 VanDerWaalsContact C-N 3.29Å; K355-K357 PolarHBondContact O-N 3.12Å; K355-E358 PolarHBondContact O-N 3.24Å; K355-E359 PolarHBondContact O-N 3.43Å |
| 356 | Q | 78 | Confident | 80 | Confident | 94 Ų | 94 | 107.8 Ų | 107.8 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 177 | -172.3 | 61.3 | 56.6 | 0 | 0 | 111.3 | L352 E353 E354 E359 D360 | L352-Q356 PolarHBondContact O-N 3.47Å; E353-Q356 PolarHBondContact O-N 3.36Å; E354-Q356 VanDerWaalsContact C-N 3.32Å; E354-Q356 PolarHBondContact O-N 2.85Å; Q356-E359 PolarHBondContact O-N 2.89Å; Q356-D360 VanDerWaalsContact O-CG 3.28Å; Q356-D360 PolarHBondContact O-N 3.49Å |
| 357 | K | 80.1 | Confident | 79.3 | Confident | 140 Ų | 140 | 104.3 Ų | 104.3 | 61% | 0.609 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.8 | -36.5 | 175.5 | -71.5 | -179.8 | -176 | 175.4 | 0 | 112.5 | E353 E354 K355 D360 I361 | E353-K357 WeakPolarHBondContact O-CG 3.38Å; E353-K357 PolarHBondContact O-N 2.98Å; E353-K357 VanDerWaalsContact O-N 3.13Å; E354-K357 WeakPolarHBondContact O-CB 3.42Å; E354-K357 PolarHBondContact O-N 2.84Å; E354-K357 VanDerWaalsContact O-N 3.11Å; K355-K357 VanDerWaalsContact C-N 3.29Å; K355-K357 PolarHBondContact O-N 3.12Å; K357-D360 PolarHBondContact O-N 2.98Å; K357-I361 VanDerWaalsContact O-CG1 3.32Å; K357-I361 WeakPolarHBondContact O-CG1 3.37Å; K357-I361 PolarHBondContact O-N 3.46Å |
| 358 | E | 76.8 | Confident | 78.7 | Confident | 115 Ų | 115 | 101.9 Ų | 101.9 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 173.1 | -84.3 | 179.4 | 145.5 | 0 | 0 | 112.3 | E354 K355 D360 I361 E362 | E354-E358 PolarHBondContact O-N 2.95Å; K355-E358 PolarHBondContact O-N 3.24Å; E358-D360 VanDerWaalsContact C-N 3.29Å; E358-D360 PolarHBondContact O-N 3.37Å; E358-I361 WeakPolarHBondContact O-CB 3.46Å; E358-I361 PolarHBondContact O-N 3.43Å; E358-E362 PolarHBondContact O-N 2.97Å |
| 359 | E | 77 | Confident | 78 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 174.2 | -74.6 | -177.2 | -175.6 | 0 | 0 | 112.2 | K355 Q356 E362 K363 | K355-E359 PolarHBondContact O-N 3.43Å; Q356-E359 PolarHBondContact O-N 2.89Å; E359-E362 PolarHBondContact O-N 3.26Å; E359-K363 WeakPolarHBondContact O-CG 3.37Å; E359-K363 PolarHBondContact O-N 3.11Å |
| 360 | D | 78.9 | Confident | 77.3 | Confident | 73 Ų | 73 | 104.9 Ų | 104.9 | 39% | 0.39 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.4 | -33.9 | 176.5 | -69.6 | -21.7 | 0 | 0 | 0 | 112.3 | Q356 K357 E358 K363 M364 | Q356-D360 VanDerWaalsContact O-CG 3.28Å; Q356-D360 PolarHBondContact O-N 3.49Å; K357-D360 PolarHBondContact O-N 2.98Å; E358-D360 VanDerWaalsContact C-N 3.29Å; E358-D360 PolarHBondContact O-N 3.37Å; D360-K363 IonicContact OD1-NZ 2.83Å; D360-M364 WeakPolarHBondContact O-CB 3.34Å; D360-M364 PolarHBondContact O-N 2.93Å |
| 361 | I | 77.4 | Confident | 77 | Confident | 99 Ų | 99 | 110.1 Ų | 110.1 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 170.9 | -71.5 | 166.5 | 0 | 0 | 0 | 110.9 | K357 E358 M364 K365 | K357-I361 VanDerWaalsContact O-CG1 3.32Å; K357-I361 WeakPolarHBondContact O-CG1 3.37Å; K357-I361 PolarHBondContact O-N 3.46Å; E358-I361 WeakPolarHBondContact O-CB 3.46Å; E358-I361 PolarHBondContact O-N 3.43Å; I361-M364 WeakPolarHBondContact O-CB 3.43Å; I361-M364 PolarHBondContact O-N 2.99Å; I361-K365 PolarHBondContact O-N 2.96Å |
| 362 | E | 78.4 | Confident | 76.5 | Confident | 100 Ų | 100 | 110.6 Ų | 110.6 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.2 | -40 | -179.8 | -152.9 | 63.5 | -161.3 | 0 | 0 | 111.3 | E358 E359 M364 K365 E366 | E358-E362 PolarHBondContact O-N 2.97Å; E359-E362 PolarHBondContact O-N 3.26Å; E362-M364 VanDerWaalsContact C-N 3.3Å; E362-M364 PolarHBondContact O-N 3.27Å; E362-K365 WeakPolarHBondContact O-CB 3.47Å; E362-K365 PolarHBondContact O-N 2.91Å; E362-K365 IonicContact OE1-NZ 3.86Å; E362-K365 IonicContact OE2-NZ 2.84Å; E362-K365 PolarHBondContact OE2-NZ 3.18Å; E362-E366 PolarHBondContact O-N 3.43Å; E362-E366 VanDerWaalsContact O-N 3.11Å |
| 363 | K | 77.6 | Confident | 75.8 | Confident | 116 Ų | 116 | 111.1 Ų | 111.1 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 168.7 | -73.8 | 173.5 | -169.9 | 157.3 | 0 | 112 | E359 D360 E366 T367 | E359-K363 WeakPolarHBondContact O-CG 3.37Å; E359-K363 PolarHBondContact O-N 3.11Å; D360-K363 IonicContact OD1-NZ 2.83Å; K363-E366 PolarHBondContact O-N 3.32Å; K363-T367 PolarHBondContact O-N 3.14Å; K363-T367 VanDerWaalsContact O-N 3.11Å; K363-T367 PolarHBondContact O-OG1 3.42Å |
| 364 | M | 73.9 | Confident | 74.9 | Confident | 126 Ų | 126 | 110 Ų | 110 | 62% | 0.621 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 178.3 | -158.5 | 81.6 | 70.1 | 0 | 0 | 111.4 | D360 I361 E362 T367 V368 | D360-M364 WeakPolarHBondContact O-CB 3.34Å; D360-M364 PolarHBondContact O-N 2.93Å; I361-M364 WeakPolarHBondContact O-CB 3.43Å; I361-M364 PolarHBondContact O-N 2.99Å; E362-M364 VanDerWaalsContact C-N 3.3Å; E362-M364 PolarHBondContact O-N 3.27Å; M364-T367 VanDerWaalsContact CA-OG1 3.31Å; M364-T367 WeakPolarHBondContact CA-OG1 3.31Å; M364-T367 PolarHBondContact O-N 3.03Å; M364-T367 PolarHBondContact O-OG1 3.06Å; M364-V368 WeakPolarHBondContact O-CG2 3.49Å; M364-V368 PolarHBondContact O-N 3.35Å |
| 365 | K | 72.4 | Confident | 74.3 | Confident | 114 Ų | 114 | 107.4 Ų | 107.4 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 174.2 | -78.5 | 178.6 | -170.9 | 157.1 | 0 | 111.9 | I361 E362 T367 V368 S369 | I361-K365 PolarHBondContact O-N 2.96Å; E362-K365 WeakPolarHBondContact O-CB 3.47Å; E362-K365 PolarHBondContact O-N 2.91Å; E362-K365 IonicContact OE1-NZ 3.86Å; E362-K365 IonicContact OE2-NZ 2.84Å; E362-K365 PolarHBondContact OE2-NZ 3.18Å; K365-T367 VanDerWaalsContact C-N 3.33Å; K365-T367 PolarHBondContact O-N 3.5Å; K365-V368 PolarHBondContact O-N 2.84Å; K365-V368 VanDerWaalsContact O-N 3.16Å; K365-S369 PolarHBondContact O-N 2.89Å; K365-S369 PolarHBondContact O-OG 3.37Å |
| 366 | E | 74 | Confident | 73.1 | Confident | 120 Ų | 120 | 104.7 Ų | 104.7 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.4 | -38.9 | 178.3 | -73.6 | -174.7 | 166 | 0 | 0 | 112.9 | E362 K363 S369 R370 | E362-E366 PolarHBondContact O-N 3.43Å; E362-E366 VanDerWaalsContact O-N 3.11Å; K363-E366 PolarHBondContact O-N 3.32Å; E366-S369 PolarHBondContact O-N 3.46Å; E366-R370 PolarHBondContact O-N 3.08Å |
| 367 | T | 73.3 | Confident | 72.5 | Confident | 63 Ų | 63 | 105.7 Ų | 105.7 | 39% | 0.387 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 173.7 | 30.6 | 0 | 0 | 0 | 0 | 112.8 | K363 M364 K365 R370 F371 | K363-T367 PolarHBondContact O-N 3.14Å; K363-T367 VanDerWaalsContact O-N 3.11Å; K363-T367 PolarHBondContact O-OG1 3.42Å; M364-T367 VanDerWaalsContact CA-OG1 3.31Å; M364-T367 WeakPolarHBondContact CA-OG1 3.31Å; M364-T367 PolarHBondContact O-N 3.03Å; M364-T367 PolarHBondContact O-OG1 3.06Å; K365-T367 VanDerWaalsContact C-N 3.33Å; K365-T367 PolarHBondContact O-N 3.5Å; T367-R370 PolarHBondContact O-N 3.36Å; T367-F371 PolarHBondContact O-N 3.34Å |
| 368 | V | 73.4 | Confident | 71.5 | Confident | 87 Ų | 87 | 107.4 Ų | 107.4 | 53% | 0.527 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | M364 K365 R370 F371 V372 | M364-V368 WeakPolarHBondContact O-CG2 3.49Å; M364-V368 PolarHBondContact O-N 3.35Å; K365-V368 PolarHBondContact O-N 2.84Å; K365-V368 VanDerWaalsContact O-N 3.16Å; V368-R370 VanDerWaalsContact C-N 3.34Å; V368-R370 PolarHBondContact O-N 3.25Å; V368-F371 PolarHBondContact O-N 2.91Å; V368-V372 PolarHBondContact O-N 3.44Å |
| 369 | S | 71.6 | Confident | 70.5 | Confident | 79 Ų | 79 | 106.5 Ų | 106.5 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -37.4 | 175.1 | -62 | 0 | 0 | 0 | 0 | 113.1 | K365 E366 Q373 | K365-S369 PolarHBondContact O-N 2.89Å; K365-S369 PolarHBondContact O-OG 3.37Å; E366-S369 PolarHBondContact O-N 3.46Å; S369-Q373 PolarHBondContact O-N 2.89Å |
| 370 | R | 72.7 | Confident | 69.5 | Low | 149 Ų | 149 | 109.4 Ų | 109.4 | 56% | 0.562 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.6 | -39.9 | 173.5 | -97.2 | 179 | -75.4 | 144.2 | -5.4 | 112.9 | E366 T367 V368 V372 Q373 D374 | E366-R370 PolarHBondContact O-N 3.08Å; T367-R370 PolarHBondContact O-N 3.36Å; V368-R370 VanDerWaalsContact C-N 3.34Å; V368-R370 PolarHBondContact O-N 3.25Å; R370-V372 VanDerWaalsContact C-N 3.34Å; R370-V372 PolarHBondContact O-N 2.98Å; R370-Q373 PolarHBondContact O-N 3.46Å; R370-D374 PolarHBondContact O-N 3.45Å |
| 371 | F | 73.6 | Confident | 68.3 | Low | 164 Ų | 164 | 113.7 Ų | 113.7 | 72% | 0.719 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.2 | -36.2 | -179.1 | -158.9 | -94.2 | 0 | 0 | 0 | 112.7 | T367 V368 D374 A375 | T367-F371 PolarHBondContact O-N 3.34Å; V368-F371 PolarHBondContact O-N 2.91Å; F371-D374 PolarHBondContact O-N 2.89Å; F371-A375 PolarHBondContact O-N 3.48Å |
| 372 | V | 71.8 | Confident | 67.3 | Low | 93 Ų | 93 | 116.2 Ų | 116.2 | 56% | 0.564 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.8 | -34.4 | 177 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | V368 R370 T376 | V368-V372 PolarHBondContact O-N 3.44Å; R370-V372 VanDerWaalsContact C-N 3.34Å; R370-V372 PolarHBondContact O-N 2.98Å; V372-T376 PolarHBondContact O-OG1 2.94Å |
| 373 | Q | 67.2 | Low | 66.3 | Low | 136 Ų | 136 | 117.3 Ų | 117.3 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.2 | -41.7 | 174.9 | -79 | -178.4 | -12.6 | 0 | 0 | 112.3 | S369 R370 A375 T376 | S369-Q373 PolarHBondContact O-N 2.89Å; R370-Q373 PolarHBondContact O-N 3.46Å; Q373-A375 PolarHBondContact O-N 3.41Å; Q373-T376 PolarHBondContact O-N 3.31Å |
| 374 | D | 65.8 | Low | 65 | Low | 88 Ų | 88 | 115.5 Ų | 115.5 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.1 | -32 | 179.3 | -93.2 | 1.1 | 0 | 0 | 0 | 113.7 | R370 F371 T376 I377 R378 | R370-D374 PolarHBondContact O-N 3.45Å; F371-D374 PolarHBondContact O-N 2.89Å; D374-T376 VanDerWaalsContact C-N 3.3Å; D374-T376 PolarHBondContact O-N 2.94Å; D374-I377 PolarHBondContact O-N 2.82Å; D374-R378 PolarHBondContact O-N 3.42Å |
| 375 | A | 65.1 | Low | 64.1 | Low | 55 Ų | 55 | 116.1 Ų | 116.1 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68 | -28.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F371 Q373 T379 | F371-A375 PolarHBondContact O-N 3.48Å; Q373-A375 PolarHBondContact O-N 3.41Å; A375-T379 PolarHBondContact O-OG1 3.27Å; A375-T379 VanDerWaalsContact O-OG1 3.05Å |
| 376 | T | 56.9 | Low | 63.1 | Low | 78 Ų | 78 | 116.8 Ų | 116.8 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -82 | -21.9 | -178.2 | -45.2 | 0 | 0 | 0 | 0 | 112.5 | V372 Q373 D374 T379 | V372-T376 PolarHBondContact O-OG1 2.94Å; Q373-T376 PolarHBondContact O-N 3.31Å; D374-T376 VanDerWaalsContact C-N 3.3Å; D374-T376 PolarHBondContact O-N 2.94Å; T376-T379 PolarHBondContact O-OG1 3.28Å |
| 377 | I | 64.7 | Low | 61.8 | Low | 114 Ų | 114 | 120.8 Ų | 120.8 | 59% | 0.585 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -85.3 | -32 | 179.3 | -63.8 | 171.1 | 0 | 0 | 0 | 111.5 | D374 | D374-I377 PolarHBondContact O-N 2.82Å |
| 378 | R | 59.4 | Low | 60.5 | Low | 176 Ų | 176 | 127.2 Ų | 127.2 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.4 | -36.1 | 178.4 | -69.8 | -178.1 | -161.2 | -174.1 | 5.9 | 113.4 | D374 K380 K381 | D374-R378 PolarHBondContact O-N 3.42Å; R378-K380 VanDerWaalsContact C-N 3.28Å; R378-K380 PolarHBondContact O-N 3.02Å; R378-K381 PolarHBondContact O-N 3.24Å |
| 379 | T | 55.4 | Low | 59.3 | Low | 97 Ų | 97 | 132.2 Ų | 132.2 | 60% | 0.595 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -14.3 | 179.9 | 32.9 | 0 | 0 | 0 | 0 | 114.6 | A375 T376 | A375-T379 PolarHBondContact O-OG1 3.27Å; A375-T379 VanDerWaalsContact O-OG1 3.05Å; T376-T379 PolarHBondContact O-OG1 3.28Å |
| 380 | K | 55.7 | Low | 58.1 | Low | 171 Ų | 171 | 134.5 Ų | 134.5 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -10.8 | 175.8 | -72.7 | 179.5 | 177.5 | 175.6 | 0 | 114.5 | R378 | R378-K380 VanDerWaalsContact C-N 3.28Å; R378-K380 PolarHBondContact O-N 3.02Å |
| 381 | K | 53.6 | Low | 56.4 | Low | 162 Ų | 162 | 134.8 Ų | 134.8 | 70% | 0.704 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -17.6 | -173.4 | -154.2 | 173.3 | -178.1 | 179.6 | 0 | 114.4 | R378 | R378-K381 PolarHBondContact O-N 3.24Š|
| 382 | E | 57 | Low | 55.2 | Low | 153 Ų | 153 | 134.8 Ų | 134.8 | 72% | 0.715 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -84.4 | -16.8 | 178.9 | -74.9 | 178 | 157 | 0 | 0 | 114.3 | ||
| 383 | V | 56.3 | Low | 53.9 | Low | 123 Ų | 123 | 139.2 Ų | 139.2 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -84.3 | -9.7 | -177.8 | 177.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 384 | A | 51 | Low | 52.6 | Low | 77 Ų | 77 | 140.5 Ų | 140.5 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -101 | -16.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 385 | N | 54.6 | Low | 51.5 | Low | 140 Ų | 140 | 141.2 Ų | 141.2 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -95.7 | -6.1 | -173.3 | -90.2 | -13 | 0 | 0 | 0 | 115.2 | K387 | N385-K387 VanDerWaalsContact C-N 3.34Å; N385-K387 PolarHBondContact O-N 3.05Å |
| 386 | T | 52.5 | Low | 50.1 | Low | 128 Ų | 128 | 150.3 Ų | 150.3 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 11.6 | -179.3 | 46.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 387 | K | 45.8 | Very low | 49.4 | Very low | 203 Ų | 203 | 154.7 Ų | 154.7 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 7.2 | -174.1 | -135.5 | 176 | -175.5 | 177.9 | 0 | 116.9 | N385 | N385-K387 VanDerWaalsContact C-N 3.34Å; N385-K387 PolarHBondContact O-N 3.05Å |
| 388 | K | 45.8 | Very low | 48 | Very low | 199 Ų | 199 | 154.5 Ų | 154.5 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -129.2 | 4.5 | -169.6 | -103.9 | -177.2 | -179 | -179.3 | 0 | 119.6 | ||
| 389 | Q | 49.1 | Very low | 47.1 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -116.7 | 18.8 | -171.3 | -143.6 | 172.4 | -2 | 0 | 0 | 116.8 | ||
| 390 | C | 45.4 | Very low | 46.2 | Very low | 127 Ų | 127 | 154.6 Ų | 154.6 | 86% | 0.858 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -100.2 | 6 | 173.4 | -71 | 0 | 0 | 0 | 0 | 116 | ||
| 391 | N | 38.2 | Very low | 45.2 | Very low | 154 Ų | 154 | 154.2 Ų | 154.2 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -116.3 | 5.3 | -172.1 | -79.1 | -9.1 | 0 | 0 | 0 | 117.3 | ||
| 392 | I | 48 | Very low | 44.5 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -124.2 | 54.9 | -179.8 | -48.2 | 177.2 | 0 | 0 | 0 | 111.3 | ||||
| 393 | Q | 45.1 | Very low | 43.6 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -115.9 | 4.8 | 175 | -137.4 | -177.5 | 12.9 | 0 | 0 | 114.2 | ||
| 394 | I | 39 | Very low | 43.1 | Very low | 162 Ų | 162 | 149 Ų | 149 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -125.6 | -10.7 | -163.2 | -66.9 | -176.7 | 0 | 0 | 0 | 117.2 | ||
| 395 | S | 43.3 | Very low | 42.3 | Very low | 104 Ų | 104 | 153 Ų | 153 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -117 | 7.3 | -163.2 | 23.7 | 0 | 0 | 0 | 0 | 120.6 | ||
| 396 | R | 34.6 | Very low | 41.7 | Very low | 245 Ų | 245 | 154.4 Ų | 154.4 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -132.5 | 17.9 | 177.7 | -80.5 | -170.8 | 177 | 160.7 | -1.4 | 117.4 | T398 | R396-T398 PolarHBondContact O-N 2.98Š|
| 397 | L | 43.4 | Very low | 41.3 | Very low | 170 Ų | 170 | 154.9 Ų | 154.9 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -72.3 | -6.6 | 171.5 | -119.9 | 175 | 0 | 0 | 0 | 114.6 | ||
| 398 | T | 34.4 | Very low | 40.9 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -108.2 | -28.7 | -159.3 | -49.4 | 0 | 0 | 0 | 0 | 114.6 | R396 | R396-T398 PolarHBondContact O-N 2.98Š|
| 399 | E | 40.9 | Very low | 40.3 | Very low | 152 Ų | 152 | 145.8 Ų | 145.8 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -144.7 | 100 | -162.9 | -63.2 | 175.1 | 175.1 | 0 | 0 | 111.2 | ||
| 400 | E | 36.7 | Very low | 39.8 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 58% | 0.575 | 78% | 0.776 | S | S | * | * | cis | 167.1 | 128.7 | 31.4 | -115.5 | 153.1 | -146.5 | 0 | 0 | 103 | S402 | E400-S402 WeakPolarHBondContact CB-OG 3.42Å; E400-S402 WeakPolarHBondContact CG-OG 3.49Å; E400-S402 PolarHBondContact O-N 3.47Å; E400-S402 PolarHBondContact OE2-OG 2.91Å | ||
| 401 | L | 35.5 | Very low | 39.8 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | S | Bend | 49.4 | -5.3 | 54.4 | -103.9 | 171.7 | 0 | 0 | 0 | 116.8 | |||
| 402 | S | 38.5 | Very low | 39.4 | Very low | 79 Ų | 79 | 147.8 Ų | 147.8 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | trans | -126.4 | 25.4 | -179.4 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | E400 | E400-S402 WeakPolarHBondContact CB-OG 3.42Å; E400-S402 WeakPolarHBondContact CG-OG 3.49Å; E400-S402 PolarHBondContact O-N 3.47Å; E400-S402 PolarHBondContact OE2-OG 2.91Å | ||
| 403 | A | 38.7 | Very low | 38.9 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | -137.7 | 32.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q405 | A403-Q405 PolarHBondContact O-N 3.27Š| ||
| 404 | L | 45.2 | Very low | 38.4 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -69.5 | 54.6 | 151 | -106.8 | 170.2 | 0 | 0 | 0 | 110.1 | ||||
| 405 | Q | 33.6 | Very low | 38.7 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | -158.6 | 38.9 | 177.4 | -143.4 | 163 | -10.6 | 0 | 0 | 113.4 | A403 | A403-Q405 PolarHBondContact O-N 3.27Š| ||
| 406 | M | 42.7 | Very low | 38.3 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 84% | 0.837 | 76% | 0.755 | S | S | * | * | trans | -153.8 | 68.2 | 151.8 | -83.4 | -58.4 | -66.8 | 0 | 0 | 105.5 | ||||
| 407 | E | 44.4 | Very low | 38.4 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | 68.3 | 113.7 | 64 | -157.9 | 176.2 | 178.8 | 0 | 0 | 111.7 | |||||
| 408 | C | 37.5 | Very low | 38.7 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 65.1 | 50.8 | 140.4 | -61.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 409 | A | 31.6 | Very low | 38.6 | Very low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -166.9 | 113.9 | 131.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||
| 410 | E | 38.4 | Very low | 38.3 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | cis | -172.8 | 101.6 | 29.1 | -162 | 167.8 | -167.9 | 0 | 0 | 108.4 | Q412 | E410-Q412 VanDerWaalsContact C-N 3.34Å; E410-Q412 HydrophobicContact CG-CB 3.83Å; E410-Q412 PolarHBondContact O-N 2.91Å; E410-Q412 VanDerWaalsContact O-N 3.17Å | ||
| 411 | K | 45.5 | Very low | 38.2 | Very low | 207 Ų | 207 | 144.6 Ų | 144.6 | 90% | 0.9 | 76% | 0.758 | S | S | * | * | trans | -63.5 | 95.6 | 147.9 | -74.1 | -105 | -171.8 | 172.8 | 0 | 107.6 | ||||
| 412 | Q | 30.6 | Very low | 38 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | trans | -157.7 | 17.1 | 164.7 | -157.7 | 56.4 | 10.9 | 0 | 0 | 114.4 | E410 | E410-Q412 VanDerWaalsContact C-N 3.34Å; E410-Q412 HydrophobicContact CG-CB 3.83Å; E410-Q412 PolarHBondContact O-N 2.91Å; E410-Q412 VanDerWaalsContact O-N 3.17Å | ||
| 413 | G | 38.2 | Very low | 37.7 | Very low | 71 Ų | 71 | 149.9 Ų | 149.9 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -124.3 | 20.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 414 | Q | 33.8 | Very low | 38 | Very low | 141 Ų | 141 | 150 Ų | 150 | 66% | 0.659 | 77% | 0.765 | S | S | * | * | trans | 67.2 | 113.1 | 143 | -58.2 | 158.4 | 8.8 | 0 | 0 | 116.6 | E416 | Q414-E416 VanDerWaalsContact C-N 3.3Å; Q414-E416 HydrophobicContact CB-CB 4.43Å | ||
| 415 | I | 44.8 | Very low | 37.2 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | S | Bend | cis | 57.1 | -19.7 | 36.4 | -68.7 | -175.7 | 0 | 0 | 0 | 117.9 | ||
| 416 | E | 35.9 | Very low | 37.5 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | -128.2 | 56.1 | -171.6 | -68.3 | -172.1 | 164.4 | 0 | 0 | 116.4 | Q414 | Q414-E416 VanDerWaalsContact C-N 3.3Å; Q414-E416 HydrophobicContact CB-CB 4.43Å | ||
| 417 | R | 35.2 | Very low | 37.4 | Very low | 225 Ų | 225 | 147 Ų | 147 | 85% | 0.849 | 75% | 0.752 | S | S | * | * | trans | -159.8 | 29.1 | 151.5 | -115.3 | 177.6 | -56.3 | 167.6 | 6.7 | 120 | I419 | R417-I419 PolarHBondContact O-N 3.29Š| ||
| 418 | V | 50.3 | Low | 37 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -59 | -7.5 | 156.8 | 158.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 419 | I | 33.6 | Very low | 36.8 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 62% | 0.621 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -133.1 | 112.6 | -164.4 | -59.9 | -175 | 0 | 0 | 0 | 109.5 | R417 | R417-I419 PolarHBondContact O-N 3.29Š|
| 420 | K | 33.3 | Very low | 37.2 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 70% | 0.7 | 75% | 0.749 | S | S | * | * | trans | 100.4 | 119.8 | 152.5 | -74.7 | 169.3 | 177.6 | -165.3 | 0 | 119.8 | ||||
| 421 | E | 35.9 | Very low | 37.2 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | trans | 81.4 | 71.4 | 131.1 | -66 | 160.4 | -158.3 | 0 | 0 | 117.1 | ||||
| 422 | K | 29.5 | Very low | 36.6 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -138 | -67.4 | 143.7 | -154 | 167.2 | 174.7 | 177 | 0 | 116.6 | ||
| 423 | K | 33.6 | Very low | 36.7 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -157.2 | 63.4 | -160.9 | -80.6 | 174.4 | -176.8 | -162.7 | 0 | 115.3 | ||
| 424 | A | 44 | Very low | 36.7 | Very low | 94 Ų | 94 | 155.3 Ų | 155.3 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | S | Bend | -76.8 | 149.6 | 99.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||
| 425 | V | 29.9 | Very low | 36.6 | Very low | 106 Ų | 106 | 157.6 Ų | 157.6 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | trans | 87.7 | 137.4 | -177.8 | -163.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 426 | E | 38 | Very low | 36 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | 75 | 71.6 | -162.5 | -57 | 178.9 | -175.2 | 0 | 0 | 112.3 | ||||
| 427 | E | 41.1 | Very low | 36.3 | Very low | 143 Ų | 143 | 158 Ų | 158 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | cis | 53.2 | 134.2 | 44.9 | -121.1 | 169.7 | -162.7 | 0 | 0 | 108.6 | ||||
| 428 | E | 36.6 | Very low | 36.7 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 61% | 0.607 | 74% | 0.744 | S | S | * | * | trans | 66.1 | 58.3 | 152.4 | -56.1 | -54 | 130.4 | 0 | 0 | 115.3 | ||||
| 429 | L | 33.3 | Very low | 36.9 | Very low | 142 Ų | 142 | 151 Ų | 151 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | -134 | 62.4 | 124.1 | -70.9 | -178.6 | 0 | 0 | 0 | 109.8 | K431 | L429-K431 HydrophobicContact CB-CB 4.47Å; L429-K431 HydrophobicContact CD2-CB 3.4Å; L429-K431 HydrophobicContact CG-CB 4.46Å; L429-K431 PolarHBondContact O-N 2.95Å | |||
| 430 | E | 39.9 | Very low | 37.9 | Very low | 172 Ų | 172 | 152.6 Ų | 152.6 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | -51.7 | 64.1 | 112.9 | -173.9 | 172.4 | -161.3 | 0 | 0 | 108.7 | |||||
| 431 | K | 38.5 | Very low | 39.2 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 61% | 0.613 | 74% | 0.744 | S | S | * | * | trans | -173.9 | 74.7 | 165.1 | -91.9 | -140.2 | 175.6 | 145.7 | 0 | 106 | L429 | L429-K431 HydrophobicContact CB-CB 4.47Å; L429-K431 HydrophobicContact CD2-CB 3.4Å; L429-K431 HydrophobicContact CG-CB 4.46Å; L429-K431 PolarHBondContact O-N 2.95Å | ||
| 432 | I | 33.3 | Very low | 40.3 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 54% | 0.544 | 74% | 0.739 | S | S | . | * | 121.8 | 130.6 | 66.2 | -107.2 | 167 | 0 | 0 | 0 | 99.7 | |||||
| 433 | Y | 32.8 | Very low | 41.8 | Very low | 198 Ų | 198 | 148.3 Ų | 148.3 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 42.4 | 106.4 | 143.3 | -59.1 | -122.4 | 0 | 0 | 0 | 114.6 | ||||
| 434 | R | 37.2 | Very low | 43.8 | Very low | 220 Ų | 220 | 148.2 Ų | 148.2 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | -168.9 | 110.7 | 111.7 | -102.9 | 171.6 | -90.4 | -166.7 | -1 | 108.2 | |||||
| 435 | E | 32.9 | Very low | 45.3 | Very low | 189 Ų | 189 | 150.9 Ų | 150.9 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | 78.2 | 128.4 | 150.9 | -57.7 | 157.9 | -162.3 | 0 | 0 | 118.1 | ||||
| 436 | G | 32.1 | Very low | 47.3 | Very low | 71 Ų | 71 | 151.7 Ų | 151.7 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | trans | 130.7 | 83.3 | 132.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 437 | R | 41.4 | Very low | 49.2 | Very low | 254 Ų | 254 | 148.9 Ų | 148.9 | 96% | 0.958 | 71% | 0.71 | S | S | * | * | trans | 77.4 | 103.4 | 141.9 | -56.1 | -172.5 | -152.7 | -117 | 2.9 | 120.7 | ||||
| 438 | G | 43.9 | Very low | 51.2 | Low | 67 Ų | 67 | 147.3 Ų | 147.3 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | 78.2 | 117.6 | 127.9 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 439 | N | 53.5 | Low | 53.2 | Low | 156 Ų | 156 | 147 Ų | 147 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | -177.3 | 131.3 | 136.2 | -89.3 | -13.8 | 0 | 0 | 0 | 116.6 | N441 | N439-N441 PolarHBondContact O-N 3.36Š| ||
| 440 | E | 55.8 | Low | 55.6 | Low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 60.1 | -39.3 | 145.2 | -126.4 | 159.7 | -161.5 | 0 | 0 | 124.1 | ||
| 441 | N | 60.3 | Low | 57.8 | Low | 120 Ų | 120 | 141.6 Ų | 141.6 | 64% | 0.642 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -80.3 | -23.8 | -175.7 | -99.7 | -20.9 | 0 | 0 | 0 | 114.5 | N439 | N439-N441 PolarHBondContact O-N 3.36Å |
| 442 | D | 58.9 | Low | 60.1 | Low | 130 Ų | 130 | 143.4 Ų | 143.4 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -78.5 | -24.5 | 175.5 | -66.5 | -38.9 | 0 | 0 | 0 | 112.5 | L446 | D442-L446 WeakPolarHBondContact O-CB 3.49Å; D442-L446 PolarHBondContact O-N 3.09Å; D442-L446 VanDerWaalsContact O-N 3.14Å |
| 443 | Y | 61 | Low | 62.6 | Low | 171 Ų | 171 | 144 Ų | 144 | 67% | 0.671 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.2 | -42.4 | 175.6 | -89.4 | -86.5 | 0 | 0 | 0 | 111.9 | K445 L446 E447 | Y443-K445 PolarHBondContact O-N 2.96Å; Y443-L446 PolarHBondContact O-N 3.05Å; Y443-E447 WeakPolarHBondContact O-CB 3.41Å; Y443-E447 PolarHBondContact O-N 2.95Å |
| 444 | R | 74.9 | Confident | 65.3 | Low | 171 Ų | 171 | 137.1 Ų | 137.1 | 65% | 0.645 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.3 | -40 | -178.7 | -163.4 | -176.7 | -59.9 | 168.4 | 3.6 | 113.2 | E447 E448 | R444-E447 PolarHBondContact O-N 3.25Å; R444-E448 PolarHBondContact O-N 2.92Å; R444-E448 VanDerWaalsContact O-N 3.08Å |
| 445 | K | 75.3 | Confident | 67.8 | Low | 150 Ų | 150 | 130.9 Ų | 130.9 | 65% | 0.652 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.2 | -37 | 175.1 | -80.5 | -178.5 | 178.8 | 174.2 | 0 | 112.3 | Y443 M449 | Y443-K445 PolarHBondContact O-N 2.96Å; K445-M449 WeakPolarHBondContact O-CG 3.45Å; K445-M449 PolarHBondContact O-N 2.85Å; K445-M449 VanDerWaalsContact O-N 3.12Å |
| 446 | L | 72.9 | Confident | 70.4 | Confident | 122 Ų | 122 | 125.2 Ų | 125.2 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.2 | -40.5 | 175 | -171.3 | 65.4 | 0 | 0 | 0 | 111.3 | D442 Y443 M449 H450 | D442-L446 WeakPolarHBondContact O-CB 3.49Å; D442-L446 PolarHBondContact O-N 3.09Å; D442-L446 VanDerWaalsContact O-N 3.14Å; Y443-L446 PolarHBondContact O-N 3.05Å; L446-M449 PolarHBondContact O-N 3.4Å; L446-H450 WeakPolarHBondContact O-CB 3.49Å; L446-H450 PolarHBondContact O-N 3.49Å |
| 447 | E | 77.9 | Confident | 72.9 | Confident | 119 Ų | 119 | 124.6 Ų | 124.6 | 56% | 0.556 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.4 | -44.9 | 176.3 | -156.1 | 89.4 | -145.3 | 0 | 0 | 112.2 | Y443 R444 H450 Q451 | Y443-E447 WeakPolarHBondContact O-CB 3.41Å; Y443-E447 PolarHBondContact O-N 2.95Å; R444-E447 PolarHBondContact O-N 3.25Å; E447-H450 PolarHBondContact O-N 3.32Å; E447-Q451 PolarHBondContact O-N 3.47Å |
| 448 | E | 82.9 | Confident | 75.2 | Confident | 109 Ų | 109 | 120.8 Ų | 120.8 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.9 | -40.7 | 176.8 | -76.4 | 177.4 | -170.6 | 0 | 0 | 112.6 | R444 H450 Q451 R452 | R444-E448 PolarHBondContact O-N 2.92Å; R444-E448 VanDerWaalsContact O-N 3.08Å; E448-H450 VanDerWaalsContact C-N 3.34Å; E448-Q451 PolarHBondContact O-N 2.87Å; E448-R452 WeakPolarHBondContact O-CG 3.27Å; E448-R452 PolarHBondContact O-N 2.72Å |
| 449 | M | 79.4 | Confident | 77.4 | Confident | 125 Ų | 125 | 120.3 Ų | 120.3 | 62% | 0.616 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 174.5 | -74.2 | -68.6 | -80.1 | 0 | 0 | 111.3 | K445 L446 R452 F453 | K445-M449 WeakPolarHBondContact O-CG 3.45Å; K445-M449 PolarHBondContact O-N 2.85Å; K445-M449 VanDerWaalsContact O-N 3.12Å; L446-M449 PolarHBondContact O-N 3.4Å; M449-R452 PolarHBondContact O-N 2.88Å; M449-F453 WeakPolarHBondContact O-CB 3.31Å; M449-F453 PolarHBondContact O-N 2.68Å |
| 450 | H | 82.3 | Confident | 79.3 | Confident | 99 Ų | 99 | 118.1 Ų | 118.1 | 46% | 0.458 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.7 | -42 | 174.8 | -168.7 | 60.9 | 0 | 0 | 0 | 111.7 | L446 E447 E448 F453 L454 | L446-H450 WeakPolarHBondContact O-CB 3.49Å; L446-H450 PolarHBondContact O-N 3.49Å; E447-H450 PolarHBondContact O-N 3.32Å; E448-H450 VanDerWaalsContact C-N 3.34Å; H450-F453 WeakPolarHBondContact O-CB 3.39Å; H450-F453 PolarHBondContact O-N 3.14Å; H450-L454 VanDerWaalsContact O-CG 3.31Å; H450-L454 WeakPolarHBondContact O-CG 3.48Å; H450-L454 PolarHBondContact O-N 3.35Å |
| 451 | Q | 86.6 | Confident | 81 | Confident | 100 Ų | 100 | 114.6 Ų | 114.6 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175.6 | -80.1 | -63.9 | -8.2 | 0 | 0 | 113.2 | E447 E448 F453 L454 V455 | E447-Q451 PolarHBondContact O-N 3.47Å; E448-Q451 PolarHBondContact O-N 2.87Å; Q451-F453 VanDerWaalsContact C-N 3.31Å; Q451-F453 PolarHBondContact O-N 3.25Å; Q451-L454 PolarHBondContact O-N 3.4Å; Q451-V455 WeakPolarHBondContact O-CG2 3.46Å; Q451-V455 PolarHBondContact O-N 3.38Å |
| 452 | R | 86.8 | Confident | 82.6 | Confident | 179 Ų | 179 | 112.1 Ų | 112.1 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.4 | -40 | 173.5 | -73.1 | -179.6 | -176.3 | 179 | 3.7 | 111.9 | E448 M449 V455 S456 | E448-R452 WeakPolarHBondContact O-CG 3.27Å; E448-R452 PolarHBondContact O-N 2.72Å; M449-R452 PolarHBondContact O-N 2.88Å; R452-V455 PolarHBondContact O-N 3.48Å; R452-S456 WeakPolarHBondContact O-CB 3.33Å; R452-S456 PolarHBondContact O-N 3.45Å |
| 453 | F | 86.6 | Confident | 84.2 | Confident | 119 Ų | 119 | 111 Ų | 111 | 52% | 0.522 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 173.7 | 175.3 | -97.1 | 0 | 0 | 0 | 111.2 | M449 H450 Q451 V455 S456 E457 | M449-F453 WeakPolarHBondContact O-CB 3.31Å; M449-F453 PolarHBondContact O-N 2.68Å; H450-F453 WeakPolarHBondContact O-CB 3.39Å; H450-F453 PolarHBondContact O-N 3.14Å; Q451-F453 VanDerWaalsContact C-N 3.31Å; Q451-F453 PolarHBondContact O-N 3.25Å; F453-V455 PolarHBondContact O-N 2.94Å; F453-S456 PolarHBondContact O-N 2.87Å; F453-E457 WeakPolarHBondContact O-CB 3.39Å; F453-E457 PolarHBondContact O-N 3.44Å |
| 454 | L | 88.8 | Confident | 85.7 | Confident | 53 Ų | 53 | 107.8 Ų | 107.8 | 28% | 0.277 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 177.7 | -70.7 | 173.1 | 0 | 0 | 0 | 112.9 | H450 Q451 E457 R458 | H450-L454 VanDerWaalsContact O-CG 3.31Å; H450-L454 WeakPolarHBondContact O-CG 3.48Å; H450-L454 PolarHBondContact O-N 3.35Å; Q451-L454 PolarHBondContact O-N 3.4Å; L454-E457 PolarHBondContact O-N 3.29Å; L454-R458 VanDerWaalsContact O-CG 3.32Å; L454-R458 WeakPolarHBondContact O-CG 3.31Å; L454-R458 PolarHBondContact O-N 3.03Å |
| 455 | V | 90.4 | Very high | 86.6 | Confident | 90 Ų | 90 | 104 Ų | 104 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | Q451 R452 F453 R458 S459 | Q451-V455 WeakPolarHBondContact O-CG2 3.46Å; Q451-V455 PolarHBondContact O-N 3.38Å; R452-V455 PolarHBondContact O-N 3.48Å; F453-V455 PolarHBondContact O-N 2.94Å; V455-R458 PolarHBondContact O-N 2.93Å; V455-S459 PolarHBondContact O-N 2.88Å |
| 456 | S | 87 | Confident | 87.5 | Confident | 69 Ų | 69 | 104 Ų | 104 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.7 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | R452 F453 S459 K460 | R452-S456 WeakPolarHBondContact O-CB 3.33Å; R452-S456 PolarHBondContact O-N 3.45Å; F453-S456 PolarHBondContact O-N 2.87Å; S456-S459 PolarHBondContact O-N 3.27Å; S456-S459 PolarHBondContact O-OG 2.89Å; S456-K460 WeakPolarHBondContact O-CB 3.4Å; S456-K460 PolarHBondContact O-N 2.9Å |
| 457 | E | 84.1 | Confident | 88.4 | Confident | 59 Ų | 59 | 102.1 Ų | 102.1 | 28% | 0.276 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 179.3 | -160.4 | 64.7 | -166.3 | 0 | 0 | 111 | F453 L454 S459 K460 D461 | F453-E457 WeakPolarHBondContact O-CB 3.39Å; F453-E457 PolarHBondContact O-N 3.44Å; L454-E457 PolarHBondContact O-N 3.29Å; E457-S459 VanDerWaalsContact C-N 3.31Å; E457-S459 PolarHBondContact O-N 3.31Å; E457-K460 WeakPolarHBondContact O-CB 3.42Å; E457-K460 PolarHBondContact O-N 3.04Å; E457-K460 IonicContact OE1-NZ 2.82Å; E457-K460 PolarHBondContact OE1-NZ 3.16Å; E457-K460 IonicContact OE2-NZ 3.71Å; E457-D461 PolarHBondContact O-N 3.25Å |
| 458 | R | 90 | Very high | 89.2 | Confident | 173 Ų | 173 | 99 Ų | 99 | 65% | 0.653 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.1 | -39.4 | 172.3 | -71.3 | 175.8 | -170.7 | -179.5 | 4.4 | 112.7 | L454 V455 D461 D462 | L454-R458 VanDerWaalsContact O-CG 3.32Å; L454-R458 WeakPolarHBondContact O-CG 3.31Å; L454-R458 PolarHBondContact O-N 3.03Å; V455-R458 PolarHBondContact O-N 2.93Å; R458-D461 PolarHBondContact O-N 3.47Å; R458-D462 WeakPolarHBondContact O-CB 3.45Å; R458-D462 PolarHBondContact O-N 2.88Å |
| 459 | S | 91 | Very high | 89.8 | Confident | 58 Ų | 58 | 101.8 Ų | 101.8 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.3 | -36.5 | 177.7 | 76.7 | 0 | 0 | 0 | 0 | 112.3 | V455 S456 E457 D462 L463 | V455-S459 PolarHBondContact O-N 2.88Å; S456-S459 PolarHBondContact O-N 3.27Å; S456-S459 PolarHBondContact O-OG 2.89Å; E457-S459 VanDerWaalsContact C-N 3.31Å; E457-S459 PolarHBondContact O-N 3.31Å; S459-D462 PolarHBondContact O-N 3.37Å; S459-L463 WeakPolarHBondContact O-CB 3.34Å; S459-L463 VanDerWaalsContact O-CG 3.31Å; S459-L463 WeakPolarHBondContact O-CG 3.47Å; S459-L463 PolarHBondContact O-N 3.26Å |
| 460 | K | 92.4 | Very high | 90.4 | Very high | 109 Ų | 109 | 98.2 Ų | 98.2 | 47% | 0.474 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 173.7 | 172.1 | -170.1 | 158.8 | -155.2 | 0 | 110.7 | S456 E457 D462 L463 Q464 | S456-K460 WeakPolarHBondContact O-CB 3.4Å; S456-K460 PolarHBondContact O-N 2.9Å; E457-K460 WeakPolarHBondContact O-CB 3.42Å; E457-K460 PolarHBondContact O-N 3.04Å; E457-K460 IonicContact OE1-NZ 2.82Å; E457-K460 PolarHBondContact OE1-NZ 3.16Å; E457-K460 IonicContact OE2-NZ 3.71Å; K460-D462 VanDerWaalsContact C-N 3.34Å; K460-D462 PolarHBondContact O-N 2.9Å; K460-L463 PolarHBondContact O-N 2.88Å; K460-Q464 WeakPolarHBondContact O-CB 3.42Å; K460-Q464 PolarHBondContact O-N 3Å |
| 461 | D | 92.4 | Very high | 90.9 | Very high | 82 Ų | 82 | 97.5 Ų | 97.5 | 44% | 0.439 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.1 | -70.3 | -20.9 | 0 | 0 | 0 | 111.6 | E457 R458 Q464 I465 | E457-D461 PolarHBondContact O-N 3.25Å; R458-D461 PolarHBondContact O-N 3.47Å; D461-Q464 WeakPolarHBondContact O-CB 3.33Å; D461-Q464 PolarHBondContact O-N 2.82Å; D461-I465 VanDerWaalsContact O-CG1 3.31Å; D461-I465 WeakPolarHBondContact O-CG1 3.3Å; D461-I465 PolarHBondContact O-N 3.29Å |
| 462 | D | 92.9 | Very high | 91.3 | Very high | 68 Ų | 68 | 97.4 Ų | 97.4 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.2 | -175.3 | 69.4 | 0 | 0 | 0 | 112.2 | R458 S459 K460 Q464 I465 R466 | R458-D462 WeakPolarHBondContact O-CB 3.45Å; R458-D462 PolarHBondContact O-N 2.88Å; S459-D462 PolarHBondContact O-N 3.37Å; K460-D462 VanDerWaalsContact C-N 3.34Å; K460-D462 PolarHBondContact O-N 2.9Å; D462-Q464 VanDerWaalsContact C-N 3.33Å; D462-Q464 PolarHBondContact O-N 3.33Å; D462-I465 PolarHBondContact O-N 2.73Å; D462-R466 WeakPolarHBondContact O-CG 3.45Å; D462-R466 PolarHBondContact O-N 3.02Å; D462-R466 IonicContact OD2-CZ 3.73Å; D462-R466 IonicContact OD2-NE 3.62Å; D462-R466 PolarHBondContact OD2-NE 3.08Å; D462-R466 IonicContact OD2-NH2 2.84Å; D462-R466 PolarHBondContact OD2-NH2 2.82Å |
| 463 | L | 92.4 | Very high | 91.8 | Very high | 105 Ų | 105 | 95.3 Ų | 95.3 | 55% | 0.55 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 172.4 | -72.9 | 175.6 | 0 | 0 | 0 | 112 | S459 K460 I465 R466 L467 | S459-L463 WeakPolarHBondContact O-CB 3.34Å; S459-L463 VanDerWaalsContact O-CG 3.31Å; S459-L463 WeakPolarHBondContact O-CG 3.47Å; S459-L463 PolarHBondContact O-N 3.26Å; K460-L463 PolarHBondContact O-N 2.88Å; L463-I465 VanDerWaalsContact C-N 3.34Å; L463-I465 PolarHBondContact O-N 2.87Å; L463-R466 PolarHBondContact O-N 2.95Å; L463-L467 WeakPolarHBondContact O-CB 3.32Å; L463-L467 PolarHBondContact O-N 3.41Å |
| 464 | Q | 93.3 | Very high | 92.1 | Very high | 105 Ų | 105 | 94.1 Ų | 94.1 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.5 | -166.2 | 69.8 | 23.7 | 0 | 0 | 111.3 | K460 D461 D462 L467 T468 | K460-Q464 WeakPolarHBondContact O-CB 3.42Å; K460-Q464 PolarHBondContact O-N 3Å; D461-Q464 WeakPolarHBondContact O-CB 3.33Å; D461-Q464 PolarHBondContact O-N 2.82Å; D462-Q464 VanDerWaalsContact C-N 3.33Å; D462-Q464 PolarHBondContact O-N 3.33Å; Q464-L467 PolarHBondContact O-N 3.44Å; Q464-T468 WeakPolarHBondContact O-CG2 3.49Å; Q464-T468 PolarHBondContact O-N 3.46Å; Q464-T468 PolarHBondContact O-OG1 3.37Å |
| 465 | I | 94.1 | Very high | 92.5 | Very high | 91 Ų | 91 | 97 Ų | 97 | 47% | 0.467 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 174.7 | -67.6 | 165.2 | 0 | 0 | 0 | 110.9 | D461 D462 L463 T468 R469 | D461-I465 VanDerWaalsContact O-CG1 3.31Å; D461-I465 WeakPolarHBondContact O-CG1 3.3Å; D461-I465 PolarHBondContact O-N 3.29Å; D462-I465 PolarHBondContact O-N 2.73Å; L463-I465 VanDerWaalsContact C-N 3.34Å; L463-I465 PolarHBondContact O-N 2.87Å; I465-T468 WeakPolarHBondContact CA-OG1 3.34Å; I465-T468 PolarHBondContact O-OG1 2.93Å; I465-R469 WeakPolarHBondContact O-CB 3.46Å; I465-R469 PolarHBondContact O-N 2.94Å |
| 466 | R | 94 | Very high | 92.7 | Very high | 149 Ų | 149 | 97 Ų | 97 | 56% | 0.562 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 175.7 | -67.9 | -176.8 | -144.9 | -160 | 10.4 | 112.1 | D462 L463 R469 A470 | D462-R466 WeakPolarHBondContact O-CG 3.45Å; D462-R466 PolarHBondContact O-N 3.02Å; D462-R466 IonicContact OD2-CZ 3.73Å; D462-R466 IonicContact OD2-NE 3.62Å; D462-R466 PolarHBondContact OD2-NE 3.08Å; D462-R466 IonicContact OD2-NH2 2.84Å; D462-R466 PolarHBondContact OD2-NH2 2.82Å; L463-R466 PolarHBondContact O-N 2.95Å; R466-R469 PolarHBondContact O-N 3.49Å; R466-A470 WeakPolarHBondContact O-CB 3.08Å; R466-A470 PolarHBondContact O-N 3.21Å |
| 467 | L | 91.8 | Very high | 93.1 | Very high | 83 Ų | 83 | 97.8 Ų | 97.8 | 44% | 0.435 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -52.6 | 176.3 | 178.8 | 63.4 | 0 | 0 | 0 | 110.5 | L463 Q464 R469 A470 E471 | L463-L467 WeakPolarHBondContact O-CB 3.32Å; L463-L467 PolarHBondContact O-N 3.41Å; Q464-L467 PolarHBondContact O-N 3.44Å; L467-R469 VanDerWaalsContact C-N 3.27Å; L467-R469 PolarHBondContact O-N 3.18Å; L467-A470 PolarHBondContact O-N 2.95Å; L467-E471 HydrophobicContact CD1-CG 4.26Å; L467-E471 HydrophobicContact CG-CG 4.39Å; L467-E471 WeakPolarHBondContact O-CB 3.43Å; L467-E471 WeakPolarHBondContact O-CG 3.41Å; L467-E471 PolarHBondContact O-N 3.04Å |
| 468 | T | 94.1 | Very high | 93.6 | Very high | 53 Ų | 53 | 100.3 Ų | 100.3 | 33% | 0.325 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 177.5 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | Q464 I465 N472 | Q464-T468 WeakPolarHBondContact O-CG2 3.49Å; Q464-T468 PolarHBondContact O-N 3.46Å; Q464-T468 PolarHBondContact O-OG1 3.37Å; I465-T468 WeakPolarHBondContact CA-OG1 3.34Å; I465-T468 PolarHBondContact O-OG1 2.93Å; T468-N472 WeakPolarHBondContact O-CB 3.41Å; T468-N472 PolarHBondContact O-N 2.92Å; T468-N472 PolarHBondContact O-ND2 3.26Å |
| 469 | R | 95.3 | Very high | 93.8 | Very high | 168 Ų | 168 | 95.9 Ų | 95.9 | 63% | 0.634 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | 172.8 | -174.2 | -178.7 | -67.1 | 143.1 | 1.4 | 112.4 | I465 R466 L467 R473 | I465-R469 WeakPolarHBondContact O-CB 3.46Å; I465-R469 PolarHBondContact O-N 2.94Å; R466-R469 PolarHBondContact O-N 3.49Å; L467-R469 VanDerWaalsContact C-N 3.27Å; L467-R469 PolarHBondContact O-N 3.18Å; R469-R473 WeakPolarHBondContact O-CB 3.34Å; R469-R473 PolarHBondContact O-N 3.02Å |
| 470 | A | 92.4 | Very high | 94.1 | Very high | 50 Ų | 50 | 96 Ų | 96 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R466 L467 N472 R473 I474 | R466-A470 WeakPolarHBondContact O-CB 3.08Å; R466-A470 PolarHBondContact O-N 3.21Å; L467-A470 PolarHBondContact O-N 2.95Å; A470-N472 PolarHBondContact O-N 3.26Å; A470-R473 PolarHBondContact O-N 3.43Å; A470-R473 VanDerWaalsContact O-N 3.15Å; A470-I474 WeakPolarHBondContact O-CG1 3.44Å; A470-I474 PolarHBondContact O-N 2.8Å |
| 471 | E | 93.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 93.3 Ų | 93.3 | 40% | 0.397 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 174.7 | -73.1 | 174.6 | 168.3 | 0 | 0 | 111.6 | L467 R473 I474 K475 | L467-E471 HydrophobicContact CD1-CG 4.26Å; L467-E471 HydrophobicContact CG-CG 4.39Å; L467-E471 WeakPolarHBondContact O-CB 3.43Å; L467-E471 WeakPolarHBondContact O-CG 3.41Å; L467-E471 PolarHBondContact O-N 3.04Å; E471-R473 VanDerWaalsContact C-N 3.31Å; E471-R473 PolarHBondContact O-N 3Å; E471-I474 PolarHBondContact O-N 3.4Å; E471-K475 WeakPolarHBondContact O-CG 3.39Å; E471-K475 PolarHBondContact O-N 2.9Å |
| 472 | N | 95.1 | Very high | 94.3 | Very high | 98 Ų | 98 | 92.1 Ų | 92.1 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.7 | -35.8 | 175.8 | -72.1 | -23.4 | 0 | 0 | 0 | 112 | T468 A470 K475 Q476 | T468-N472 WeakPolarHBondContact O-CB 3.41Å; T468-N472 PolarHBondContact O-N 2.92Å; T468-N472 PolarHBondContact O-ND2 3.26Å; A470-N472 PolarHBondContact O-N 3.26Å; N472-K475 PolarHBondContact O-N 3.38Å; N472-Q476 PolarHBondContact O-N 2.93Å |
| 473 | R | 96.6 | Very high | 94.4 | Very high | 135 Ų | 135 | 93.2 Ų | 93.2 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 176 | -176.8 | 57.6 | 179 | 135.2 | -3.7 | 112.1 | R469 A470 E471 Q476 L477 | R469-R473 WeakPolarHBondContact O-CB 3.34Å; R469-R473 PolarHBondContact O-N 3.02Å; A470-R473 PolarHBondContact O-N 3.43Å; A470-R473 VanDerWaalsContact O-N 3.15Å; E471-R473 VanDerWaalsContact C-N 3.31Å; E471-R473 PolarHBondContact O-N 3Å; R473-Q476 PolarHBondContact O-N 3.47Å; R473-L477 WeakPolarHBondContact O-CG 3.37Å; R473-L477 PolarHBondContact O-N 2.88Å; R473-L477 VanDerWaalsContact O-N 3.1Å |
| 474 | I | 93.4 | Very high | 94.5 | Very high | 93 Ų | 93 | 93.3 Ų | 93.3 | 48% | 0.477 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.2 | -50.4 | 174.8 | -69.7 | 167.3 | 0 | 0 | 0 | 109.9 | A470 E471 Q476 L477 E478 | A470-I474 WeakPolarHBondContact O-CG1 3.44Å; A470-I474 PolarHBondContact O-N 2.8Å; E471-I474 PolarHBondContact O-N 3.4Å; I474-Q476 VanDerWaalsContact C-N 3.25Å; I474-Q476 PolarHBondContact O-N 2.93Å; I474-L477 PolarHBondContact O-N 3.25Å; I474-E478 HydrophobicContact CG2-CG 4.29Å; I474-E478 WeakPolarHBondContact O-CG 3.49Å; I474-E478 PolarHBondContact O-N 3.09Å |
| 475 | K | 95.6 | Very high | 94.6 | Very high | 115 Ų | 115 | 92.7 Ų | 92.7 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -55.4 | -40.7 | 176.8 | -72.2 | 175.1 | -176.8 | 172.3 | 0 | 112.5 | E471 N472 E478 I479 | E471-K475 WeakPolarHBondContact O-CG 3.39Å; E471-K475 PolarHBondContact O-N 2.9Å; N472-K475 PolarHBondContact O-N 3.38Å; K475-E478 PolarHBondContact O-N 3.28Å; K475-I479 VanDerWaalsContact O-CG1 3.3Å; K475-I479 WeakPolarHBondContact O-CG1 3.39Å; K475-I479 PolarHBondContact O-N 2.96Å |
| 476 | Q | 95.8 | Very high | 94.7 | Very high | 90 Ų | 90 | 91 Ų | 91 | 42% | 0.421 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 176 | -172.3 | 61.6 | 48.6 | 0 | 0 | 111.8 | N472 R473 I474 E478 I479 D480 | N472-Q476 PolarHBondContact O-N 2.93Å; R473-Q476 PolarHBondContact O-N 3.47Å; I474-Q476 VanDerWaalsContact C-N 3.25Å; I474-Q476 PolarHBondContact O-N 2.93Å; Q476-E478 VanDerWaalsContact C-N 3.32Å; Q476-E478 PolarHBondContact O-N 2.96Å; Q476-I479 PolarHBondContact O-N 3.02Å; Q476-D480 PolarHBondContact NE2-OD1 3.2Å; Q476-D480 PolarHBondContact O-N 3.49Å |
| 477 | L | 94.7 | Very high | 94.8 | Very high | 84 Ų | 84 | 91.5 Ų | 91.5 | 44% | 0.44 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 177 | -71 | 171.4 | 0 | 0 | 0 | 112.5 | R473 I474 S481 | R473-L477 WeakPolarHBondContact O-CG 3.37Å; R473-L477 PolarHBondContact O-N 2.88Å; R473-L477 VanDerWaalsContact O-N 3.1Å; I474-L477 PolarHBondContact O-N 3.25Å; L477-S481 WeakPolarHBondContact O-CB 3.45Å; L477-S481 PolarHBondContact O-N 2.85Å; L477-S481 PolarHBondContact O-OG 2.92Å |
| 478 | E | 94.6 | Very high | 95 | Very high | 113 Ų | 113 | 95.2 Ų | 95.2 | 53% | 0.528 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 173 | -71.6 | 172.9 | 165.3 | 0 | 0 | 111.2 | I474 K475 Q476 S481 S482 | I474-E478 HydrophobicContact CG2-CG 4.29Å; I474-E478 WeakPolarHBondContact O-CG 3.49Å; I474-E478 PolarHBondContact O-N 3.09Å; K475-E478 PolarHBondContact O-N 3.28Å; Q476-E478 VanDerWaalsContact C-N 3.32Å; Q476-E478 PolarHBondContact O-N 2.96Å; E478-S481 PolarHBondContact O-OG 3.23Å; E478-S482 VanDerWaalsContact O-CB 3.31Å; E478-S482 WeakPolarHBondContact O-CB 3.44Å; E478-S482 PolarHBondContact O-N 3.45Å; E478-S482 PolarHBondContact O-OG 3.23Å |
| 479 | I | 95.4 | Very high | 95.1 | Very high | 80 Ų | 80 | 98.3 Ų | 98.3 | 41% | 0.41 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -52.3 | 174.5 | -67.3 | 164.6 | 0 | 0 | 0 | 110.2 | K475 Q476 S481 S482 E483 | K475-I479 VanDerWaalsContact O-CG1 3.3Å; K475-I479 WeakPolarHBondContact O-CG1 3.39Å; K475-I479 PolarHBondContact O-N 2.96Å; Q476-I479 PolarHBondContact O-N 3.02Å; I479-S481 VanDerWaalsContact C-N 3.32Å; I479-S481 PolarHBondContact O-N 3.38Å; I479-S482 PolarHBondContact O-N 3.26Å; I479-S482 VanDerWaalsContact O-N 3.08Å; I479-S482 PolarHBondContact O-OG 3.12Å; I479-E483 PolarHBondContact O-N 2.87Å |
| 480 | D | 96.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 95.7 Ų | 95.7 | 32% | 0.316 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -55.9 | -46.4 | -179 | -62.5 | -18.5 | 0 | 0 | 0 | 111 | Q476 E483 E484 | Q476-D480 PolarHBondContact NE2-OD1 3.2Å; Q476-D480 PolarHBondContact O-N 3.49Å; D480-E483 PolarHBondContact O-N 3.48Å; D480-E484 WeakPolarHBondContact O-CG 3.5Å; D480-E484 PolarHBondContact O-N 3.29Å |
| 481 | S | 93.3 | Very high | 95.3 | Very high | 53 Ų | 53 | 98.6 Ų | 98.6 | 37% | 0.371 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 177.2 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | L477 E478 I479 E484 I485 | L477-S481 WeakPolarHBondContact O-CB 3.45Å; L477-S481 PolarHBondContact O-N 2.85Å; L477-S481 PolarHBondContact O-OG 2.92Å; E478-S481 PolarHBondContact O-OG 3.23Å; I479-S481 VanDerWaalsContact C-N 3.32Å; I479-S481 PolarHBondContact O-N 3.38Å; S481-E484 PolarHBondContact O-N 3.28Å; S481-I485 VanDerWaalsContact O-CG1 3.25Å; S481-I485 WeakPolarHBondContact O-CG1 3.31Å; S481-I485 PolarHBondContact O-N 2.86Å |
| 482 | S | 95.5 | Very high | 95.5 | Very high | 58 Ų | 58 | 99 Ų | 99 | 41% | 0.406 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 174.9 | 76.1 | 0 | 0 | 0 | 0 | 112.5 | E478 I479 S486 | E478-S482 VanDerWaalsContact O-CB 3.31Å; E478-S482 WeakPolarHBondContact O-CB 3.44Å; E478-S482 PolarHBondContact O-N 3.45Å; E478-S482 PolarHBondContact O-OG 3.23Å; I479-S482 PolarHBondContact O-N 3.26Å; I479-S482 VanDerWaalsContact O-N 3.08Å; I479-S482 PolarHBondContact O-OG 3.12Å; S482-S486 WeakPolarHBondContact O-CB 3.42Å; S482-S486 PolarHBondContact O-N 2.95Å; S482-S486 PolarHBondContact O-OG 3.31Å |
| 483 | E | 95.5 | Very high | 95.5 | Very high | 90 Ų | 90 | 99 Ų | 99 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 173.5 | -71.5 | -173.2 | -171.1 | 0 | 0 | 111.3 | I479 D480 S486 R487 | I479-E483 PolarHBondContact O-N 2.87Å; D480-E483 PolarHBondContact O-N 3.48Å; E483-S486 WeakPolarHBondContact O-CB 3.35Å; E483-S486 PolarHBondContact O-N 3.43Å; E483-R487 WeakPolarHBondContact O-CG 3.39Å; E483-R487 PolarHBondContact O-N 2.96Å; E483-R487 IonicContact OE2-NH2 3.11Å; E483-R487 PolarHBondContact OE2-NH2 2.92Å |
| 484 | E | 95.2 | Very high | 95.6 | Very high | 108 Ų | 108 | 98.6 Ų | 98.6 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 175.1 | -74 | -178.8 | 172.5 | 0 | 0 | 111.6 | D480 S481 S486 R487 Y488 | D480-E484 WeakPolarHBondContact O-CG 3.5Å; D480-E484 PolarHBondContact O-N 3.29Å; S481-E484 PolarHBondContact O-N 3.28Å; E484-S486 VanDerWaalsContact C-N 3.3Å; E484-S486 PolarHBondContact O-N 3.11Å; E484-R487 PolarHBondContact O-N 2.68Å; E484-Y488 HydrophobicContact CB-CE2 4.32Å; E484-Y488 WeakPolarHBondContact O-CD2 3.42Å; E484-Y488 PolarHBondContact O-N 3.4Å |
| 485 | I | 95.1 | Very high | 95.7 | Very high | 91 Ų | 91 | 99.1 Ų | 99.1 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 174.4 | -70.5 | 165.7 | 0 | 0 | 0 | 110.6 | S481 R487 Y488 Q489 | S481-I485 VanDerWaalsContact O-CG1 3.25Å; S481-I485 WeakPolarHBondContact O-CG1 3.31Å; S481-I485 PolarHBondContact O-N 2.86Å; I485-R487 PolarHBondContact O-N 2.9Å; I485-Y488 PolarHBondContact O-N 3.06Å; I485-Q489 HydrophobicContact CG2-CG 4.34Å; I485-Q489 WeakPolarHBondContact O-CB 3.47Å; I485-Q489 VanDerWaalsContact O-CG 3.29Å; I485-Q489 WeakPolarHBondContact O-CG 3.43Å; I485-Q489 PolarHBondContact O-N 2.95Å |
| 486 | S | 95.4 | Very high | 95.7 | Very high | 56 Ų | 56 | 97.6 Ų | 97.6 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | S482 E483 E484 Y488 Q489 E490 | S482-S486 WeakPolarHBondContact O-CB 3.42Å; S482-S486 PolarHBondContact O-N 2.95Å; S482-S486 PolarHBondContact O-OG 3.31Å; E483-S486 WeakPolarHBondContact O-CB 3.35Å; E483-S486 PolarHBondContact O-N 3.43Å; E484-S486 VanDerWaalsContact C-N 3.3Å; E484-S486 PolarHBondContact O-N 3.11Å; S486-Y488 PolarHBondContact O-N 2.93Å; S486-Q489 PolarHBondContact O-N 3.42Å; S486-E490 WeakPolarHBondContact O-CG 3.38Å; S486-E490 PolarHBondContact O-N 2.92Å |
| 487 | R | 96.9 | Very high | 95.8 | Very high | 160 Ų | 160 | 97.3 Ų | 97.3 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 175.1 | -69.1 | 175.2 | -162.3 | -172.6 | 9.6 | 112 | E483 E484 I485 M491 | E483-R487 WeakPolarHBondContact O-CG 3.39Å; E483-R487 PolarHBondContact O-N 2.96Å; E483-R487 IonicContact OE2-NH2 3.11Å; E483-R487 PolarHBondContact OE2-NH2 2.92Å; E484-R487 PolarHBondContact O-N 2.68Å; I485-R487 PolarHBondContact O-N 2.9Å; R487-M491 WeakPolarHBondContact O-CB 3.35Å; R487-M491 PolarHBondContact O-N 2.78Å |
| 488 | Y | 95.2 | Very high | 95.9 | Very high | 160 Ų | 160 | 97.4 Ų | 97.4 | 63% | 0.627 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | 175.8 | -72.5 | -55.1 | 0 | 0 | 0 | 111.9 | E484 I485 S486 M491 I492 | E484-Y488 HydrophobicContact CB-CE2 4.32Å; E484-Y488 WeakPolarHBondContact O-CD2 3.42Å; E484-Y488 PolarHBondContact O-N 3.4Å; I485-Y488 PolarHBondContact O-N 3.06Å; S486-Y488 PolarHBondContact O-N 2.93Å; Y488-M491 PolarHBondContact O-N 3.11Å; Y488-I492 WeakPolarHBondContact O-CB 3.49Å; Y488-I492 WeakPolarHBondContact O-CD1 3.44Å; Y488-I492 VanDerWaalsContact O-CG1 3.22Å; Y488-I492 WeakPolarHBondContact O-CG1 3.4Å; Y488-I492 PolarHBondContact O-N 3.47Å |
| 489 | Q | 96.4 | Very high | 96 | Very high | 119 Ų | 119 | 96 Ų | 96 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 175.8 | -74.4 | 173.9 | -7.1 | 0 | 0 | 111.9 | I485 S486 M491 I492 Q493 | I485-Q489 HydrophobicContact CG2-CG 4.34Å; I485-Q489 WeakPolarHBondContact O-CB 3.47Å; I485-Q489 VanDerWaalsContact O-CG 3.29Å; I485-Q489 WeakPolarHBondContact O-CG 3.43Å; I485-Q489 PolarHBondContact O-N 2.95Å; S486-Q489 PolarHBondContact O-N 3.42Å; Q489-M491 VanDerWaalsContact C-N 3.35Å; Q489-M491 PolarHBondContact O-N 3.47Å; Q489-I492 PolarHBondContact O-N 3.46Å; Q489-Q493 PolarHBondContact O-N 2.97Å |
| 490 | E | 96.1 | Very high | 96 | Very high | 113 Ų | 113 | 97.4 Ų | 97.4 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 174.6 | -75.4 | -177.1 | -167.1 | 0 | 0 | 112.5 | S486 Q493 K494 | S486-E490 WeakPolarHBondContact O-CG 3.38Å; S486-E490 PolarHBondContact O-N 2.92Å; E490-Q493 PolarHBondContact O-N 3.19Å; E490-K494 WeakPolarHBondContact O-CG 3.46Å; E490-K494 PolarHBondContact O-N 3.43Å |
| 491 | M | 96.4 | Very high | 96 | Very high | 111 Ų | 111 | 96.8 Ų | 96.8 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 176.5 | -175.2 | 65.6 | 80.9 | 0 | 0 | 111 | R487 Y488 Q489 Q493 K494 I495 | R487-M491 WeakPolarHBondContact O-CB 3.35Å; R487-M491 PolarHBondContact O-N 2.78Å; Y488-M491 PolarHBondContact O-N 3.11Å; Q489-M491 VanDerWaalsContact C-N 3.35Å; Q489-M491 PolarHBondContact O-N 3.47Å; M491-Q493 VanDerWaalsContact C-N 3.35Å; M491-Q493 PolarHBondContact O-N 2.93Å; M491-K494 PolarHBondContact O-N 3.47Å; M491-I495 HydrophobicContact CG-CD1 3.96Å; M491-I495 WeakPolarHBondContact O-CG1 3.46Å; M491-I495 PolarHBondContact O-N 2.93Å; M491-I495 HydrophobicContact SD-CD1 4.3Å |
| 492 | I | 96.2 | Very high | 96.1 | Very high | 92 Ų | 92 | 99.1 Ų | 99.1 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 176 | -71.4 | 165 | 0 | 0 | 0 | 110.1 | Y488 Q489 K494 I495 Q496 | Y488-I492 WeakPolarHBondContact O-CB 3.49Å; Y488-I492 WeakPolarHBondContact O-CD1 3.44Å; Y488-I492 VanDerWaalsContact O-CG1 3.22Å; Y488-I492 WeakPolarHBondContact O-CG1 3.4Å; Y488-I492 PolarHBondContact O-N 3.47Å; Q489-I492 PolarHBondContact O-N 3.46Å; I492-K494 PolarHBondContact O-N 2.82Å; I492-I495 PolarHBondContact O-N 3.2Å; I492-Q496 HydrophobicContact CG2-CG 4.3Å; I492-Q496 WeakPolarHBondContact O-CB 3.33Å; I492-Q496 VanDerWaalsContact O-CG 3.29Å; I492-Q496 WeakPolarHBondContact O-CG 3.49Å; I492-Q496 PolarHBondContact O-N 2.87Å |
| 493 | Q | 96.6 | Very high | 96.1 | Very high | 100 Ų | 100 | 104.1 Ų | 104.1 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 178.8 | -171.3 | 64.4 | 51.4 | 0 | 0 | 111.9 | Q489 E490 M491 Q496 N497 | Q489-Q493 PolarHBondContact O-N 2.97Å; E490-Q493 PolarHBondContact O-N 3.19Å; M491-Q493 VanDerWaalsContact C-N 3.35Å; M491-Q493 PolarHBondContact O-N 2.93Å; Q493-Q496 PolarHBondContact O-N 3.38Å; Q493-N497 PolarHBondContact NE2-OD1 2.91Å; Q493-N497 PolarHBondContact O-N 2.92Å; Q493-N497 PolarHBondContact O-OD1 3.26Å |
| 494 | K | 97.3 | Very high | 96.1 | Very high | 125 Ų | 125 | 106.6 Ų | 106.6 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 176.1 | -75.5 | 170.8 | -175.9 | 165.8 | 0 | 111.6 | E490 M491 I492 N497 V498 | E490-K494 WeakPolarHBondContact O-CG 3.46Å; E490-K494 PolarHBondContact O-N 3.43Å; M491-K494 PolarHBondContact O-N 3.47Å; I492-K494 PolarHBondContact O-N 2.82Å; K494-N497 PolarHBondContact O-N 3.33Å; K494-V498 WeakPolarHBondContact O-CG2 3.46Å; K494-V498 PolarHBondContact O-N 3.25Å |
| 495 | I | 95.8 | Very high | 96.2 | Very high | 104 Ų | 104 | 105 Ų | 105 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 178.3 | -67.5 | 169.5 | 0 | 0 | 0 | 111 | M491 I492 V498 L499 | M491-I495 HydrophobicContact CG-CD1 3.96Å; M491-I495 WeakPolarHBondContact O-CG1 3.46Å; M491-I495 PolarHBondContact O-N 2.93Å; M491-I495 HydrophobicContact SD-CD1 4.3Å; I492-I495 PolarHBondContact O-N 3.2Å; I495-V498 PolarHBondContact O-N 3.37Å; I495-L499 WeakPolarHBondContact O-CB 3.38Å; I495-L499 PolarHBondContact O-N 3.46Å |
| 496 | Q | 96.9 | Very high | 96.2 | Very high | 84 Ų | 84 | 104.7 Ų | 104.7 | 39% | 0.393 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 175.3 | -76 | 172.2 | -17.3 | 0 | 0 | 111.7 | I492 Q493 V498 L499 E500 | I492-Q496 HydrophobicContact CG2-CG 4.3Å; I492-Q496 WeakPolarHBondContact O-CB 3.33Å; I492-Q496 VanDerWaalsContact O-CG 3.29Å; I492-Q496 WeakPolarHBondContact O-CG 3.49Å; I492-Q496 PolarHBondContact O-N 2.87Å; Q493-Q496 PolarHBondContact O-N 3.38Å; Q496-V498 VanDerWaalsContact C-N 3.34Å; Q496-V498 PolarHBondContact O-N 2.88Å; Q496-L499 WeakPolarHBondContact O-CB 3.47Å; Q496-L499 PolarHBondContact O-N 2.96Å; Q496-E500 WeakPolarHBondContact O-CG 3.35Å; Q496-E500 PolarHBondContact O-N 3.4Å |
| 497 | N | 96.9 | Very high | 96.2 | Very high | 83 Ų | 83 | 103.4 Ų | 103.4 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 177.7 | -66.7 | -4.6 | 0 | 0 | 0 | 111.8 | Q493 K494 E500 S501 | Q493-N497 PolarHBondContact NE2-OD1 2.91Å; Q493-N497 PolarHBondContact O-N 2.92Å; Q493-N497 PolarHBondContact O-OD1 3.26Å; K494-N497 PolarHBondContact O-N 3.33Å; N497-E500 PolarHBondContact O-N 2.99Å; N497-S501 PolarHBondContact O-N 3.47Å; N497-S501 PolarHBondContact O-OG 2.93Å |
| 498 | V | 97.3 | Very high | 96.2 | Very high | 87 Ų | 87 | 100.3 Ų | 100.3 | 53% | 0.527 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | K494 I495 Q496 E500 S501 E502 | K494-V498 WeakPolarHBondContact O-CG2 3.46Å; K494-V498 PolarHBondContact O-N 3.25Å; I495-V498 PolarHBondContact O-N 3.37Å; Q496-V498 VanDerWaalsContact C-N 3.34Å; Q496-V498 PolarHBondContact O-N 2.88Å; V498-E500 VanDerWaalsContact C-N 3.33Å; V498-E500 PolarHBondContact O-N 3.15Å; V498-S501 WeakPolarHBondContact CA-OG 3.33Å; V498-S501 PolarHBondContact O-N 3Å; V498-S501 PolarHBondContact O-OG 3.49Å; V498-E502 HydrophobicContact CG1-CG 4.4Å; V498-E502 WeakPolarHBondContact O-CB 3.4Å; V498-E502 WeakPolarHBondContact O-CG 3.38Å; V498-E502 PolarHBondContact O-N 2.93Å |
| 499 | L | 96.4 | Very high | 96.3 | Very high | 84 Ų | 84 | 97.1 Ų | 97.1 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 177.8 | -179.3 | 65.8 | 0 | 0 | 0 | 111.9 | I495 Q496 E502 R503 | I495-L499 WeakPolarHBondContact O-CB 3.38Å; I495-L499 PolarHBondContact O-N 3.46Å; Q496-L499 WeakPolarHBondContact O-CB 3.47Å; Q496-L499 PolarHBondContact O-N 2.96Å; L499-E502 PolarHBondContact O-N 3.37Å; L499-R503 WeakPolarHBondContact O-CB 3.44Å; L499-R503 VanDerWaalsContact O-CG 3.25Å; L499-R503 WeakPolarHBondContact O-CG 3.46Å; L499-R503 PolarHBondContact O-N 3.45Å |
| 500 | E | 96.2 | Very high | 96.3 | Very high | 108 Ų | 108 | 93.9 Ų | 93.9 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 175.9 | -74.6 | 174.3 | -176.5 | 0 | 0 | 111.3 | Q496 N497 V498 E502 R503 E504 | Q496-E500 WeakPolarHBondContact O-CG 3.35Å; Q496-E500 PolarHBondContact O-N 3.4Å; N497-E500 PolarHBondContact O-N 2.99Å; V498-E500 VanDerWaalsContact C-N 3.33Å; V498-E500 PolarHBondContact O-N 3.15Å; E500-E502 VanDerWaalsContact C-N 3.32Å; E500-E502 PolarHBondContact O-N 2.9Å; E500-R503 WeakPolarHBondContact O-CB 3.4Å; E500-R503 PolarHBondContact O-N 3.45Å; E500-R503 VanDerWaalsContact O-N 3.15Å; E500-E504 PolarHBondContact O-N 3.39Å |
| 501 | S | 96.3 | Very high | 96.4 | Very high | 47 Ų | 47 | 93.6 Ų | 93.6 | 33% | 0.329 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 176.7 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | N497 V498 E504 N505 | N497-S501 PolarHBondContact O-N 3.47Å; N497-S501 PolarHBondContact O-OG 2.93Å; V498-S501 WeakPolarHBondContact CA-OG 3.33Å; V498-S501 PolarHBondContact O-N 3Å; V498-S501 PolarHBondContact O-OG 3.49Å; S501-E504 PolarHBondContact O-N 2.96Å; S501-N505 WeakPolarHBondContact O-CB 3.48Å; S501-N505 PolarHBondContact O-N 3.37Å; S501-N505 PolarHBondContact O-ND2 3.14Å |
| 502 | E | 93.8 | Very high | 96.4 | Very high | 101 Ų | 101 | 94.1 Ų | 94.1 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.1 | -34.1 | 176.5 | -73.1 | -55.4 | 123.3 | 0 | 0 | 112.4 | V498 L499 E500 N505 C506 | V498-E502 HydrophobicContact CG1-CG 4.4Å; V498-E502 WeakPolarHBondContact O-CB 3.4Å; V498-E502 WeakPolarHBondContact O-CG 3.38Å; V498-E502 PolarHBondContact O-N 2.93Å; L499-E502 PolarHBondContact O-N 3.37Å; E500-E502 VanDerWaalsContact C-N 3.32Å; E500-E502 PolarHBondContact O-N 2.9Å; E502-N505 PolarHBondContact O-N 3.13Å; E502-N505 PolarHBondContact OE1-ND2 2.85Å; E502-C506 WeakPolarHBondContact O-CB 3.5Å; E502-C506 PolarHBondContact O-N 3.39Å; E502-C506 PolarHBondContact O-SG 3.38Å; E502-C506 VanDerWaalsContact O-SG 3.39Å |
| 503 | R | 95.9 | Very high | 96.5 | Very high | 164 Ų | 164 | 98 Ų | 98 | 62% | 0.619 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.9 | -44 | 173 | -76.4 | 169.8 | 176.6 | -177.6 | 0.3 | 111.5 | L499 E500 C506 G507 | L499-R503 WeakPolarHBondContact O-CB 3.44Å; L499-R503 VanDerWaalsContact O-CG 3.25Å; L499-R503 WeakPolarHBondContact O-CG 3.46Å; L499-R503 PolarHBondContact O-N 3.45Å; E500-R503 WeakPolarHBondContact O-CB 3.4Å; E500-R503 PolarHBondContact O-N 3.45Å; E500-R503 VanDerWaalsContact O-N 3.15Å; R503-C506 PolarHBondContact O-N 3.43Å; R503-G507 PolarHBondContact O-N 3.31Å |
| 504 | E | 96.5 | Very high | 96.5 | Very high | 141 Ų | 141 | 97.6 Ų | 97.6 | 66% | 0.659 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.2 | -46.6 | 174.4 | -70.5 | -179.9 | 175.1 | 0 | 0 | 111.3 | E500 S501 C506 G507 L508 | E500-E504 PolarHBondContact O-N 3.39Å; S501-E504 PolarHBondContact O-N 2.96Å; E504-C506 VanDerWaalsContact C-N 3.34Å; E504-C506 PolarHBondContact O-N 3.38Å; E504-G507 WeakPolarHBondContact O-CA 3.45Å; E504-G507 PolarHBondContact O-N 3.31Å; E504-L508 WeakPolarHBondContact O-CG 3.47Å; E504-L508 PolarHBondContact O-N 3.34Å |
| 505 | N | 96.8 | Very high | 96.6 | Very high | 76 Ų | 76 | 97.2 Ų | 97.2 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 175.9 | -72.5 | -24 | 0 | 0 | 0 | 111.8 | S501 E502 G507 L508 V509 | S501-N505 WeakPolarHBondContact O-CB 3.48Å; S501-N505 PolarHBondContact O-N 3.37Å; S501-N505 PolarHBondContact O-ND2 3.14Å; E502-N505 PolarHBondContact O-N 3.13Å; E502-N505 PolarHBondContact OE1-ND2 2.85Å; N505-G507 VanDerWaalsContact C-N 3.32Å; N505-G507 PolarHBondContact O-N 2.82Å; N505-L508 PolarHBondContact O-N 3.18Å; N505-V509 WeakPolarHBondContact O-CG2 3.42Å; N505-V509 PolarHBondContact O-N 3.42Å |
| 506 | C | 94.9 | Very high | 96.6 | Very high | 84 Ų | 84 | 96.9 Ų | 96.9 | 57% | 0.568 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61 | -39.7 | 174.3 | -80.8 | 0 | 0 | 0 | 0 | 112.5 | E502 R503 E504 S510 | E502-C506 WeakPolarHBondContact O-CB 3.5Å; E502-C506 PolarHBondContact O-N 3.39Å; E502-C506 PolarHBondContact O-SG 3.38Å; E502-C506 VanDerWaalsContact O-SG 3.39Å; R503-C506 PolarHBondContact O-N 3.43Å; E504-C506 VanDerWaalsContact C-N 3.34Å; E504-C506 PolarHBondContact O-N 3.38Å; C506-S510 VanDerWaalsContact O-CB 3.31Å; C506-S510 WeakPolarHBondContact O-CB 3.45Å; C506-S510 PolarHBondContact O-N 3.05Å; C506-S510 PolarHBondContact O-OG 3.01Å |
| 507 | G | 96.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 99 Ų | 99 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.4 | -54.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | R503 E504 N505 V509 S510 E511 | R503-G507 PolarHBondContact O-N 3.31Å; E504-G507 WeakPolarHBondContact O-CA 3.45Å; E504-G507 PolarHBondContact O-N 3.31Å; N505-G507 VanDerWaalsContact C-N 3.32Å; N505-G507 PolarHBondContact O-N 2.82Å; G507-V509 PolarHBondContact O-N 3.43Å; G507-S510 WeakPolarHBondContact O-CB 3.42Å; G507-S510 PolarHBondContact O-N 3.41Å; G507-S510 VanDerWaalsContact O-N 3.11Å; G507-S510 PolarHBondContact O-OG 2.94Å; G507-E511 PolarHBondContact O-N 2.93Å |
| 508 | L | 97 | Very high | 96.7 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 179.2 | -67.2 | 174.3 | 0 | 0 | 0 | 112.6 | E504 N505 S510 E511 Q512 | E504-L508 WeakPolarHBondContact O-CG 3.47Å; E504-L508 PolarHBondContact O-N 3.34Å; N505-L508 PolarHBondContact O-N 3.18Å; L508-S510 VanDerWaalsContact C-N 3.3Å; L508-S510 PolarHBondContact O-N 2.86Å; L508-E511 PolarHBondContact O-N 2.9Å; L508-Q512 WeakPolarHBondContact O-CG 3.4Å; L508-Q512 PolarHBondContact O-N 2.93Å |
| 509 | V | 97.3 | Very high | 96.7 | Very high | 92 Ų | 92 | 101.8 Ų | 101.8 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -39.2 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | N505 G507 Q512 R513 | N505-V509 WeakPolarHBondContact O-CG2 3.42Å; N505-V509 PolarHBondContact O-N 3.42Å; G507-V509 PolarHBondContact O-N 3.43Å; V509-Q512 PolarHBondContact O-N 2.81Å; V509-R513 VanDerWaalsContact O-CB 3.32Å; V509-R513 WeakPolarHBondContact O-CB 3.48Å; V509-R513 PolarHBondContact O-N 3.37Å |
| 510 | S | 96.1 | Very high | 96.6 | Very high | 52 Ų | 52 | 101.9 Ų | 101.9 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 177.9 | 80.2 | 0 | 0 | 0 | 0 | 112.6 | C506 G507 L508 R513 L514 | C506-S510 VanDerWaalsContact O-CB 3.31Å; C506-S510 WeakPolarHBondContact O-CB 3.45Å; C506-S510 PolarHBondContact O-N 3.05Å; C506-S510 PolarHBondContact O-OG 3.01Å; G507-S510 WeakPolarHBondContact O-CB 3.42Å; G507-S510 PolarHBondContact O-N 3.41Å; G507-S510 VanDerWaalsContact O-N 3.11Å; G507-S510 PolarHBondContact O-OG 2.94Å; L508-S510 VanDerWaalsContact C-N 3.3Å; L508-S510 PolarHBondContact O-N 2.86Å; S510-R513 PolarHBondContact O-N 2.8Å; S510-L514 WeakPolarHBondContact O-CB 3.5Å; S510-L514 PolarHBondContact O-N 3.47Å |
| 511 | E | 97.5 | Very high | 96.7 | Very high | 107 Ų | 107 | 103.4 Ų | 103.4 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 174.6 | -73.3 | -175.2 | -176.4 | 0 | 0 | 111.9 | G507 L508 R513 L514 K515 | G507-E511 PolarHBondContact O-N 2.93Å; L508-E511 PolarHBondContact O-N 2.9Å; E511-R513 VanDerWaalsContact C-N 3.34Å; E511-R513 PolarHBondContact O-N 3.1Å; E511-L514 WeakPolarHBondContact O-CB 3.41Å; E511-L514 PolarHBondContact O-N 3.27Å; E511-K515 WeakPolarHBondContact O-CG 3.48Å; E511-K515 PolarHBondContact O-N 2.92Å |
| 512 | Q | 97.3 | Very high | 96.8 | Very high | 122 Ų | 122 | 105.5 Ų | 105.5 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.7 | -44.7 | 175.1 | -74.1 | -179.4 | -2.9 | 0 | 0 | 111.2 | L508 V509 L514 K515 L516 | L508-Q512 WeakPolarHBondContact O-CG 3.4Å; L508-Q512 PolarHBondContact O-N 2.93Å; V509-Q512 PolarHBondContact O-N 2.81Å; Q512-L514 VanDerWaalsContact C-N 3.29Å; Q512-L514 PolarHBondContact O-N 3.5Å; Q512-K515 PolarHBondContact O-N 3.29Å; Q512-L516 WeakPolarHBondContact O-CG 3.4Å; Q512-L516 PolarHBondContact O-N 2.94Å |
| 513 | R | 97.4 | Very high | 96.9 | Very high | 173 Ų | 173 | 105.3 Ų | 105.3 | 65% | 0.653 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.1 | -42.8 | 174.7 | -175.7 | -179.3 | 68.5 | -170.3 | -0.4 | 111.4 | V509 S510 E511 Q517 | V509-R513 VanDerWaalsContact O-CB 3.32Å; V509-R513 WeakPolarHBondContact O-CB 3.48Å; V509-R513 PolarHBondContact O-N 3.37Å; S510-R513 PolarHBondContact O-N 2.8Å; E511-R513 VanDerWaalsContact C-N 3.34Å; E511-R513 PolarHBondContact O-N 3.1Å; R513-Q517 WeakPolarHBondContact O-CB 3.33Å; R513-Q517 PolarHBondContact O-N 3.3Å |
| 514 | L | 97.3 | Very high | 97 | Very high | 92 Ų | 92 | 106.3 Ų | 106.3 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 177.7 | -177.9 | 64.1 | 0 | 0 | 0 | 111.8 | S510 E511 Q512 Q517 Q518 | S510-L514 WeakPolarHBondContact O-CB 3.5Å; S510-L514 PolarHBondContact O-N 3.47Å; E511-L514 WeakPolarHBondContact O-CB 3.41Å; E511-L514 PolarHBondContact O-N 3.27Å; Q512-L514 VanDerWaalsContact C-N 3.29Å; Q512-L514 PolarHBondContact O-N 3.5Å; L514-Q517 PolarHBondContact O-N 2.86Å; L514-Q518 WeakPolarHBondContact O-CG 3.26Å; L514-Q518 PolarHBondContact O-N 2.88Å |
| 515 | K | 97.9 | Very high | 97 | Very high | 117 Ų | 117 | 105.3 Ų | 105.3 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.7 | -50.8 | 176 | -72.3 | 175.3 | -175.1 | 173.4 | 0 | 111.2 | E511 Q512 Q517 Q518 E519 | E511-K515 WeakPolarHBondContact O-CG 3.48Å; E511-K515 PolarHBondContact O-N 2.92Å; Q512-K515 PolarHBondContact O-N 3.29Å; K515-Q517 VanDerWaalsContact C-N 3.26Å; K515-Q517 PolarHBondContact O-N 3.47Å; K515-Q518 WeakPolarHBondContact O-CB 3.34Å; K515-Q518 PolarHBondContact O-N 3.31Å; K515-Q518 VanDerWaalsContact O-N 3.09Å; K515-E519 WeakPolarHBondContact O-CG 3.44Å; K515-E519 PolarHBondContact O-N 3.4Å |
| 516 | L | 97.3 | Very high | 97.1 | Very high | 97 Ų | 97 | 105.8 Ų | 105.8 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.4 | -35 | 176.9 | -71 | 174.2 | 0 | 0 | 0 | 112.5 | Q512 N520 | Q512-L516 WeakPolarHBondContact O-CG 3.4Å; Q512-L516 PolarHBondContact O-N 2.94Å; L516-N520 WeakPolarHBondContact O-CB 3.48Å; L516-N520 PolarHBondContact O-N 3Å; L516-N520 PolarHBondContact O-ND2 2.89Å |
| 517 | Q | 97 | Very high | 97.1 | Very high | 127 Ų | 127 | 105 Ų | 105 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.9 | -39 | 175.9 | -172.4 | 177.9 | -4.5 | 0 | 0 | 112 | R513 L514 K515 K521 | R513-Q517 WeakPolarHBondContact O-CB 3.33Å; R513-Q517 PolarHBondContact O-N 3.3Å; L514-Q517 PolarHBondContact O-N 2.86Å; K515-Q517 VanDerWaalsContact C-N 3.26Å; K515-Q517 PolarHBondContact O-N 3.47Å; Q517-K521 WeakPolarHBondContact O-CB 3.36Å; Q517-K521 PolarHBondContact O-N 3.41Å |
| 518 | Q | 97.7 | Very high | 97.2 | Very high | 120 Ų | 120 | 109.2 Ų | 109.2 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.6 | -44.9 | 174.8 | -70.7 | 174.7 | -2.4 | 0 | 0 | 111.4 | L514 K515 K521 Q522 | L514-Q518 WeakPolarHBondContact O-CG 3.26Å; L514-Q518 PolarHBondContact O-N 2.88Å; K515-Q518 WeakPolarHBondContact O-CB 3.34Å; K515-Q518 PolarHBondContact O-N 3.31Å; K515-Q518 VanDerWaalsContact O-N 3.09Å; Q518-K521 WeakPolarHBondContact O-CB 3.3Å; Q518-K521 PolarHBondContact O-N 3.49Å; Q518-Q522 PolarHBondContact O-N 2.83Å |
| 519 | E | 97.7 | Very high | 97.2 | Very high | 110 Ų | 110 | 107.4 Ų | 107.4 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 174.4 | -72.8 | 172.9 | -169.1 | 0 | 0 | 111.5 | K515 K521 Q522 L523 | K515-E519 WeakPolarHBondContact O-CG 3.44Å; K515-E519 PolarHBondContact O-N 3.4Å; E519-K521 VanDerWaalsContact C-N 3.29Å; E519-K521 PolarHBondContact O-N 3.26Å; E519-Q522 WeakPolarHBondContact O-CB 3.28Å; E519-Q522 PolarHBondContact O-N 2.97Å; E519-Q522 VanDerWaalsContact O-N 3.08Å; E519-L523 WeakPolarHBondContact O-CG 3.41Å; E519-L523 PolarHBondContact O-N 3.16Å |
| 520 | N | 95.3 | Very high | 97.1 | Very high | 86 Ų | 86 | 108.4 Ų | 108.4 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.3 | -41.2 | 174.7 | -92.7 | -80 | 0 | 0 | 0 | 112.3 | L516 Q522 R524 | L516-N520 WeakPolarHBondContact O-CB 3.48Å; L516-N520 PolarHBondContact O-N 3Å; L516-N520 PolarHBondContact O-ND2 2.89Å; N520-Q522 VanDerWaalsContact C-N 3.31Å; N520-Q522 PolarHBondContact O-N 3.41Å; N520-R524 WeakPolarHBondContact O-CB 3.49Å; N520-R524 VanDerWaalsContact O-CG 3.26Å; N520-R524 WeakPolarHBondContact O-CG 3.36Å; N520-R524 PolarHBondContact O-N 2.86Å |
| 521 | K | 97.8 | Very high | 97.2 | Very high | 139 Ų | 139 | 114 Ų | 114 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.1 | -38.9 | 176.5 | -172.8 | 177.9 | -178.4 | 178.7 | 0 | 111.2 | Q517 Q518 E519 K525 | Q517-K521 WeakPolarHBondContact O-CB 3.36Å; Q517-K521 PolarHBondContact O-N 3.41Å; Q518-K521 WeakPolarHBondContact O-CB 3.3Å; Q518-K521 PolarHBondContact O-N 3.49Å; E519-K521 VanDerWaalsContact C-N 3.29Å; E519-K521 PolarHBondContact O-N 3.26Å; K521-K525 WeakPolarHBondContact O-CG 3.49Å; K521-K525 PolarHBondContact O-N 3.36Å |
| 522 | Q | 97.9 | Very high | 97.2 | Very high | 92 Ų | 92 | 114.7 Ų | 114.7 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -49 | 177.7 | -177 | 57.6 | 22.8 | 0 | 0 | 111.7 | Q518 E519 N520 R524 K525 E526 | Q518-Q522 PolarHBondContact O-N 2.83Å; E519-Q522 WeakPolarHBondContact O-CB 3.28Å; E519-Q522 PolarHBondContact O-N 2.97Å; E519-Q522 VanDerWaalsContact O-N 3.08Å; N520-Q522 VanDerWaalsContact C-N 3.31Å; N520-Q522 PolarHBondContact O-N 3.41Å; Q522-R524 VanDerWaalsContact C-N 3.25Å; Q522-R524 PolarHBondContact O-N 3.19Å; Q522-K525 WeakPolarHBondContact O-CB 3.48Å; Q522-K525 PolarHBondContact O-N 3.24Å; Q522-E526 WeakPolarHBondContact CG-OE1 3.37Å; Q522-E526 PolarHBondContact NE2-OE1 3.42Å; Q522-E526 PolarHBondContact O-N 2.91Å |
| 523 | L | 96.4 | Very high | 97.2 | Very high | 97 Ų | 97 | 114 Ų | 114 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58 | -37.5 | 176.1 | -71.4 | 174 | 0 | 0 | 0 | 112.3 | E519 E526 T527 | E519-L523 WeakPolarHBondContact O-CG 3.41Å; E519-L523 PolarHBondContact O-N 3.16Å; L523-E526 PolarHBondContact O-N 3.3Å; L523-T527 WeakPolarHBondContact O-CB 3.48Å; L523-T527 PolarHBondContact O-N 3.04Å; L523-T527 PolarHBondContact O-OG1 3.46Å |
| 524 | R | 96.9 | Very high | 97.1 | Very high | 185 Ų | 185 | 108.5 Ų | 108.5 | 70% | 0.698 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 173.7 | -76.9 | 177.8 | -176 | -165.8 | 2 | 112.2 | N520 Q522 T527 E528 | N520-R524 WeakPolarHBondContact O-CB 3.49Å; N520-R524 VanDerWaalsContact O-CG 3.26Å; N520-R524 WeakPolarHBondContact O-CG 3.36Å; N520-R524 PolarHBondContact O-N 2.86Å; Q522-R524 VanDerWaalsContact C-N 3.25Å; Q522-R524 PolarHBondContact O-N 3.19Å; R524-T527 PolarHBondContact O-N 2.97Å; R524-E528 WeakPolarHBondContact O-CB 3.31Å; R524-E528 PolarHBondContact O-N 2.95Å |
| 525 | K | 97.9 | Very high | 97.1 | Very high | 120 Ų | 120 | 108.5 Ų | 108.5 | 52% | 0.522 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.2 | -72.3 | 176.8 | 177.3 | -176.8 | 0 | 111.6 | K521 Q522 E528 S529 | K521-K525 WeakPolarHBondContact O-CG 3.49Å; K521-K525 PolarHBondContact O-N 3.36Å; Q522-K525 WeakPolarHBondContact O-CB 3.48Å; Q522-K525 PolarHBondContact O-N 3.24Å; K525-E528 PolarHBondContact O-N 2.94Å; K525-S529 PolarHBondContact O-N 2.92Å |
| 526 | E | 97.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 108.1 Ų | 108.1 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 177.3 | -73.4 | 170.2 | -166.2 | 0 | 0 | 111.1 | Q522 L523 E528 S529 L530 | Q522-E526 WeakPolarHBondContact CG-OE1 3.37Å; Q522-E526 PolarHBondContact NE2-OE1 3.42Å; Q522-E526 PolarHBondContact O-N 2.91Å; L523-E526 PolarHBondContact O-N 3.3Å; E526-E528 VanDerWaalsContact C-N 3.28Å; E526-E528 PolarHBondContact O-N 2.7Å; E526-S529 PolarHBondContact O-N 3.4Å; E526-S529 VanDerWaalsContact O-N 3.14Å; E526-S529 PolarHBondContact O-OG 3.37Å; E526-L530 WeakPolarHBondContact O-CG 3.45Å; E526-L530 PolarHBondContact O-N 3.49Å |
| 527 | T | 95.9 | Very high | 97 | Very high | 68 Ų | 68 | 106.2 Ų | 106.2 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -41.3 | 175.8 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | L523 R524 R531 | L523-T527 WeakPolarHBondContact O-CB 3.48Å; L523-T527 PolarHBondContact O-N 3.04Å; L523-T527 PolarHBondContact O-OG1 3.46Å; R524-T527 PolarHBondContact O-N 2.97Å; T527-R531 WeakPolarHBondContact O-CB 3.32Å; T527-R531 PolarHBondContact O-N 3.08Å |
| 528 | E | 97.6 | Very high | 97 | Very high | 117 Ų | 117 | 104.8 Ų | 104.8 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.6 | -38 | 177.9 | -167.7 | 166.5 | 178.4 | 0 | 0 | 112.2 | R524 K525 E526 R531 K532 | R524-E528 WeakPolarHBondContact O-CB 3.31Å; R524-E528 PolarHBondContact O-N 2.95Å; K525-E528 PolarHBondContact O-N 2.94Å; E526-E528 VanDerWaalsContact C-N 3.28Å; E526-E528 PolarHBondContact O-N 2.7Å; E528-R531 PolarHBondContact O-N 3.24Å; E528-K532 WeakPolarHBondContact O-CG 3.42Å; E528-K532 PolarHBondContact O-N 2.91Å |
| 529 | S | 97.3 | Very high | 96.9 | Very high | 58 Ų | 58 | 105.7 Ų | 105.7 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 173.6 | 75.8 | 0 | 0 | 0 | 0 | 112.1 | K525 E526 R531 K532 I533 | K525-S529 PolarHBondContact O-N 2.92Å; E526-S529 PolarHBondContact O-N 3.4Å; E526-S529 VanDerWaalsContact O-N 3.14Å; E526-S529 PolarHBondContact O-OG 3.37Å; S529-R531 VanDerWaalsContact C-N 3.34Å; S529-R531 PolarHBondContact O-N 3.27Å; S529-K532 WeakPolarHBondContact O-CB 3.48Å; S529-K532 PolarHBondContact O-N 3.05Å; S529-K532 VanDerWaalsContact O-N 3.16Å; S529-I533 WeakPolarHBondContact O-CG1 3.44Å; S529-I533 PolarHBondContact O-N 2.85Å |
| 530 | L | 95.9 | Very high | 96.9 | Very high | 113 Ų | 113 | 107.5 Ų | 107.5 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 176 | -71.2 | 174 | 0 | 0 | 0 | 111.3 | E526 K532 I533 A534 | E526-L530 WeakPolarHBondContact O-CG 3.45Å; E526-L530 PolarHBondContact O-N 3.49Å; L530-K532 VanDerWaalsContact C-N 3.34Å; L530-K532 PolarHBondContact O-N 3.23Å; L530-I533 PolarHBondContact O-N 2.91Å; L530-A534 WeakPolarHBondContact O-CB 3.5Å; L530-A534 PolarHBondContact O-N 3.4Å |
| 531 | R | 97.9 | Very high | 96.9 | Very high | 168 Ų | 168 | 105.8 Ų | 105.8 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60 | -42.1 | 172.3 | -88.1 | -168.1 | 177.9 | 106.2 | 0.2 | 112.4 | T527 E528 S529 A534 L535 | T527-R531 WeakPolarHBondContact O-CB 3.32Å; T527-R531 PolarHBondContact O-N 3.08Å; E528-R531 PolarHBondContact O-N 3.24Å; S529-R531 VanDerWaalsContact C-N 3.34Å; S529-R531 PolarHBondContact O-N 3.27Å; R531-A534 PolarHBondContact O-N 3.24Å; R531-L535 WeakPolarHBondContact O-CB 3.37Å; R531-L535 WeakPolarHBondContact O-CG 3.37Å; R531-L535 PolarHBondContact O-N 3.05Å |
| 532 | K | 97.9 | Very high | 96.9 | Very high | 122 Ų | 122 | 104.9 Ų | 104.9 | 53% | 0.53 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 176.6 | -72 | 176.1 | -176.8 | 178.7 | 0 | 111.2 | E528 S529 L530 A534 L535 E536 | E528-K532 WeakPolarHBondContact O-CG 3.42Å; E528-K532 PolarHBondContact O-N 2.91Å; S529-K532 WeakPolarHBondContact O-CB 3.48Å; S529-K532 PolarHBondContact O-N 3.05Å; S529-K532 VanDerWaalsContact O-N 3.16Å; L530-K532 VanDerWaalsContact C-N 3.34Å; L530-K532 PolarHBondContact O-N 3.23Å; K532-A534 VanDerWaalsContact C-N 3.35Å; K532-A534 PolarHBondContact O-N 2.96Å; K532-L535 PolarHBondContact O-N 3.48Å; K532-E536 WeakPolarHBondContact O-CG 3.37Å; K532-E536 PolarHBondContact O-N 3.45Å |
| 533 | I | 97.3 | Very high | 96.9 | Very high | 107 Ų | 107 | 106.2 Ų | 106.2 | 55% | 0.549 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 176.7 | -64.3 | 169.2 | 0 | 0 | 0 | 110.8 | S529 L530 L535 E536 A537 | S529-I533 WeakPolarHBondContact O-CG1 3.44Å; S529-I533 PolarHBondContact O-N 2.85Å; L530-I533 PolarHBondContact O-N 2.91Å; I533-L535 PolarHBondContact O-N 2.89Å; I533-E536 PolarHBondContact O-N 3.44Å; I533-A537 WeakPolarHBondContact O-CB 3.25Å; I533-A537 PolarHBondContact O-N 2.96Å |
| 534 | A | 94.6 | Very high | 97 | Very high | 59 Ų | 59 | 108.5 Ų | 108.5 | 49% | 0.488 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L530 R531 K532 A537 Q538 | L530-A534 WeakPolarHBondContact O-CB 3.5Å; L530-A534 PolarHBondContact O-N 3.4Å; R531-A534 PolarHBondContact O-N 3.24Å; K532-A534 VanDerWaalsContact C-N 3.35Å; K532-A534 PolarHBondContact O-N 2.96Å; A534-A537 PolarHBondContact O-N 2.82Å; A534-Q538 WeakPolarHBondContact O-CB 3.32Å; A534-Q538 PolarHBondContact O-N 3.26Å |
| 535 | L | 97.6 | Very high | 96.9 | Very high | 91 Ų | 91 | 104 Ų | 104 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | 175.6 | -78.2 | 169.4 | 0 | 0 | 0 | 112.3 | R531 K532 I533 Q538 K539 | R531-L535 WeakPolarHBondContact O-CB 3.37Å; R531-L535 WeakPolarHBondContact O-CG 3.37Å; R531-L535 PolarHBondContact O-N 3.05Å; K532-L535 PolarHBondContact O-N 3.48Å; I533-L535 PolarHBondContact O-N 2.89Å; L535-Q538 PolarHBondContact O-N 3.01Å; L535-K539 WeakPolarHBondContact O-CB 3.43Å; L535-K539 WeakPolarHBondContact O-CG 3.42Å; L535-K539 PolarHBondContact O-N 3.44Å |
| 536 | E | 97.3 | Very high | 96.8 | Very high | 110 Ų | 110 | 101.4 Ų | 101.4 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 175.1 | -74.1 | 175.7 | -165 | 0 | 0 | 111.8 | K532 I533 Q538 K539 K540 | K532-E536 WeakPolarHBondContact O-CG 3.37Å; K532-E536 PolarHBondContact O-N 3.45Å; I533-E536 PolarHBondContact O-N 3.44Å; E536-Q538 VanDerWaalsContact C-N 3.33Å; E536-Q538 PolarHBondContact O-N 2.84Å; E536-K539 PolarHBondContact O-N 3.45Å; E536-K540 WeakPolarHBondContact O-CG 3.35Å; E536-K540 PolarHBondContact O-N 3.5Å |
| 537 | A | 95.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 101 Ų | 101 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I533 A534 K540 A541 | I533-A537 WeakPolarHBondContact O-CB 3.25Å; I533-A537 PolarHBondContact O-N 2.96Å; A534-A537 PolarHBondContact O-N 2.82Å; A537-K540 PolarHBondContact O-N 3.26Å; A537-A541 WeakPolarHBondContact O-CB 3.5Å; A537-A541 PolarHBondContact O-N 3.26Å |
| 538 | Q | 96.6 | Very high | 96.9 | Very high | 97 Ų | 97 | 101.8 Ų | 101.8 | 45% | 0.453 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 175.3 | -171.4 | -171.1 | 25.7 | 0 | 0 | 111.9 | A534 L535 E536 A541 K542 | A534-Q538 WeakPolarHBondContact O-CB 3.32Å; A534-Q538 PolarHBondContact O-N 3.26Å; L535-Q538 PolarHBondContact O-N 3.01Å; E536-Q538 VanDerWaalsContact C-N 3.33Å; E536-Q538 PolarHBondContact O-N 2.84Å; Q538-A541 PolarHBondContact O-N 2.98Å; Q538-K542 WeakPolarHBondContact O-CB 3.44Å; Q538-K542 WeakPolarHBondContact O-CG 3.32Å; Q538-K542 PolarHBondContact O-N 3.38Å |
| 539 | K | 97.5 | Very high | 96.8 | Very high | 139 Ų | 139 | 102 Ų | 102 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.8 | -44.7 | 176.4 | -75.5 | 175.9 | -178.5 | -178.7 | 0 | 111.4 | L535 E536 K542 L543 | L535-K539 WeakPolarHBondContact O-CB 3.43Å; L535-K539 WeakPolarHBondContact O-CG 3.42Å; L535-K539 PolarHBondContact O-N 3.44Å; E536-K539 PolarHBondContact O-N 3.45Å; K539-K542 PolarHBondContact O-N 2.87Å; K539-L543 WeakPolarHBondContact O-CG 3.46Å; K539-L543 PolarHBondContact O-N 3.25Å |
| 540 | K | 97.6 | Very high | 96.8 | Very high | 148 Ų | 148 | 104.8 Ų | 104.8 | 64% | 0.643 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 176 | -73.8 | 176.3 | -178.7 | 176.8 | 0 | 111.9 | E536 A537 L543 K544 | E536-K540 WeakPolarHBondContact O-CG 3.35Å; E536-K540 PolarHBondContact O-N 3.5Å; A537-K540 PolarHBondContact O-N 3.26Å; K540-L543 PolarHBondContact O-N 2.98Å; K540-K544 PolarHBondContact O-N 3.01Å |
| 541 | A | 94.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 104.1 Ų | 104.1 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A537 Q538 L543 K544 I545 | A537-A541 WeakPolarHBondContact O-CB 3.5Å; A537-A541 PolarHBondContact O-N 3.26Å; Q538-A541 PolarHBondContact O-N 2.98Å; A541-L543 PolarHBondContact O-N 3Å; A541-K544 PolarHBondContact O-N 3.03Å; A541-I545 WeakPolarHBondContact O-CG1 3.35Å; A541-I545 PolarHBondContact O-N 3.46Å |
| 542 | K | 97.8 | Very high | 96.8 | Very high | 121 Ų | 121 | 101.6 Ų | 101.6 | 53% | 0.526 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 175.3 | -77.6 | -178.8 | 176.2 | -175.7 | 0 | 112.1 | Q538 K539 K544 I545 S546 | Q538-K542 WeakPolarHBondContact O-CB 3.44Å; Q538-K542 WeakPolarHBondContact O-CG 3.32Å; Q538-K542 PolarHBondContact O-N 3.38Å; K539-K542 PolarHBondContact O-N 2.87Å; K542-K544 VanDerWaalsContact C-N 3.34Å; K542-K544 PolarHBondContact O-N 3.32Å; K542-I545 PolarHBondContact O-N 2.93Å; K542-S546 PolarHBondContact O-N 3.03Å; K542-S546 PolarHBondContact O-OG 2.87Å |
| 543 | L | 97.5 | Very high | 96.7 | Very high | 120 Ų | 120 | 97.7 Ų | 97.7 | 63% | 0.628 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.2 | -45.9 | 176.1 | -72.8 | 171.4 | 0 | 0 | 0 | 111.4 | K539 K540 A541 I545 S546 T547 | K539-L543 WeakPolarHBondContact O-CG 3.46Å; K539-L543 PolarHBondContact O-N 3.25Å; K540-L543 PolarHBondContact O-N 2.98Å; A541-L543 PolarHBondContact O-N 3Å; L543-I545 VanDerWaalsContact C-N 3.33Å; L543-I545 PolarHBondContact O-N 2.91Å; L543-S546 PolarHBondContact O-N 3.47Å; L543-T547 PolarHBondContact O-N 3.04Å; L543-T547 PolarHBondContact O-OG1 3.44Å |
| 544 | K | 97.8 | Very high | 96.7 | Very high | 144 Ų | 144 | 96 Ų | 96 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.5 | -41.9 | 177.9 | -171.2 | 175.2 | -177.5 | 179.7 | 0 | 112.2 | K540 A541 K542 T547 M548 | K540-K544 PolarHBondContact O-N 3.01Å; A541-K544 PolarHBondContact O-N 3.03Å; K542-K544 VanDerWaalsContact C-N 3.34Å; K542-K544 PolarHBondContact O-N 3.32Å; K544-T547 PolarHBondContact O-N 3.43Å; K544-M548 HydrophobicContact CG-SD 4.29Å; K544-M548 WeakPolarHBondContact O-CB 3.44Å; K544-M548 VanDerWaalsContact O-CG 3.31Å; K544-M548 WeakPolarHBondContact O-CG 3.46Å; K544-M548 PolarHBondContact O-N 2.92Å |
| 545 | I | 96.3 | Very high | 96.9 | Very high | 91 Ų | 91 | 98.8 Ų | 98.8 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -50.9 | 175.6 | -69.1 | 166.7 | 0 | 0 | 0 | 110.1 | A541 K542 L543 T547 M548 E549 | A541-I545 WeakPolarHBondContact O-CG1 3.35Å; A541-I545 PolarHBondContact O-N 3.46Å; K542-I545 PolarHBondContact O-N 2.93Å; L543-I545 VanDerWaalsContact C-N 3.33Å; L543-I545 PolarHBondContact O-N 2.91Å; I545-T547 VanDerWaalsContact C-N 3.29Å; I545-T547 PolarHBondContact O-N 3.05Å; I545-M548 PolarHBondContact O-N 3.27Å; I545-M548 VanDerWaalsContact O-N 3.12Å; I545-E549 HydrophobicContact CG2-CG 4.19Å; I545-E549 WeakPolarHBondContact CG2-OE1 3.46Å; I545-E549 WeakPolarHBondContact O-CB 3.42Å; I545-E549 WeakPolarHBondContact O-CG 3.32Å; I545-E549 PolarHBondContact O-N 3.02Å |
| 546 | S | 95.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 100.7 Ų | 100.7 | 46% | 0.462 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -35.2 | 179.3 | -61 | 0 | 0 | 0 | 0 | 113.2 | K542 L543 H550 | K542-S546 PolarHBondContact O-N 3.03Å; K542-S546 PolarHBondContact O-OG 2.87Å; L543-S546 PolarHBondContact O-N 3.47Å; S546-H550 WeakPolarHBondContact O-CB 3.42Å; S546-H550 PolarHBondContact O-N 2.83Å |
| 547 | T | 97.2 | Very high | 96.7 | Very high | 76 Ų | 76 | 101.7 Ų | 101.7 | 47% | 0.466 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -47.4 | 172.6 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | L543 K544 I545 E549 H550 E551 | L543-T547 PolarHBondContact O-N 3.04Å; L543-T547 PolarHBondContact O-OG1 3.44Å; K544-T547 PolarHBondContact O-N 3.43Å; I545-T547 VanDerWaalsContact C-N 3.29Å; I545-T547 PolarHBondContact O-N 3.05Å; T547-E549 PolarHBondContact O-N 3.48Å; T547-H550 PolarHBondContact O-N 3.47Å; T547-E551 WeakPolarHBondContact O-CG 3.5Å; T547-E551 PolarHBondContact O-N 2.96Å |
| 548 | M | 97 | Very high | 96.8 | Very high | 85 Ų | 85 | 100.6 Ų | 100.6 | 42% | 0.419 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 177.4 | -72.9 | 178.9 | 65 | 0 | 0 | 111.9 | K544 I545 H550 E551 F552 | K544-M548 HydrophobicContact CG-SD 4.29Å; K544-M548 WeakPolarHBondContact O-CB 3.44Å; K544-M548 VanDerWaalsContact O-CG 3.31Å; K544-M548 WeakPolarHBondContact O-CG 3.46Å; K544-M548 PolarHBondContact O-N 2.92Å; I545-M548 PolarHBondContact O-N 3.27Å; I545-M548 VanDerWaalsContact O-N 3.12Å; M548-H550 VanDerWaalsContact C-N 3.31Å; M548-H550 PolarHBondContact O-N 3.49Å; M548-E551 PolarHBondContact O-N 2.92Å; M548-F552 HydrophobicContact CB-CE2 4.48Å; M548-F552 HydrophobicContact CE-CE2 4.19Å; M548-F552 WeakPolarHBondContact O-CD2 3.46Å; M548-F552 PolarHBondContact O-N 3.31Å |
| 549 | E | 95.6 | Very high | 96.9 | Very high | 120 Ų | 120 | 102.6 Ų | 102.6 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.5 | -42.9 | 175.4 | -74.1 | 170.9 | 166.7 | 0 | 0 | 111.7 | I545 T547 F552 S553 | I545-E549 HydrophobicContact CG2-CG 4.19Å; I545-E549 WeakPolarHBondContact CG2-OE1 3.46Å; I545-E549 WeakPolarHBondContact O-CB 3.42Å; I545-E549 WeakPolarHBondContact O-CG 3.32Å; I545-E549 PolarHBondContact O-N 3.02Å; T547-E549 PolarHBondContact O-N 3.48Å; E549-F552 PolarHBondContact O-N 2.94Å; E549-S553 WeakPolarHBondContact O-CB 3.5Å; E549-S553 PolarHBondContact O-N 3.44Å |
| 550 | H | 97.6 | Very high | 96.9 | Very high | 118 Ų | 118 | 101 Ų | 101 | 55% | 0.546 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 175.6 | -176.1 | 65.1 | 0 | 0 | 0 | 112 | S546 T547 M548 F552 S553 V554 | S546-H550 WeakPolarHBondContact O-CB 3.42Å; S546-H550 PolarHBondContact O-N 2.83Å; T547-H550 PolarHBondContact O-N 3.47Å; M548-H550 VanDerWaalsContact C-N 3.31Å; M548-H550 PolarHBondContact O-N 3.49Å; H550-F552 PolarHBondContact O-N 2.95Å; H550-S553 PolarHBondContact O-N 3.21Å; H550-V554 WeakPolarHBondContact O-CG2 3.33Å; H550-V554 PolarHBondContact O-N 2.82Å |
| 551 | E | 97.1 | Very high | 96.9 | Very high | 99 Ų | 99 | 97.4 Ų | 97.4 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -42.9 | 176.2 | -73.2 | 175.8 | -167.4 | 0 | 0 | 112.3 | T547 M548 V554 K555 | T547-E551 WeakPolarHBondContact O-CG 3.5Å; T547-E551 PolarHBondContact O-N 2.96Å; M548-E551 PolarHBondContact O-N 2.92Å; E551-V554 PolarHBondContact O-N 2.9Å; E551-K555 WeakPolarHBondContact O-CG 3.29Å; E551-K555 PolarHBondContact O-N 2.87Å |
| 552 | F | 96.1 | Very high | 97 | Very high | 114 Ų | 114 | 100.6 Ų | 100.6 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 174.6 | -79.6 | -64.6 | 0 | 0 | 0 | 111.4 | M548 E549 H550 V554 K555 E556 | M548-F552 HydrophobicContact CB-CE2 4.48Å; M548-F552 HydrophobicContact CE-CE2 4.19Å; M548-F552 WeakPolarHBondContact O-CD2 3.46Å; M548-F552 PolarHBondContact O-N 3.31Å; E549-F552 PolarHBondContact O-N 2.94Å; H550-F552 PolarHBondContact O-N 2.95Å; F552-V554 VanDerWaalsContact C-N 3.26Å; F552-V554 PolarHBondContact O-N 3.49Å; F552-K555 PolarHBondContact O-N 3.31Å; F552-K555 VanDerWaalsContact O-N 3.1Å; F552-E556 WeakPolarHBondContact O-CG 3.47Å; F552-E556 PolarHBondContact O-N 2.91Å |
| 553 | S | 97.1 | Very high | 97 | Very high | 41 Ų | 41 | 99.9 Ų | 99.9 | 29% | 0.287 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -35.2 | 177 | 178.1 | 0 | 0 | 0 | 0 | 113 | E549 H550 R557 | E549-S553 WeakPolarHBondContact O-CB 3.5Å; E549-S553 PolarHBondContact O-N 3.44Å; H550-S553 PolarHBondContact O-N 3.21Å; S553-R557 WeakPolarHBondContact O-CB 3.33Å; S553-R557 WeakPolarHBondContact O-CG 3.22Å; S553-R557 PolarHBondContact O-N 3.37Å; S553-R557 PolarHBondContact O-NE 2.98Å; S553-R557 VanDerWaalsContact O-NE 3.11Å; S553-R557 PolarHBondContact OG-NE 3.15Å; S553-R557 PolarHBondContact OG-NH2 3.1Å |
| 554 | V | 97.3 | Very high | 97 | Very high | 72 Ų | 72 | 100.4 Ų | 100.4 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.5 | -42.5 | 175 | 171 | 0 | 0 | 0 | 0 | 110.9 | H550 E551 F552 R557 G558 | H550-V554 WeakPolarHBondContact O-CG2 3.33Å; H550-V554 PolarHBondContact O-N 2.82Å; E551-V554 PolarHBondContact O-N 2.9Å; F552-V554 VanDerWaalsContact C-N 3.26Å; F552-V554 PolarHBondContact O-N 3.49Å; V554-R557 PolarHBondContact O-N 3.29Å; V554-G558 PolarHBondContact O-N 3.06Å |
| 555 | K | 97.9 | Very high | 96.9 | Very high | 117 Ų | 117 | 99.4 Ų | 99.4 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 176.8 | -73.9 | 176.3 | -176.4 | 173.8 | 0 | 112.4 | E551 F552 R557 G558 F559 | E551-K555 WeakPolarHBondContact O-CG 3.29Å; E551-K555 PolarHBondContact O-N 2.87Å; F552-K555 PolarHBondContact O-N 3.31Å; F552-K555 VanDerWaalsContact O-N 3.1Å; K555-R557 PolarHBondContact O-N 3.3Å; K555-G558 WeakPolarHBondContact O-CA 3.46Å; K555-G558 PolarHBondContact O-N 3.35Å; K555-G558 VanDerWaalsContact O-N 3.11Å; K555-F559 HydrophobicContact CB-CE2 4.5Å; K555-F559 VanDerWaalsContact O-CD2 3.31Å; K555-F559 WeakPolarHBondContact O-CD2 3.41Å; K555-F559 PolarHBondContact O-N 2.75Å |
| 556 | E | 95.1 | Very high | 97 | Very high | 131 Ų | 131 | 101.4 Ų | 101.4 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.8 | -48.1 | 175.4 | -75 | 175.5 | 167.2 | 0 | 0 | 111.1 | F552 G558 F559 E560 | F552-E556 WeakPolarHBondContact O-CG 3.47Å; F552-E556 PolarHBondContact O-N 2.91Å; E556-G558 VanDerWaalsContact C-N 3.29Å; E556-G558 PolarHBondContact O-N 3.38Å; E556-F559 PolarHBondContact O-N 3.18Å; E556-E560 WeakPolarHBondContact O-CB 3.44Å; E556-E560 PolarHBondContact O-N 2.98Å |
| 557 | R | 96.6 | Very high | 97 | Very high | 131 Ų | 131 | 102.1 Ų | 102.1 | 49% | 0.494 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 173.9 | -79.5 | -178.3 | -86.8 | 165.8 | -12.8 | 112.4 | S553 V554 K555 E560 V561 | S553-R557 WeakPolarHBondContact O-CB 3.33Å; S553-R557 WeakPolarHBondContact O-CG 3.22Å; S553-R557 PolarHBondContact O-N 3.37Å; S553-R557 PolarHBondContact O-NE 2.98Å; S553-R557 VanDerWaalsContact O-NE 3.11Å; S553-R557 PolarHBondContact OG-NE 3.15Å; S553-R557 PolarHBondContact OG-NH2 3.1Å; V554-R557 PolarHBondContact O-N 3.29Å; K555-R557 PolarHBondContact O-N 3.3Å; R557-E560 PolarHBondContact O-N 2.92Å; R557-V561 WeakPolarHBondContact O-CG2 3.35Å; R557-V561 PolarHBondContact O-N 2.98Å |
| 558 | G | 97.6 | Very high | 97 | Very high | 33 Ų | 33 | 101.6 Ų | 101.6 | 34% | 0.34 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V554 K555 E556 V561 Q562 | V554-G558 PolarHBondContact O-N 3.06Å; K555-G558 WeakPolarHBondContact O-CA 3.46Å; K555-G558 PolarHBondContact O-N 3.35Å; K555-G558 VanDerWaalsContact O-N 3.11Å; E556-G558 VanDerWaalsContact C-N 3.29Å; E556-G558 PolarHBondContact O-N 3.38Å; G558-V561 PolarHBondContact O-N 3.29Å; G558-Q562 WeakPolarHBondContact O-CG 3.31Å; G558-Q562 PolarHBondContact O-N 2.79Å |
| 559 | F | 97.2 | Very high | 97 | Very high | 139 Ų | 139 | 100.8 Ų | 100.8 | 61% | 0.61 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.8 | -37.1 | 175.8 | -66.3 | -45.2 | 0 | 0 | 0 | 112.6 | K555 E556 V561 Q562 L563 | K555-F559 HydrophobicContact CB-CE2 4.5Å; K555-F559 VanDerWaalsContact O-CD2 3.31Å; K555-F559 WeakPolarHBondContact O-CD2 3.41Å; K555-F559 PolarHBondContact O-N 2.75Å; E556-F559 PolarHBondContact O-N 3.18Å; F559-V561 VanDerWaalsContact C-N 3.35Å; F559-Q562 PolarHBondContact O-N 3.24Å; F559-L563 WeakPolarHBondContact O-CB 3.26Å; F559-L563 PolarHBondContact O-N 3.44Å |
| 560 | E | 97.8 | Very high | 97.1 | Very high | 106 Ų | 106 | 99.7 Ų | 99.7 | 50% | 0.495 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 176.3 | -167.8 | -174.7 | 170.9 | 0 | 0 | 111.8 | E556 R557 L563 R564 | E556-E560 WeakPolarHBondContact O-CB 3.44Å; E556-E560 PolarHBondContact O-N 2.98Å; R557-E560 PolarHBondContact O-N 2.92Å; E560-L563 PolarHBondContact O-N 2.91Å; E560-R564 WeakPolarHBondContact O-CB 3.33Å; E560-R564 PolarHBondContact O-N 3.26Å; E560-R564 IonicContact OE1-NH2 3.68Å; E560-R564 PolarHBondContact OE1-NH2 3.2Å |
| 561 | V | 97.4 | Very high | 97.1 | Very high | 72 Ų | 72 | 100.3 Ų | 100.3 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 175 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | R557 G558 F559 L563 R564 E565 | R557-V561 WeakPolarHBondContact O-CG2 3.35Å; R557-V561 PolarHBondContact O-N 2.98Å; G558-V561 PolarHBondContact O-N 3.29Å; F559-V561 VanDerWaalsContact C-N 3.35Å; V561-L563 VanDerWaalsContact C-N 3.3Å; V561-L563 PolarHBondContact O-N 2.94Å; V561-R564 WeakPolarHBondContact O-CB 3.43Å; V561-R564 PolarHBondContact O-N 2.98Å; V561-R564 VanDerWaalsContact O-N 3.14Å; V561-E565 HydrophobicContact CG1-CG 4.41Å; V561-E565 WeakPolarHBondContact O-CG 3.06Å; V561-E565 PolarHBondContact O-N 3.3Å |
| 562 | Q | 97.8 | Very high | 97.1 | Very high | 116 Ų | 116 | 100.3 Ų | 100.3 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 177.8 | -73.8 | 178.8 | -6.3 | 0 | 0 | 112.5 | G558 F559 E565 M566 | G558-Q562 WeakPolarHBondContact O-CG 3.31Å; G558-Q562 PolarHBondContact O-N 2.79Å; F559-Q562 PolarHBondContact O-N 3.24Å; Q562-E565 PolarHBondContact O-N 2.93Å; Q562-M566 WeakPolarHBondContact O-CB 3.33Å; Q562-M566 WeakPolarHBondContact O-CG 3.45Å; Q562-M566 PolarHBondContact O-N 3.47Å |
| 563 | L | 96.8 | Very high | 97.1 | Very high | 106 Ų | 106 | 97.3 Ų | 97.3 | 56% | 0.555 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 175.7 | -177.5 | 65.4 | 0 | 0 | 0 | 110.8 | F559 E560 V561 M566 E567 | F559-L563 WeakPolarHBondContact O-CB 3.26Å; F559-L563 PolarHBondContact O-N 3.44Å; E560-L563 PolarHBondContact O-N 2.91Å; V561-L563 VanDerWaalsContact C-N 3.3Å; V561-L563 PolarHBondContact O-N 2.94Å; L563-M566 PolarHBondContact O-N 2.92Å; L563-E567 WeakPolarHBondContact O-CG 3.25Å; L563-E567 PolarHBondContact O-N 3.29Å |
| 564 | R | 97.4 | Very high | 97.1 | Very high | 132 Ų | 132 | 98.6 Ų | 98.6 | 50% | 0.498 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 177.9 | -168.6 | 179.5 | -60 | 170.6 | 4.2 | 112.1 | E560 V561 M566 E567 D568 | E560-R564 WeakPolarHBondContact O-CB 3.33Å; E560-R564 PolarHBondContact O-N 3.26Å; E560-R564 IonicContact OE1-NH2 3.68Å; E560-R564 PolarHBondContact OE1-NH2 3.2Å; V561-R564 WeakPolarHBondContact O-CB 3.43Å; V561-R564 PolarHBondContact O-N 2.98Å; V561-R564 VanDerWaalsContact O-N 3.14Å; R564-M566 VanDerWaalsContact C-N 3.34Å; R564-M566 PolarHBondContact O-N 3.07Å; R564-E567 PolarHBondContact O-N 2.84Å; R564-D568 WeakPolarHBondContact O-CB 3.29Å; R564-D568 VanDerWaalsContact O-CG 3.3Å; R564-D568 PolarHBondContact O-N 2.83Å |
| 565 | E | 96.6 | Very high | 97.2 | Very high | 123 Ų | 123 | 99.7 Ų | 99.7 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.2 | -42.5 | 175.8 | -72.4 | 174 | 173 | 0 | 0 | 111.9 | V561 Q562 D568 S569 | V561-E565 HydrophobicContact CG1-CG 4.41Å; V561-E565 WeakPolarHBondContact O-CG 3.06Å; V561-E565 PolarHBondContact O-N 3.3Å; Q562-E565 PolarHBondContact O-N 2.93Å; E565-D568 PolarHBondContact O-N 3.5Å; E565-S569 WeakPolarHBondContact O-CB 3.48Å; E565-S569 PolarHBondContact O-N 3.45Å |
| 566 | M | 97.4 | Very high | 97.1 | Very high | 132 Ų | 132 | 100.4 Ų | 100.4 | 65% | 0.65 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.8 | -42.5 | 174.8 | -77.8 | -63.2 | -55.2 | 0 | 0 | 112.3 | Q562 L563 R564 N570 | Q562-M566 WeakPolarHBondContact O-CB 3.33Å; Q562-M566 WeakPolarHBondContact O-CG 3.45Å; Q562-M566 PolarHBondContact O-N 3.47Å; L563-M566 PolarHBondContact O-N 2.92Å; R564-M566 VanDerWaalsContact C-N 3.34Å; R564-M566 PolarHBondContact O-N 3.07Å; M566-N570 WeakPolarHBondContact O-CB 3.45Å; M566-N570 PolarHBondContact O-N 3.39Å |
| 567 | E | 97 | Very high | 97.3 | Very high | 81 Ų | 81 | 99.7 Ų | 99.7 | 38% | 0.379 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 174.8 | -76.8 | -175.1 | -176.2 | 0 | 0 | 111.9 | L563 R564 N570 R571 | L563-E567 WeakPolarHBondContact O-CG 3.25Å; L563-E567 PolarHBondContact O-N 3.29Å; R564-E567 PolarHBondContact O-N 2.84Å; E567-N570 PolarHBondContact O-N 3.39Å; E567-R571 WeakPolarHBondContact O-CB 3.49Å; E567-R571 VanDerWaalsContact O-CG 3.3Å; E567-R571 WeakPolarHBondContact O-CG 3.39Å; E567-R571 PolarHBondContact O-N 3.09Å; E567-R571 IonicContact OE2-CZ 3.44Å; E567-R571 IonicContact OE2-NH1 2.79Å; E567-R571 IonicContact OE2-NH2 2.93Å; E567-R571 PolarHBondContact OE2-NH2 3.31Å |
| 568 | D | 97.4 | Very high | 97.3 | Very high | 66 Ų | 66 | 102.1 Ų | 102.1 | 35% | 0.353 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | -179.6 | -72 | -19.8 | 0 | 0 | 0 | 111.4 | R564 E565 N570 R571 N572 | R564-D568 WeakPolarHBondContact O-CB 3.29Å; R564-D568 VanDerWaalsContact O-CG 3.3Å; R564-D568 PolarHBondContact O-N 2.83Å; E565-D568 PolarHBondContact O-N 3.5Å; D568-N570 PolarHBondContact O-N 2.88Å; D568-R571 PolarHBondContact O-N 3.09Å; D568-R571 IonicContact OD1-CZ 3.57Å; D568-R571 IonicContact OD1-NH1 2.99Å; D568-R571 PolarHBondContact OD1-NH1 3.26Å; D568-N572 WeakPolarHBondContact O-CB 3.37Å; D568-N572 PolarHBondContact O-N 2.91Å; D568-N572 PolarHBondContact O-ND2 3.42Å |
| 569 | S | 97.1 | Very high | 97.3 | Very high | 67 Ų | 67 | 106.3 Ų | 106.3 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 171.5 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | E565 N572 S573 | E565-S569 WeakPolarHBondContact O-CB 3.48Å; E565-S569 PolarHBondContact O-N 3.45Å; S569-N572 PolarHBondContact O-N 3.29Å; S569-S573 PolarHBondContact O-N 3.17Å; S569-S573 PolarHBondContact O-OG 3.04Å |
| 570 | N | 96 | Very high | 97.3 | Very high | 97 Ų | 97 | 104 Ų | 104 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 177.3 | -173.7 | 33.3 | 0 | 0 | 0 | 112 | M566 E567 D568 N572 S573 I574 | M566-N570 WeakPolarHBondContact O-CB 3.45Å; M566-N570 PolarHBondContact O-N 3.39Å; E567-N570 PolarHBondContact O-N 3.39Å; D568-N570 PolarHBondContact O-N 2.88Å; N570-N572 VanDerWaalsContact C-N 3.31Å; N570-N572 PolarHBondContact O-N 2.95Å; N570-S573 PolarHBondContact O-N 2.92Å; N570-I574 VanDerWaalsContact O-CG1 3.26Å; N570-I574 WeakPolarHBondContact O-CG1 3.48Å; N570-I574 PolarHBondContact O-N 3.36Å |
| 571 | R | 97.9 | Very high | 97.3 | Very high | 131 Ų | 131 | 104.2 Ų | 104.2 | 49% | 0.494 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.4 | -45.2 | 173.5 | -77 | 175.4 | -171.2 | 131.3 | 11.2 | 110.9 | E567 D568 I574 V575 | E567-R571 WeakPolarHBondContact O-CB 3.49Å; E567-R571 VanDerWaalsContact O-CG 3.3Å; E567-R571 WeakPolarHBondContact O-CG 3.39Å; E567-R571 PolarHBondContact O-N 3.09Å; E567-R571 IonicContact OE2-CZ 3.44Å; E567-R571 IonicContact OE2-NH1 2.79Å; E567-R571 IonicContact OE2-NH2 2.93Å; E567-R571 PolarHBondContact OE2-NH2 3.31Å; D568-R571 PolarHBondContact O-N 3.09Å; D568-R571 IonicContact OD1-CZ 3.57Å; D568-R571 IonicContact OD1-NH1 2.99Å; D568-R571 PolarHBondContact OD1-NH1 3.26Å; R571-I574 PolarHBondContact O-N 3.2Å; R571-V575 WeakPolarHBondContact O-CG2 3.32Å; R571-V575 PolarHBondContact O-N 3.49Å |
| 572 | N | 97.8 | Very high | 97.4 | Very high | 99 Ų | 99 | 105.6 Ų | 105.6 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 177.6 | -69.6 | -18.1 | 0 | 0 | 0 | 111.5 | D568 S569 N570 I574 V575 E576 | D568-N572 WeakPolarHBondContact O-CB 3.37Å; D568-N572 PolarHBondContact O-N 2.91Å; D568-N572 PolarHBondContact O-ND2 3.42Å; S569-N572 PolarHBondContact O-N 3.29Å; N570-N572 VanDerWaalsContact C-N 3.31Å; N570-N572 PolarHBondContact O-N 2.95Å; N572-I574 VanDerWaalsContact C-N 3.31Å; N572-I574 PolarHBondContact O-N 3Å; N572-V575 WeakPolarHBondContact O-CB 3.35Å; N572-V575 PolarHBondContact O-N 3.46Å; N572-V575 VanDerWaalsContact O-N 3.09Å; N572-E576 WeakPolarHBondContact O-CG 3.37Å; N572-E576 PolarHBondContact O-N 2.92Å |
| 573 | S | 96.3 | Very high | 97.3 | Very high | 51 Ų | 51 | 102.7 Ų | 102.7 | 36% | 0.357 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 176 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | S569 N570 V575 E576 L577 | S569-S573 PolarHBondContact O-N 3.17Å; S569-S573 PolarHBondContact O-OG 3.04Å; N570-S573 PolarHBondContact O-N 2.92Å; S573-V575 VanDerWaalsContact C-N 3.35Å; S573-E576 PolarHBondContact O-N 3.28Å; S573-L577 WeakPolarHBondContact O-CB 3.41Å; S573-L577 VanDerWaalsContact O-CG 3.28Å; S573-L577 WeakPolarHBondContact O-CG 3.27Å; S573-L577 PolarHBondContact O-N 3.46Å |
| 574 | I | 97.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 103.2 Ų | 103.2 | 35% | 0.354 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 174.5 | -70.2 | 165.4 | 0 | 0 | 0 | 110.9 | N570 R571 N572 L577 R578 | N570-I574 VanDerWaalsContact O-CG1 3.26Å; N570-I574 WeakPolarHBondContact O-CG1 3.48Å; N570-I574 PolarHBondContact O-N 3.36Å; R571-I574 PolarHBondContact O-N 3.2Å; N572-I574 VanDerWaalsContact C-N 3.31Å; N572-I574 PolarHBondContact O-N 3Å; I574-L577 PolarHBondContact O-N 3.48Å; I574-R578 WeakPolarHBondContact O-CB 3.3Å; I574-R578 VanDerWaalsContact O-CG 3.28Å; I574-R578 WeakPolarHBondContact O-CG 3.43Å; I574-R578 PolarHBondContact O-N 3.23Å |
| 575 | V | 97.8 | Very high | 97.3 | Very high | 95 Ų | 95 | 102.1 Ų | 102.1 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 176.8 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | R571 N572 S573 R578 H579 | R571-V575 WeakPolarHBondContact O-CG2 3.32Å; R571-V575 PolarHBondContact O-N 3.49Å; N572-V575 WeakPolarHBondContact O-CB 3.35Å; N572-V575 PolarHBondContact O-N 3.46Å; N572-V575 VanDerWaalsContact O-N 3.09Å; S573-V575 VanDerWaalsContact C-N 3.35Å; V575-R578 PolarHBondContact O-N 2.83Å; V575-H579 WeakPolarHBondContact O-CB 3.39Å; V575-H579 PolarHBondContact O-N 3.21Å |
| 576 | E | 97.4 | Very high | 97.3 | Very high | 132 Ų | 132 | 101.4 Ų | 101.4 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 176.9 | -71.7 | 175 | -178.8 | 0 | 0 | 112.2 | N572 S573 R578 H579 L580 | N572-E576 WeakPolarHBondContact O-CG 3.37Å; N572-E576 PolarHBondContact O-N 2.92Å; S573-E576 PolarHBondContact O-N 3.28Å; E576-R578 PolarHBondContact O-N 2.69Å; E576-H579 WeakPolarHBondContact O-CB 3.39Å; E576-H579 PolarHBondContact O-N 2.62Å; E576-L580 PolarHBondContact O-N 2.82Å |
| 577 | L | 97.4 | Very high | 97.3 | Very high | 116 Ų | 116 | 96.9 Ų | 96.9 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.3 | -40.7 | 176.7 | -73.8 | 174.5 | 0 | 0 | 0 | 112.1 | S573 I574 H579 L580 L581 | S573-L577 WeakPolarHBondContact O-CB 3.41Å; S573-L577 VanDerWaalsContact O-CG 3.28Å; S573-L577 WeakPolarHBondContact O-CG 3.27Å; S573-L577 PolarHBondContact O-N 3.46Å; I574-L577 PolarHBondContact O-N 3.48Å; L577-H579 VanDerWaalsContact C-N 3.34Å; L577-L580 PolarHBondContact O-N 3.41Å; L577-L581 WeakPolarHBondContact O-CB 3.4Å; L577-L581 PolarHBondContact O-N 2.94Å |
| 578 | R | 97.6 | Very high | 97.2 | Very high | 182 Ų | 182 | 95.4 Ų | 95.4 | 69% | 0.687 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 174 | -76.8 | 178.8 | -176.8 | -150.8 | 2.4 | 111.4 | I574 V575 E576 L581 E582 | I574-R578 WeakPolarHBondContact O-CB 3.3Å; I574-R578 VanDerWaalsContact O-CG 3.28Å; I574-R578 WeakPolarHBondContact O-CG 3.43Å; I574-R578 PolarHBondContact O-N 3.23Å; V575-R578 PolarHBondContact O-N 2.83Å; E576-R578 PolarHBondContact O-N 2.69Å; R578-L581 PolarHBondContact O-N 3.28Å; R578-E582 WeakPolarHBondContact O-CB 3.37Å; R578-E582 PolarHBondContact O-N 3.39Å |
| 579 | H | 97.9 | Very high | 97.2 | Very high | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 176.2 | -176.6 | 63.6 | 0 | 0 | 0 | 111.2 | V575 E576 L577 L581 E582 T583 | V575-H579 WeakPolarHBondContact O-CB 3.39Å; V575-H579 PolarHBondContact O-N 3.21Å; E576-H579 WeakPolarHBondContact O-CB 3.39Å; E576-H579 PolarHBondContact O-N 2.62Å; L577-H579 VanDerWaalsContact C-N 3.34Å; H579-L581 VanDerWaalsContact C-N 3.34Å; H579-L581 PolarHBondContact O-N 3.3Å; H579-E582 PolarHBondContact O-N 2.85Å; H579-T583 WeakPolarHBondContact O-CG2 3.48Å; H579-T583 PolarHBondContact O-N 2.99Å; H579-T583 PolarHBondContact O-OG1 3.4Å |
| 580 | L | 97.9 | Very high | 97.2 | Very high | 91 Ų | 91 | 101.5 Ų | 101.5 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 177 | -174.8 | 65.1 | 0 | 0 | 0 | 111.3 | E576 L577 E582 T583 Q584 | E576-L580 PolarHBondContact O-N 2.82Å; L577-L580 PolarHBondContact O-N 3.41Å; L580-E582 VanDerWaalsContact C-N 3.33Å; L580-E582 PolarHBondContact O-N 2.9Å; L580-T583 WeakPolarHBondContact CA-OG1 3.35Å; L580-T583 PolarHBondContact O-N 2.95Å; L580-T583 PolarHBondContact O-OG1 3.43Å; L580-Q584 PolarHBondContact O-N 3.29Å |
| 581 | L | 97.7 | Very high | 97.2 | Very high | 111 Ų | 111 | 105 Ų | 105 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -43.2 | 176 | -176.5 | 66 | 0 | 0 | 0 | 111.8 | L577 R578 H579 T583 Q584 Q585 | L577-L581 WeakPolarHBondContact O-CB 3.4Å; L577-L581 PolarHBondContact O-N 2.94Å; R578-L581 PolarHBondContact O-N 3.28Å; H579-L581 VanDerWaalsContact C-N 3.34Å; H579-L581 PolarHBondContact O-N 3.3Å; L581-T583 PolarHBondContact O-N 2.84Å; L581-Q584 PolarHBondContact O-N 2.95Å; L581-Q585 WeakPolarHBondContact O-CB 3.39Å; L581-Q585 PolarHBondContact O-N 2.84Å |
| 582 | E | 97.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 106.2 Ų | 106.2 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 177.2 | -165 | -171.3 | 157.3 | 0 | 0 | 111.7 | R578 H579 L580 Q585 K586 | R578-E582 WeakPolarHBondContact O-CB 3.37Å; R578-E582 PolarHBondContact O-N 3.39Å; H579-E582 PolarHBondContact O-N 2.85Å; L580-E582 VanDerWaalsContact C-N 3.33Å; L580-E582 PolarHBondContact O-N 2.9Å; E582-Q585 PolarHBondContact O-N 3Å; E582-K586 HydrophobicContact CG-CD 4.47Å; E582-K586 WeakPolarHBondContact O-CB 3.35Å; E582-K586 WeakPolarHBondContact O-CG 3.44Å; E582-K586 PolarHBondContact O-N 2.7Å; E582-K586 VanDerWaalsContact OE1-CE 3.31Å; E582-K586 WeakPolarHBondContact OE1-CE 3.3Å; E582-K586 IonicContact OE1-NZ 2.72Å; E582-K586 PolarHBondContact OE1-NZ 3.5Å |
| 583 | T | 96.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 105.6 Ų | 105.6 | 34% | 0.344 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 175.7 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | H579 L580 L581 K586 A587 | H579-T583 WeakPolarHBondContact O-CG2 3.48Å; H579-T583 PolarHBondContact O-N 2.99Å; H579-T583 PolarHBondContact O-OG1 3.4Å; L580-T583 WeakPolarHBondContact CA-OG1 3.35Å; L580-T583 PolarHBondContact O-N 2.95Å; L580-T583 PolarHBondContact O-OG1 3.43Å; L581-T583 PolarHBondContact O-N 2.84Å; T583-K586 PolarHBondContact O-N 2.88Å; T583-A587 WeakPolarHBondContact O-CB 3.34Å; T583-A587 PolarHBondContact O-N 3.08Å |
| 584 | Q | 96.6 | Very high | 97.2 | Very high | 117 Ų | 117 | 107.8 Ų | 107.8 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 174.1 | -76.1 | -170.6 | 0.7 | 0 | 0 | 111.4 | L580 L581 K586 A587 A588 | L580-Q584 PolarHBondContact O-N 3.29Å; L581-Q584 PolarHBondContact O-N 2.95Å; Q584-K586 VanDerWaalsContact C-N 3.33Å; Q584-K586 PolarHBondContact O-N 2.65Å; Q584-A587 PolarHBondContact O-N 3.03Å; Q584-A588 WeakPolarHBondContact O-CB 3.44Å; Q584-A588 PolarHBondContact O-N 3.46Å |
| 585 | Q | 96.8 | Very high | 97.1 | Very high | 108 Ų | 108 | 108 Ų | 108 | 51% | 0.505 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 177.1 | -171.4 | 65.5 | 28.2 | 0 | 0 | 111.5 | L581 E582 A588 N589 | L581-Q585 WeakPolarHBondContact O-CB 3.39Å; L581-Q585 PolarHBondContact O-N 2.84Å; E582-Q585 PolarHBondContact O-N 3Å; Q585-A588 PolarHBondContact O-N 2.91Å; Q585-N589 WeakPolarHBondContact O-CB 3.4Å; Q585-N589 PolarHBondContact O-N 3.38Å; Q585-N589 PolarHBondContact O-ND2 3.28Å |
| 586 | K | 97.7 | Very high | 97.1 | Very high | 108 Ų | 108 | 108.7 Ų | 108.7 | 47% | 0.47 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.8 | -78.3 | 170.4 | 174.9 | 164.3 | 0 | 111.7 | E582 T583 Q584 N589 R590 | E582-K586 HydrophobicContact CG-CD 4.47Å; E582-K586 WeakPolarHBondContact O-CB 3.35Å; E582-K586 WeakPolarHBondContact O-CG 3.44Å; E582-K586 PolarHBondContact O-N 2.7Å; E582-K586 VanDerWaalsContact OE1-CE 3.31Å; E582-K586 WeakPolarHBondContact OE1-CE 3.3Å; E582-K586 IonicContact OE1-NZ 2.72Å; E582-K586 PolarHBondContact OE1-NZ 3.5Å; T583-K586 PolarHBondContact O-N 2.88Å; Q584-K586 VanDerWaalsContact C-N 3.33Å; Q584-K586 PolarHBondContact O-N 2.65Å; K586-N589 PolarHBondContact O-N 2.88Å; K586-R590 WeakPolarHBondContact O-CG 3.44Å; K586-R590 PolarHBondContact O-N 3.16Å; K586-R590 VanDerWaalsContact O-N 3.08Å |
| 587 | A | 96.3 | Very high | 97.1 | Very high | 38 Ų | 38 | 108 Ų | 108 | 31% | 0.314 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T583 Q584 N589 R590 W591 | T583-A587 WeakPolarHBondContact O-CB 3.34Å; T583-A587 PolarHBondContact O-N 3.08Å; Q584-A587 PolarHBondContact O-N 3.03Å; A587-N589 VanDerWaalsContact C-N 3.31Å; A587-N589 PolarHBondContact O-N 2.87Å; A587-R590 WeakPolarHBondContact O-CB 3.33Å; A587-R590 PolarHBondContact O-N 3.14Å; A587-W591 PolarHBondContact O-N 3.43Å |
| 588 | A | 96.3 | Very high | 97 | Very high | 50 Ų | 50 | 108.4 Ų | 108.4 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q584 Q585 R590 W591 K592 | Q584-A588 WeakPolarHBondContact O-CB 3.44Å; Q584-A588 PolarHBondContact O-N 3.46Å; Q585-A588 PolarHBondContact O-N 2.91Å; A588-R590 VanDerWaalsContact C-N 3.34Å; A588-R590 PolarHBondContact O-N 2.89Å; A588-W591 PolarHBondContact O-N 3.42Å; A588-K592 WeakPolarHBondContact O-CB 3.49Å; A588-K592 PolarHBondContact O-N 3.3Å |
| 589 | N | 96.7 | Very high | 97 | Very high | 85 Ų | 85 | 103.3 Ų | 103.3 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 174.7 | -72.8 | -17.8 | 0 | 0 | 0 | 112.2 | Q585 K586 A587 K592 E593 | Q585-N589 WeakPolarHBondContact O-CB 3.4Å; Q585-N589 PolarHBondContact O-N 3.38Å; Q585-N589 PolarHBondContact O-ND2 3.28Å; K586-N589 PolarHBondContact O-N 2.88Å; A587-N589 VanDerWaalsContact C-N 3.31Å; A587-N589 PolarHBondContact O-N 2.87Å; N589-K592 PolarHBondContact O-N 2.98Å; N589-E593 PolarHBondContact O-N 2.93Å |
| 590 | R | 97 | Very high | 96.9 | Very high | 175 Ų | 175 | 101.8 Ų | 101.8 | 66% | 0.66 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -49.3 | 174.8 | -70.9 | 174.5 | -174.3 | 174.1 | 1.2 | 111.6 | K586 A587 A588 K592 E593 E594 | K586-R590 WeakPolarHBondContact O-CG 3.44Å; K586-R590 PolarHBondContact O-N 3.16Å; K586-R590 VanDerWaalsContact O-N 3.08Å; A587-R590 WeakPolarHBondContact O-CB 3.33Å; A587-R590 PolarHBondContact O-N 3.14Å; A588-R590 VanDerWaalsContact C-N 3.34Å; A588-R590 PolarHBondContact O-N 2.89Å; R590-K592 VanDerWaalsContact C-N 3.29Å; R590-K592 PolarHBondContact O-N 3.44Å; R590-E593 PolarHBondContact O-N 3.28Å; R590-E593 VanDerWaalsContact O-N 3.1Å; R590-E594 WeakPolarHBondContact O-CG 3.33Å; R590-E594 PolarHBondContact O-N 3.29Å |
| 591 | W | 96.1 | Very high | 96.9 | Very high | 172 Ų | 172 | 101 Ų | 101 | 65% | 0.652 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.4 | -40.7 | 176.6 | -73 | 113.7 | 0 | 0 | 0 | 112.2 | A587 A588 E593 E594 T595 | A587-W591 PolarHBondContact O-N 3.43Å; A588-W591 PolarHBondContact O-N 3.42Å; W591-E593 VanDerWaalsContact C-N 3.31Å; W591-E593 PolarHBondContact O-N 2.93Å; W591-E594 PolarHBondContact O-N 3.46Å; W591-T595 WeakPolarHBondContact O-CB 3.44Å; W591-T595 VanDerWaalsContact O-CG2 3.25Å; W591-T595 WeakPolarHBondContact O-CG2 3.47Å; W591-T595 PolarHBondContact O-N 3.14Å; W591-T595 PolarHBondContact O-OG1 3.12Å |
| 592 | K | 97.7 | Very high | 96.8 | Very high | 155 Ų | 155 | 98 Ų | 98 | 67% | 0.674 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.4 | -40 | 175.2 | -172.2 | 178.9 | 179.3 | -179.1 | 0 | 112.1 | A588 N589 R590 T595 K596 | A588-K592 WeakPolarHBondContact O-CB 3.49Å; A588-K592 PolarHBondContact O-N 3.3Å; N589-K592 PolarHBondContact O-N 2.98Å; R590-K592 VanDerWaalsContact C-N 3.29Å; R590-K592 PolarHBondContact O-N 3.44Å; K592-T595 WeakPolarHBondContact CA-OG1 3.38Å; K592-T595 PolarHBondContact O-OG1 2.87Å; K592-K596 VanDerWaalsContact O-CB 3.27Å; K592-K596 WeakPolarHBondContact O-CB 3.46Å; K592-K596 PolarHBondContact O-N 3.37Å |
| 593 | E | 96.8 | Very high | 96.8 | Very high | 86 Ų | 86 | 98.5 Ų | 98.5 | 40% | 0.402 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.2 | -39.9 | 178.4 | -171.1 | 60.9 | -161.8 | 0 | 0 | 112.2 | N589 R590 W591 K596 K597 | N589-E593 PolarHBondContact O-N 2.93Å; R590-E593 PolarHBondContact O-N 3.28Å; R590-E593 VanDerWaalsContact O-N 3.1Å; W591-E593 VanDerWaalsContact C-N 3.31Å; W591-E593 PolarHBondContact O-N 2.93Å; E593-K596 PolarHBondContact O-N 2.8Å; E593-K597 WeakPolarHBondContact O-CG 3.42Å; E593-K597 PolarHBondContact O-N 2.84Å; E593-K597 WeakPolarHBondContact OE1-CE 3.36Å |
| 594 | E | 96.7 | Very high | 96.8 | Very high | 97 Ų | 97 | 100.8 Ų | 100.8 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 175.4 | -74 | 177.5 | -171.4 | 0 | 0 | 111.9 | R590 W591 K596 K597 L598 | R590-E594 WeakPolarHBondContact O-CG 3.33Å; R590-E594 PolarHBondContact O-N 3.29Å; W591-E594 PolarHBondContact O-N 3.46Å; E594-K596 VanDerWaalsContact C-N 3.32Å; E594-K596 PolarHBondContact O-N 3.46Å; E594-K597 PolarHBondContact O-N 2.91Å; E594-L598 WeakPolarHBondContact O-CB 3.38Å; E594-L598 WeakPolarHBondContact O-CG 3.31Å; E594-L598 PolarHBondContact O-N 3.48Å |
| 595 | T | 96 | Very high | 96.9 | Very high | 75 Ų | 75 | 103.9 Ų | 103.9 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 175.3 | 49.6 | 0 | 0 | 0 | 0 | 111.5 | W591 K592 L598 T599 | W591-T595 WeakPolarHBondContact O-CB 3.44Å; W591-T595 VanDerWaalsContact O-CG2 3.25Å; W591-T595 WeakPolarHBondContact O-CG2 3.47Å; W591-T595 PolarHBondContact O-N 3.14Å; W591-T595 PolarHBondContact O-OG1 3.12Å; K592-T595 WeakPolarHBondContact CA-OG1 3.38Å; K592-T595 PolarHBondContact O-OG1 2.87Å; T595-L598 PolarHBondContact O-N 3.37Å; T595-T599 WeakPolarHBondContact O-CB 3.45Å; T595-T599 PolarHBondContact O-N 3.34Å; T595-T599 PolarHBondContact O-OG1 2.94Å |
| 596 | K | 97.6 | Very high | 96.8 | Very high | 108 Ų | 108 | 102.8 Ų | 102.8 | 47% | 0.47 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 173.3 | -174 | -176.3 | 176.3 | -158 | 0 | 111.7 | K592 E593 E594 L598 T599 E600 | K592-K596 VanDerWaalsContact O-CB 3.27Å; K592-K596 WeakPolarHBondContact O-CB 3.46Å; K592-K596 PolarHBondContact O-N 3.37Å; E593-K596 PolarHBondContact O-N 2.8Å; E594-K596 VanDerWaalsContact C-N 3.32Å; E594-K596 PolarHBondContact O-N 3.46Å; K596-L598 PolarHBondContact O-N 3.45Å; K596-T599 WeakPolarHBondContact O-CB 3.48Å; K596-T599 PolarHBondContact O-N 2.92Å; K596-E600 WeakPolarHBondContact CE-OE1 3.35Å; K596-E600 IonicContact NZ-OE1 3.39Å; K596-E600 WeakPolarHBondContact O-CG 3.46Å; K596-E600 PolarHBondContact O-N 2.98Å |
| 597 | K | 97.6 | Very high | 96.8 | Very high | 118 Ų | 118 | 102 Ų | 102 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 178.2 | -74.6 | 173.2 | -179.1 | 175.8 | 0 | 113 | E593 E594 T599 S601 | E593-K597 WeakPolarHBondContact O-CG 3.42Å; E593-K597 PolarHBondContact O-N 2.84Å; E593-K597 WeakPolarHBondContact OE1-CE 3.36Å; E594-K597 PolarHBondContact O-N 2.91Å; K597-T599 VanDerWaalsContact C-N 3.34Å; K597-S601 VanDerWaalsContact O-CB 3.31Å; K597-S601 WeakPolarHBondContact O-CB 3.46Å; K597-S601 PolarHBondContact O-N 3.37Å |
| 598 | L | 96 | Very high | 96.9 | Very high | 125 Ų | 125 | 104.9 Ų | 104.9 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -41.1 | 176.2 | -74.1 | 172.7 | 0 | 0 | 0 | 111.4 | E594 T595 K596 S601 A602 | E594-L598 WeakPolarHBondContact O-CB 3.38Å; E594-L598 WeakPolarHBondContact O-CG 3.31Å; E594-L598 PolarHBondContact O-N 3.48Å; T595-L598 PolarHBondContact O-N 3.37Å; K596-L598 PolarHBondContact O-N 3.45Å; L598-S601 PolarHBondContact O-N 3.32Å; L598-A602 WeakPolarHBondContact O-CB 3.45Å; L598-A602 PolarHBondContact O-N 3.47Å |
| 599 | T | 96.8 | Very high | 96.9 | Very high | 75 Ų | 75 | 107.7 Ų | 107.7 | 46% | 0.46 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 176.7 | -53.2 | 0 | 0 | 0 | 0 | 110.6 | T595 K596 K597 S601 A602 E603 | T595-T599 WeakPolarHBondContact O-CB 3.45Å; T595-T599 PolarHBondContact O-N 3.34Å; T595-T599 PolarHBondContact O-OG1 2.94Å; K596-T599 WeakPolarHBondContact O-CB 3.48Å; K596-T599 PolarHBondContact O-N 2.92Å; K597-T599 VanDerWaalsContact C-N 3.34Å; T599-S601 VanDerWaalsContact C-N 3.34Å; T599-S601 PolarHBondContact O-N 2.93Å; T599-A602 PolarHBondContact O-N 3.19Å; T599-E603 WeakPolarHBondContact O-CB 3.43Å; T599-E603 WeakPolarHBondContact O-CG 3.44Å; T599-E603 PolarHBondContact O-N 2.79Å |
| 600 | E | 97 | Very high | 96.9 | Very high | 87 Ų | 87 | 109.5 Ų | 109.5 | 41% | 0.407 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 176.3 | -72.1 | 172.8 | 172 | 0 | 0 | 111.7 | K596 E603 I604 | K596-E600 WeakPolarHBondContact CE-OE1 3.35Å; K596-E600 IonicContact NZ-OE1 3.39Å; K596-E600 WeakPolarHBondContact O-CG 3.46Å; K596-E600 PolarHBondContact O-N 2.98Å; E600-E603 PolarHBondContact O-N 3.39Å; E600-I604 WeakPolarHBondContact O-CD1 3.44Å; E600-I604 VanDerWaalsContact O-CG1 3.27Å; E600-I604 WeakPolarHBondContact O-CG1 3.43Å; E600-I604 PolarHBondContact O-N 3.22Å |
| 601 | S | 97.7 | Very high | 96.9 | Very high | 75 Ų | 75 | 104.5 Ų | 104.5 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 176.7 | -177 | 0 | 0 | 0 | 0 | 112.5 | K597 L598 T599 I604 R605 | K597-S601 VanDerWaalsContact O-CB 3.31Å; K597-S601 WeakPolarHBondContact O-CB 3.46Å; K597-S601 PolarHBondContact O-N 3.37Å; L598-S601 PolarHBondContact O-N 3.32Å; T599-S601 VanDerWaalsContact C-N 3.34Å; T599-S601 PolarHBondContact O-N 2.93Å; S601-I604 PolarHBondContact O-N 3.14Å; S601-R605 PolarHBondContact O-N 3.04Å |
| 602 | A | 95.3 | Very high | 97 | Very high | 47 Ų | 47 | 99.5 Ų | 99.5 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L598 T599 R605 I606 | L598-A602 WeakPolarHBondContact O-CB 3.45Å; L598-A602 PolarHBondContact O-N 3.47Å; T599-A602 PolarHBondContact O-N 3.19Å; A602-R605 PolarHBondContact O-N 3.08Å; A602-I606 WeakPolarHBondContact O-CB 3.44Å; A602-I606 VanDerWaalsContact O-CG1 3.28Å; A602-I606 WeakPolarHBondContact O-CG1 3.35Å; A602-I606 PolarHBondContact O-N 3.49Å |
| 603 | E | 97.1 | Very high | 96.9 | Very high | 112 Ų | 112 | 96.7 Ų | 96.7 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 174.9 | -76.5 | 179.1 | -179 | 0 | 0 | 111.8 | T599 E600 R605 I606 N607 | T599-E603 WeakPolarHBondContact O-CB 3.43Å; T599-E603 WeakPolarHBondContact O-CG 3.44Å; T599-E603 PolarHBondContact O-N 2.79Å; E600-E603 PolarHBondContact O-N 3.39Å; E603-R605 VanDerWaalsContact C-N 3.33Å; E603-R605 PolarHBondContact O-N 2.86Å; E603-I606 PolarHBondContact O-N 3.33Å; E603-N607 WeakPolarHBondContact O-CB 3.43Å; E603-N607 VanDerWaalsContact O-CG 3.26Å; E603-N607 PolarHBondContact O-N 2.93Å; E603-N607 PolarHBondContact O-ND2 2.95Å |
| 604 | I | 97.4 | Very high | 96.9 | Very high | 104 Ų | 104 | 96.1 Ų | 96.1 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 174.2 | -70.1 | 160.5 | 0 | 0 | 0 | 110.4 | E600 S601 N607 N608 | E600-I604 WeakPolarHBondContact O-CD1 3.44Å; E600-I604 VanDerWaalsContact O-CG1 3.27Å; E600-I604 WeakPolarHBondContact O-CG1 3.43Å; E600-I604 PolarHBondContact O-N 3.22Å; S601-I604 PolarHBondContact O-N 3.14Å; I604-N607 PolarHBondContact O-N 3.46Å; I604-N608 VanDerWaalsContact O-CG 3.28Å; I604-N608 PolarHBondContact O-N 3.25Å; I604-N608 PolarHBondContact O-ND2 3.43Å |
| 605 | R | 97.4 | Very high | 96.9 | Very high | 181 Ų | 181 | 98.8 Ų | 98.8 | 68% | 0.683 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -42.8 | 179.3 | -170.7 | 175 | -176.1 | 171 | 1 | 112.2 | S601 A602 E603 N607 N608 L609 | S601-R605 PolarHBondContact O-N 3.04Å; A602-R605 PolarHBondContact O-N 3.08Å; E603-R605 VanDerWaalsContact C-N 3.33Å; E603-R605 PolarHBondContact O-N 2.86Å; R605-N607 VanDerWaalsContact C-N 3.33Å; R605-N608 PolarHBondContact O-N 3.4Å; R605-L609 HydrophobicContact CG-CD1 4.4Å; R605-L609 WeakPolarHBondContact O-CG 3.35Å; R605-L609 PolarHBondContact O-N 2.89Å |
| 606 | I | 96.6 | Very high | 96.9 | Very high | 85 Ų | 85 | 99.2 Ų | 99.2 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -44.5 | 175.6 | -72.6 | 167.1 | 0 | 0 | 0 | 110.2 | A602 E603 N608 L609 K610 | A602-I606 WeakPolarHBondContact O-CB 3.44Å; A602-I606 VanDerWaalsContact O-CG1 3.28Å; A602-I606 WeakPolarHBondContact O-CG1 3.35Å; A602-I606 PolarHBondContact O-N 3.49Å; E603-I606 PolarHBondContact O-N 3.33Å; I606-N608 PolarHBondContact O-N 3.1Å; I606-L609 PolarHBondContact O-N 3.46Å; I606-K610 HydrophobicContact CG2-CD 4.07Å; I606-K610 HydrophobicContact CG2-CG 4.41Å; I606-K610 WeakPolarHBondContact O-CB 3.36Å; I606-K610 WeakPolarHBondContact O-CG 3.33Å; I606-K610 PolarHBondContact O-N 3.37Å |
| 607 | N | 97.5 | Very high | 96.8 | Very high | 93 Ų | 93 | 100.4 Ų | 100.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 178.8 | -72.2 | -26 | 0 | 0 | 0 | 111.9 | E603 I604 R605 K610 S611 | E603-N607 WeakPolarHBondContact O-CB 3.43Å; E603-N607 VanDerWaalsContact O-CG 3.26Å; E603-N607 PolarHBondContact O-N 2.93Å; E603-N607 PolarHBondContact O-ND2 2.95Å; I604-N607 PolarHBondContact O-N 3.46Å; R605-N607 VanDerWaalsContact C-N 3.33Å; N607-K610 PolarHBondContact O-N 2.85Å; N607-S611 PolarHBondContact O-N 3.28Å; N607-S611 PolarHBondContact O-OG 3.38Å |
| 608 | N | 97.4 | Very high | 96.8 | Very high | 97 Ų | 97 | 100.4 Ų | 100.4 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 173.4 | -69.7 | -16.6 | 0 | 0 | 0 | 112.3 | I604 R605 I606 K610 S611 E612 | I604-N608 VanDerWaalsContact O-CG 3.28Å; I604-N608 PolarHBondContact O-N 3.25Å; I604-N608 PolarHBondContact O-ND2 3.43Å; R605-N608 PolarHBondContact O-N 3.4Å; I606-N608 PolarHBondContact O-N 3.1Å; N608-K610 VanDerWaalsContact C-N 3.34Å; N608-S611 WeakPolarHBondContact CA-OG 3.42Å; N608-S611 PolarHBondContact O-N 3.02Å; N608-S611 PolarHBondContact O-OG 3.41Å; N608-E612 WeakPolarHBondContact O-CB 3.34Å; N608-E612 PolarHBondContact O-N 2.95Å |
| 609 | L | 96.3 | Very high | 96.8 | Very high | 109 Ų | 109 | 98.6 Ų | 98.6 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.1 | -36.5 | 175.6 | -72 | 173.5 | 0 | 0 | 0 | 111.9 | R605 I606 L613 | R605-L609 HydrophobicContact CG-CD1 4.4Å; R605-L609 WeakPolarHBondContact O-CG 3.35Å; R605-L609 PolarHBondContact O-N 2.89Å; I606-L609 PolarHBondContact O-N 3.46Å; L609-L613 VanDerWaalsContact O-CB 3.23Å; L609-L613 WeakPolarHBondContact O-CB 3.37Å; L609-L613 PolarHBondContact O-N 2.86Å |
| 610 | K | 97.6 | Very high | 96.8 | Very high | 123 Ų | 123 | 98.5 Ų | 98.5 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 174.2 | -76.5 | 175.7 | 178.4 | 176 | 0 | 112 | I606 N607 N608 S614 | I606-K610 HydrophobicContact CG2-CD 4.07Å; I606-K610 HydrophobicContact CG2-CG 4.41Å; I606-K610 WeakPolarHBondContact O-CB 3.36Å; I606-K610 WeakPolarHBondContact O-CG 3.33Å; I606-K610 PolarHBondContact O-N 3.37Å; N607-K610 PolarHBondContact O-N 2.85Å; N608-K610 VanDerWaalsContact C-N 3.34Å; K610-S614 WeakPolarHBondContact O-CB 3.31Å; K610-S614 PolarHBondContact O-N 3.3Å; K610-S614 PolarHBondContact O-OG 3.46Å |
| 611 | S | 96.4 | Very high | 96.7 | Very high | 71 Ų | 71 | 100.7 Ų | 100.7 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 176.6 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | N607 N608 S614 R615 | N607-S611 PolarHBondContact O-N 3.28Å; N607-S611 PolarHBondContact O-OG 3.38Å; N608-S611 WeakPolarHBondContact CA-OG 3.42Å; N608-S611 PolarHBondContact O-N 3.02Å; N608-S611 PolarHBondContact O-OG 3.41Å; S611-S614 WeakPolarHBondContact O-CB 3.5Å; S611-S614 PolarHBondContact O-N 3.4Å; S611-R615 PolarHBondContact O-N 2.94Å |
| 612 | E | 96.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 102 Ų | 102 | 31% | 0.308 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 174.5 | -174.8 | 55.5 | -145.8 | 0 | 0 | 111.8 | N608 S614 R615 Q616 | N608-E612 WeakPolarHBondContact O-CB 3.34Å; N608-E612 PolarHBondContact O-N 2.95Å; E612-S614 VanDerWaalsContact C-N 3.27Å; E612-S614 PolarHBondContact O-N 3.18Å; E612-R615 WeakPolarHBondContact O-CB 3.44Å; E612-R615 PolarHBondContact O-N 3.47Å; E612-R615 VanDerWaalsContact O-N 3.13Å; E612-R615 IonicContact OE1-CZ 2.84Å; E612-R615 IonicContact OE1-NE 3.52Å; E612-R615 PolarHBondContact OE1-NE 2.87Å; E612-R615 IonicContact OE1-NH2 3.27Å; E612-R615 PolarHBondContact OE1-NH2 2.86Å; E612-R615 IonicContact OE2-CZ 3.75Å; E612-R615 VanDerWaalsContact OE2-CZ 3.23Å; E612-R615 IonicContact OE2-NE 3.96Å; E612-R615 PolarHBondContact OE2-NE 3.44Å; E612-R615 IonicContact OE2-NH2 3.81Å; E612-R615 PolarHBondContact OE2-NH2 3.19Å; E612-Q616 WeakPolarHBondContact O-CG 3.33Å; E612-Q616 PolarHBondContact O-N 3.16Å; E612-Q616 PolarHBondContact OE1-NE2 3.2Å |
| 613 | L | 96.4 | Very high | 96.6 | Very high | 97 Ų | 97 | 103.7 Ų | 103.7 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 174.8 | 178.8 | 64.8 | 0 | 0 | 0 | 111.5 | L609 Q616 K617 | L609-L613 VanDerWaalsContact O-CB 3.23Å; L609-L613 WeakPolarHBondContact O-CB 3.37Å; L609-L613 PolarHBondContact O-N 2.86Å; L613-Q616 PolarHBondContact O-N 2.87Å; L613-K617 WeakPolarHBondContact O-CB 3.32Å; L613-K617 WeakPolarHBondContact O-CG 3.33Å; L613-K617 PolarHBondContact O-N 3.26Å |
| 614 | S | 96.6 | Very high | 96.5 | Very high | 73 Ų | 73 | 103 Ų | 103 | 51% | 0.51 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | K610 S611 E612 K617 L618 | K610-S614 WeakPolarHBondContact O-CB 3.31Å; K610-S614 PolarHBondContact O-N 3.3Å; K610-S614 PolarHBondContact O-OG 3.46Å; S611-S614 WeakPolarHBondContact O-CB 3.5Å; S611-S614 PolarHBondContact O-N 3.4Å; E612-S614 VanDerWaalsContact C-N 3.27Å; E612-S614 PolarHBondContact O-N 3.18Å; S614-K617 PolarHBondContact O-N 3.2Å; S614-L618 PolarHBondContact O-N 3.28Å |
| 615 | R | 97.3 | Very high | 96.4 | Very high | 153 Ų | 153 | 100.7 Ų | 100.7 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -47 | 173.9 | -173.3 | 176.6 | 74.2 | 137 | 1.2 | 111.8 | S611 E612 K617 L618 H619 | S611-R615 PolarHBondContact O-N 2.94Å; E612-R615 WeakPolarHBondContact O-CB 3.44Å; E612-R615 PolarHBondContact O-N 3.47Å; E612-R615 VanDerWaalsContact O-N 3.13Å; E612-R615 IonicContact OE1-CZ 2.84Å; E612-R615 IonicContact OE1-NE 3.52Å; E612-R615 PolarHBondContact OE1-NE 2.87Å; E612-R615 IonicContact OE1-NH2 3.27Å; E612-R615 PolarHBondContact OE1-NH2 2.86Å; E612-R615 IonicContact OE2-CZ 3.75Å; E612-R615 VanDerWaalsContact OE2-CZ 3.23Å; E612-R615 IonicContact OE2-NE 3.96Å; E612-R615 PolarHBondContact OE2-NE 3.44Å; E612-R615 IonicContact OE2-NH2 3.81Å; E612-R615 PolarHBondContact OE2-NH2 3.19Å; R615-K617 PolarHBondContact O-N 3.49Å; R615-L618 PolarHBondContact O-N 3.47Å; R615-H619 PolarHBondContact O-N 2.88Å |
| 616 | Q | 95.3 | Very high | 96.3 | Very high | 85 Ų | 85 | 96.7 Ų | 96.7 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 177.4 | -67.9 | -61.4 | -23.8 | 0 | 0 | 112 | E612 L613 L618 H619 T620 | E612-Q616 WeakPolarHBondContact O-CG 3.33Å; E612-Q616 PolarHBondContact O-N 3.16Å; E612-Q616 PolarHBondContact OE1-NE2 3.2Å; L613-Q616 PolarHBondContact O-N 2.87Å; Q616-L618 PolarHBondContact O-N 3.42Å; Q616-H619 PolarHBondContact O-N 2.92Å; Q616-T620 WeakPolarHBondContact O-CB 3.31Å; Q616-T620 PolarHBondContact O-N 2.84Å; Q616-T620 PolarHBondContact O-OG1 3.28Å |
| 617 | K | 96.9 | Very high | 96.2 | Very high | 133 Ų | 133 | 97.3 Ų | 97.3 | 58% | 0.578 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.3 | -46.5 | 174 | -79 | 179.6 | 177.9 | -174.4 | 0 | 111.7 | L613 S614 R615 T620 Q621 | L613-K617 WeakPolarHBondContact O-CB 3.32Å; L613-K617 WeakPolarHBondContact O-CG 3.33Å; L613-K617 PolarHBondContact O-N 3.26Å; S614-K617 PolarHBondContact O-N 3.2Å; R615-K617 PolarHBondContact O-N 3.49Å; K617-T620 PolarHBondContact O-N 2.9Å; K617-Q621 PolarHBondContact O-N 3.33Å |
| 618 | L | 96.7 | Very high | 96.1 | Very high | 118 Ų | 118 | 98.4 Ų | 98.4 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -43.5 | 178.5 | -170.6 | 132.8 | 0 | 0 | 0 | 111.7 | S614 R615 Q616 T620 Q621 E622 | S614-L618 PolarHBondContact O-N 3.28Å; R615-L618 PolarHBondContact O-N 3.47Å; Q616-L618 PolarHBondContact O-N 3.42Å; L618-T620 PolarHBondContact O-N 3.49Å; L618-Q621 PolarHBondContact O-N 2.88Å; L618-E622 PolarHBondContact O-N 2.86Å |
| 619 | H | 96.2 | Very high | 95.9 | Very high | 87 Ų | 87 | 98.7 Ų | 98.7 | 40% | 0.403 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -41 | 175.8 | -175.5 | 53 | 0 | 0 | 0 | 112.6 | R615 Q616 Q621 E622 L623 | R615-H619 PolarHBondContact O-N 2.88Å; Q616-H619 PolarHBondContact O-N 2.92Å; H619-Q621 VanDerWaalsContact C-N 3.33Å; H619-Q621 PolarHBondContact O-N 3.46Å; H619-E622 PolarHBondContact O-N 3.01Å; H619-L623 WeakPolarHBondContact O-CG 3.38Å; H619-L623 PolarHBondContact O-N 2.86Å |
| 620 | T | 95.6 | Very high | 95.8 | Very high | 73 Ų | 73 | 95.8 Ų | 95.8 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.1 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | Q616 K617 L618 E622 L623 L624 | Q616-T620 WeakPolarHBondContact O-CB 3.31Å; Q616-T620 PolarHBondContact O-N 2.84Å; Q616-T620 PolarHBondContact O-OG1 3.28Å; K617-T620 PolarHBondContact O-N 2.9Å; L618-T620 PolarHBondContact O-N 3.49Å; T620-E622 VanDerWaalsContact C-N 3.34Å; T620-L623 PolarHBondContact O-N 3.45Å; T620-L624 HydrophobicContact CG2-CD1 4.4Å; T620-L624 WeakPolarHBondContact O-CG 3.36Å; T620-L624 PolarHBondContact O-N 2.92Å |
| 621 | Q | 96.4 | Very high | 95.6 | Very high | 132 Ų | 132 | 94.4 Ų | 94.4 | 62% | 0.617 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -41.4 | 176 | -172 | 174.4 | 3.9 | 0 | 0 | 111.8 | K617 L618 H619 L624 S625 | K617-Q621 PolarHBondContact O-N 3.33Å; L618-Q621 PolarHBondContact O-N 2.88Å; H619-Q621 VanDerWaalsContact C-N 3.33Å; H619-Q621 PolarHBondContact O-N 3.46Å; Q621-L624 PolarHBondContact O-N 2.88Å; Q621-S625 PolarHBondContact O-N 3.46Å; Q621-S625 PolarHBondContact O-OG 3.37Å |
| 622 | E | 96 | Very high | 95.6 | Very high | 102 Ų | 102 | 97.1 Ų | 97.1 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 175.2 | -174.3 | 178.2 | -169.7 | 0 | 0 | 112.2 | L618 H619 T620 L624 S625 Q626 | L618-E622 PolarHBondContact O-N 2.86Å; H619-E622 PolarHBondContact O-N 3.01Å; T620-E622 VanDerWaalsContact C-N 3.34Å; E622-L624 VanDerWaalsContact C-N 3.34Å; E622-L624 PolarHBondContact O-N 3.21Å; E622-S625 PolarHBondContact O-N 2.84Å; E622-Q626 WeakPolarHBondContact O-CG 3.32Å; E622-Q626 PolarHBondContact O-N 3.35Å |
| 623 | L | 94.6 | Very high | 95.5 | Very high | 83 Ų | 83 | 100.4 Ų | 100.4 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 175.6 | -74.1 | 174.4 | 0 | 0 | 0 | 112.3 | H619 T620 Q626 L627 | H619-L623 WeakPolarHBondContact O-CG 3.38Å; H619-L623 PolarHBondContact O-N 2.86Å; T620-L623 PolarHBondContact O-N 3.45Å; L623-Q626 PolarHBondContact O-N 3.48Å; L623-L627 WeakPolarHBondContact O-CB 3.44Å; L623-L627 PolarHBondContact O-N 3.1Å |
| 624 | L | 95.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 99.2 Ų | 99.2 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 174.7 | -74.6 | 171.3 | 0 | 0 | 0 | 111.1 | T620 Q621 E622 Q626 L627 E628 | T620-L624 HydrophobicContact CG2-CD1 4.4Å; T620-L624 WeakPolarHBondContact O-CG 3.36Å; T620-L624 PolarHBondContact O-N 2.92Å; Q621-L624 PolarHBondContact O-N 2.88Å; E622-L624 VanDerWaalsContact C-N 3.34Å; E622-L624 PolarHBondContact O-N 3.21Å; L624-Q626 VanDerWaalsContact C-N 3.32Å; L624-Q626 PolarHBondContact O-N 2.86Å; L624-L627 PolarHBondContact O-N 3.03Å; L624-L627 VanDerWaalsContact O-N 3.16Å; L624-E628 WeakPolarHBondContact O-CG 3.35Å; L624-E628 PolarHBondContact O-N 3.2Å |
| 625 | S | 95.2 | Very high | 95.2 | Very high | 54 Ų | 54 | 99 Ų | 99 | 38% | 0.378 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -37.1 | 175.2 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | Q621 E622 M629 | Q621-S625 PolarHBondContact O-N 3.46Å; Q621-S625 PolarHBondContact O-OG 3.37Å; E622-S625 PolarHBondContact O-N 2.84Å; S625-M629 WeakPolarHBondContact O-CG 3.38Å; S625-M629 PolarHBondContact O-N 3.47Å |
| 626 | Q | 95.3 | Very high | 95 | Very high | 97 Ų | 97 | 97.5 Ų | 97.5 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 173.5 | -71.8 | 178.8 | 22.1 | 0 | 0 | 112.1 | E622 L623 L624 M629 A630 | E622-Q626 WeakPolarHBondContact O-CG 3.32Å; E622-Q626 PolarHBondContact O-N 3.35Å; L623-Q626 PolarHBondContact O-N 3.48Å; L624-Q626 VanDerWaalsContact C-N 3.32Å; L624-Q626 PolarHBondContact O-N 2.86Å; Q626-M629 HydrophobicContact CG-CE 4.33Å; Q626-M629 PolarHBondContact O-N 2.86Å; Q626-A630 PolarHBondContact O-N 3.49Å |
| 627 | L | 94 | Very high | 94.8 | Very high | 98 Ų | 98 | 97.8 Ų | 97.8 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 178.1 | -162.7 | 157.6 | 0 | 0 | 0 | 111.1 | L623 L624 A630 N631 | L623-L627 WeakPolarHBondContact O-CB 3.44Å; L623-L627 PolarHBondContact O-N 3.1Å; L624-L627 PolarHBondContact O-N 3.03Å; L624-L627 VanDerWaalsContact O-N 3.16Å; L627-A630 PolarHBondContact O-N 3.38Å; L627-N631 WeakPolarHBondContact CD2-ND2 3.46Å; L627-N631 PolarHBondContact O-N 3.1Å |
| 628 | E | 95.1 | Very high | 94.6 | Very high | 116 Ų | 116 | 96.7 Ų | 96.7 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.1 | -50.8 | 172.2 | -74.8 | 171.8 | 173.4 | 0 | 0 | 111.2 | L624 A630 N631 E632 | L624-E628 WeakPolarHBondContact O-CG 3.35Å; L624-E628 PolarHBondContact O-N 3.2Å; E628-A630 VanDerWaalsContact C-N 3.3Å; E628-A630 PolarHBondContact O-N 3.35Å; E628-N631 PolarHBondContact O-N 2.93Å; E628-E632 WeakPolarHBondContact O-CG 3.35Å; E628-E632 PolarHBondContact O-N 3.46Å |
| 629 | M | 94.8 | Very high | 94.5 | Very high | 104 Ų | 104 | 97.1 Ų | 97.1 | 51% | 0.512 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -36.7 | 175.8 | -72.6 | -167.6 | -62.3 | 0 | 0 | 113.1 | S625 Q626 K633 | S625-M629 WeakPolarHBondContact O-CG 3.38Å; S625-M629 PolarHBondContact O-N 3.47Å; Q626-M629 HydrophobicContact CG-CE 4.33Å; Q626-M629 PolarHBondContact O-N 2.86Å; M629-K633 WeakPolarHBondContact O-CG 3.42Å; M629-K633 PolarHBondContact O-N 2.97Å; M629-K633 VanDerWaalsContact O-N 3.16Å |
| 630 | A | 93.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 96.9 Ų | 96.9 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q626 L627 E628 K633 V634 | Q626-A630 PolarHBondContact O-N 3.49Å; L627-A630 PolarHBondContact O-N 3.38Å; E628-A630 VanDerWaalsContact C-N 3.3Å; E628-A630 PolarHBondContact O-N 3.35Å; A630-K633 WeakPolarHBondContact O-CB 3.42Å; A630-K633 PolarHBondContact O-N 3.05Å; A630-V634 WeakPolarHBondContact O-CG2 3.41Å; A630-V634 PolarHBondContact O-N 3.07Å |
| 631 | N | 94.2 | Very high | 94.1 | Very high | 94 Ų | 94 | 98.7 Ų | 98.7 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 175.5 | -82 | -11.3 | 0 | 0 | 0 | 111.6 | L627 E628 K633 V634 V635 | L627-N631 WeakPolarHBondContact CD2-ND2 3.46Å; L627-N631 PolarHBondContact O-N 3.1Å; E628-N631 PolarHBondContact O-N 2.93Å; N631-K633 VanDerWaalsContact C-N 3.32Å; N631-K633 PolarHBondContact O-N 2.97Å; N631-V634 PolarHBondContact O-N 3.26Å; N631-V634 VanDerWaalsContact O-N 3.15Å; N631-V635 WeakPolarHBondContact O-CG2 3.39Å; N631-V635 PolarHBondContact O-N 2.89Å |
| 632 | E | 94.9 | Very high | 93.9 | Very high | 128 Ų | 128 | 97.4 Ų | 97.4 | 60% | 0.598 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -56.5 | -46 | 173.7 | -73.7 | 176.5 | 170.9 | 0 | 0 | 111.4 | E628 V634 V635 E636 | E628-E632 WeakPolarHBondContact O-CG 3.35Å; E628-E632 PolarHBondContact O-N 3.46Å; E632-V634 PolarHBondContact O-N 3.46Å; E632-V635 PolarHBondContact O-N 3.34Å; E632-E636 WeakPolarHBondContact O-CG 3.4Å; E632-E636 PolarHBondContact O-N 3.06Å |
| 633 | K | 94.8 | Very high | 93.7 | Very high | 135 Ų | 135 | 97.2 Ų | 97.2 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -38.3 | 175 | -72.4 | 176.2 | -177.7 | 177.7 | 0 | 113.2 | M629 A630 N631 E636 N637 | M629-K633 WeakPolarHBondContact O-CG 3.42Å; M629-K633 PolarHBondContact O-N 2.97Å; M629-K633 VanDerWaalsContact O-N 3.16Å; A630-K633 WeakPolarHBondContact O-CB 3.42Å; A630-K633 PolarHBondContact O-N 3.05Å; N631-K633 VanDerWaalsContact C-N 3.32Å; N631-K633 PolarHBondContact O-N 2.97Å; K633-E636 PolarHBondContact O-N 3.14Å; K633-N637 WeakPolarHBondContact O-CB 3.35Å; K633-N637 VanDerWaalsContact O-CG 3.26Å; K633-N637 PolarHBondContact O-N 3.42Å; K633-N637 PolarHBondContact O-ND2 2.82Å |
| 634 | V | 93.1 | Very high | 93.5 | Very high | 72 Ų | 72 | 98.8 Ų | 98.8 | 44% | 0.436 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 175.3 | 170 | 0 | 0 | 0 | 0 | 109.9 | A630 N631 E632 E636 N637 E638 | A630-V634 WeakPolarHBondContact O-CG2 3.41Å; A630-V634 PolarHBondContact O-N 3.07Å; N631-V634 PolarHBondContact O-N 3.26Å; N631-V634 VanDerWaalsContact O-N 3.15Å; E632-V634 PolarHBondContact O-N 3.46Å; V634-E636 VanDerWaalsContact C-N 3.32Å; V634-E636 PolarHBondContact O-N 3.46Å; V634-N637 WeakPolarHBondContact O-CB 3.46Å; V634-N637 PolarHBondContact O-N 3.4Å; V634-N637 VanDerWaalsContact O-N 3.15Å; V634-E638 HydrophobicContact CG1-CG 4.4Å; V634-E638 WeakPolarHBondContact O-CG 3.47Å; V634-E638 PolarHBondContact O-N 3.36Å |
| 635 | V | 94.3 | Very high | 93.3 | Very high | 69 Ų | 69 | 102 Ų | 102 | 42% | 0.418 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | N631 E632 E638 K639 | N631-V635 WeakPolarHBondContact O-CG2 3.39Å; N631-V635 PolarHBondContact O-N 2.89Å; E632-V635 PolarHBondContact O-N 3.34Å; V635-E638 PolarHBondContact O-N 3.37Å; V635-K639 WeakPolarHBondContact O-CG 3.39Å; V635-K639 PolarHBondContact O-N 2.99Å |
| 636 | E | 92.8 | Very high | 93.1 | Very high | 120 Ų | 120 | 104.6 Ų | 104.6 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 172.7 | -74.3 | 179.8 | 169.5 | 0 | 0 | 112.2 | E632 K633 V634 E638 K639 L640 | E632-E636 WeakPolarHBondContact O-CG 3.4Å; E632-E636 PolarHBondContact O-N 3.06Å; K633-E636 PolarHBondContact O-N 3.14Å; V634-E636 VanDerWaalsContact C-N 3.32Å; V634-E636 PolarHBondContact O-N 3.46Å; E636-E638 PolarHBondContact O-N 2.86Å; E636-K639 WeakPolarHBondContact O-CB 3.44Å; E636-K639 PolarHBondContact O-N 2.99Å; E636-L640 WeakPolarHBondContact O-CG 3.49Å; E636-L640 PolarHBondContact O-N 2.93Å |
| 637 | N | 91.3 | Very high | 92.9 | Very high | 91 Ų | 91 | 105.1 Ų | 105.1 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.5 | -73.8 | -32.9 | 0 | 0 | 0 | 112 | K633 V634 K639 L640 I641 | K633-N637 WeakPolarHBondContact O-CB 3.35Å; K633-N637 VanDerWaalsContact O-CG 3.26Å; K633-N637 PolarHBondContact O-N 3.42Å; K633-N637 PolarHBondContact O-ND2 2.82Å; V634-N637 WeakPolarHBondContact O-CB 3.46Å; V634-N637 PolarHBondContact O-N 3.4Å; V634-N637 VanDerWaalsContact O-N 3.15Å; N637-K639 VanDerWaalsContact C-N 3.33Å; N637-K639 PolarHBondContact O-N 3.17Å; N637-L640 PolarHBondContact O-N 2.99Å; N637-I641 VanDerWaalsContact O-CG1 3.28Å; N637-I641 WeakPolarHBondContact O-CG1 3.21Å; N637-I641 PolarHBondContact O-N 2.96Å |
| 638 | E | 92.9 | Very high | 92.6 | Very high | 110 Ų | 110 | 102.3 Ų | 102.3 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.5 | -76.2 | 179.5 | 169 | 0 | 0 | 111.6 | V634 V635 E636 I641 L642 | V634-E638 HydrophobicContact CG1-CG 4.4Å; V634-E638 WeakPolarHBondContact O-CG 3.47Å; V634-E638 PolarHBondContact O-N 3.36Å; V635-E638 PolarHBondContact O-N 3.37Å; E636-E638 PolarHBondContact O-N 2.86Å; E638-I641 PolarHBondContact O-N 3.46Å; E638-L642 WeakPolarHBondContact O-CG 3.04Å; E638-L642 PolarHBondContact O-N 3.34Å |
| 639 | K | 94.3 | Very high | 92.4 | Very high | 127 Ų | 127 | 100 Ų | 100 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -46.6 | 173.1 | -72.5 | 173.4 | -176.7 | 173.8 | 0 | 111.5 | V635 E636 N637 I641 L642 E643 | V635-K639 WeakPolarHBondContact O-CG 3.39Å; V635-K639 PolarHBondContact O-N 2.99Å; E636-K639 WeakPolarHBondContact O-CB 3.44Å; E636-K639 PolarHBondContact O-N 2.99Å; N637-K639 VanDerWaalsContact C-N 3.33Å; N637-K639 PolarHBondContact O-N 3.17Å; K639-I641 VanDerWaalsContact C-N 3.33Å; K639-I641 PolarHBondContact O-N 3.37Å; K639-L642 WeakPolarHBondContact O-CB 3.39Å; K639-L642 PolarHBondContact O-N 2.93Å; K639-E643 WeakPolarHBondContact O-CG 3.45Å; K639-E643 PolarHBondContact O-N 3Å |
| 640 | L | 93.1 | Very high | 92.2 | Very high | 82 Ų | 82 | 102.1 Ų | 102.1 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 176.9 | -71.8 | 172.4 | 0 | 0 | 0 | 112.1 | E636 N637 E643 H644 | E636-L640 WeakPolarHBondContact O-CG 3.49Å; E636-L640 PolarHBondContact O-N 2.93Å; N637-L640 PolarHBondContact O-N 2.99Å; L640-E643 PolarHBondContact O-N 2.98Å; L640-H644 WeakPolarHBondContact O-CB 3.49Å; L640-H644 PolarHBondContact O-CD2 3.48Å; L640-H644 PolarHBondContact O-N 3.38Å |
| 641 | I | 91.3 | Very high | 92 | Very high | 111 Ų | 111 | 104.3 Ų | 104.3 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 175.2 | -70.5 | 165.9 | 0 | 0 | 0 | 110.5 | N637 E638 K639 H644 R645 | N637-I641 VanDerWaalsContact O-CG1 3.28Å; N637-I641 WeakPolarHBondContact O-CG1 3.21Å; N637-I641 PolarHBondContact O-N 2.96Å; E638-I641 PolarHBondContact O-N 3.46Å; K639-I641 VanDerWaalsContact C-N 3.33Å; K639-I641 PolarHBondContact O-N 3.37Å; I641-H644 PolarHBondContact O-N 3.5Å; I641-R645 VanDerWaalsContact O-CB 3.31Å; I641-R645 WeakPolarHBondContact O-CB 3.34Å; I641-R645 PolarHBondContact O-N 3.46Å |
| 642 | L | 91.8 | Very high | 91.7 | Very high | 106 Ų | 106 | 103.8 Ų | 103.8 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61 | -44.6 | 175.6 | -74.5 | 170 | 0 | 0 | 0 | 111.5 | E638 K639 H644 R645 E646 | E638-L642 WeakPolarHBondContact O-CG 3.04Å; E638-L642 PolarHBondContact O-N 3.34Å; K639-L642 WeakPolarHBondContact O-CB 3.39Å; K639-L642 PolarHBondContact O-N 2.93Å; L642-H644 PolarHBondContact O-N 3.31Å; L642-R645 WeakPolarHBondContact O-CB 3.38Å; L642-R645 PolarHBondContact O-N 3.37Å; L642-E646 WeakPolarHBondContact O-CG 3.45Å; L642-E646 PolarHBondContact O-N 3.49Å |
| 643 | E | 91.1 | Very high | 91.4 | Very high | 97 Ų | 97 | 104.8 Ų | 104.8 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 175.1 | -73.2 | -176 | -168.7 | 0 | 0 | 112.6 | K639 L640 R645 E646 K647 | K639-E643 WeakPolarHBondContact O-CG 3.45Å; K639-E643 PolarHBondContact O-N 3Å; L640-E643 PolarHBondContact O-N 2.98Å; E643-R645 VanDerWaalsContact C-N 3.34Å; E643-E646 PolarHBondContact O-N 2.99Å; E643-K647 VanDerWaalsContact O-CG 3.3Å; E643-K647 WeakPolarHBondContact O-CG 3.46Å; E643-K647 PolarHBondContact O-N 3.37Å; E643-K647 IonicContact OE2-NZ 3.46Å |
| 644 | H | 91.2 | Very high | 91 | Very high | 117 Ų | 117 | 106.8 Ų | 106.8 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 175.8 | -76.2 | -55.2 | 0 | 0 | 0 | 111.5 | L640 I641 L642 K647 A648 | L640-H644 WeakPolarHBondContact O-CB 3.49Å; L640-H644 PolarHBondContact O-CD2 3.48Å; L640-H644 PolarHBondContact O-N 3.38Å; I641-H644 PolarHBondContact O-N 3.5Å; L642-H644 PolarHBondContact O-N 3.31Å; H644-K647 PolarHBondContact O-N 3.07Å; H644-A648 WeakPolarHBondContact O-CB 3.41Å; H644-A648 PolarHBondContact O-N 2.99Å |
| 645 | R | 90.2 | Very high | 90.5 | Very high | 167 Ų | 167 | 105.6 Ų | 105.6 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.1 | -41.8 | 174.8 | -172.6 | 176.4 | -176.5 | 167.5 | 0.4 | 111.6 | I641 L642 E643 A648 N649 | I641-R645 VanDerWaalsContact O-CB 3.31Å; I641-R645 WeakPolarHBondContact O-CB 3.34Å; I641-R645 PolarHBondContact O-N 3.46Å; L642-R645 WeakPolarHBondContact O-CB 3.38Å; L642-R645 PolarHBondContact O-N 3.37Å; E643-R645 VanDerWaalsContact C-N 3.34Å; R645-A648 PolarHBondContact O-N 3.19Å; R645-N649 WeakPolarHBondContact O-CB 3.29Å; R645-N649 PolarHBondContact O-N 2.98Å; R645-N649 PolarHBondContact O-ND2 2.96Å |
| 646 | E | 91.6 | Very high | 90 | Very high | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 173.6 | -76.6 | -169.1 | -176.9 | 0 | 0 | 112.3 | L642 E643 N649 R650 | L642-E646 WeakPolarHBondContact O-CG 3.45Å; L642-E646 PolarHBondContact O-N 3.49Å; E643-E646 PolarHBondContact O-N 2.99Å; E646-N649 PolarHBondContact O-N 3.4Å; E646-R650 VanDerWaalsContact O-CG 3.31Å; E646-R650 WeakPolarHBondContact O-CG 3.4Å; E646-R650 PolarHBondContact O-N 3.23Å |
| 647 | K | 92.1 | Very high | 89.6 | Confident | 107 Ų | 107 | 103 Ų | 103 | 47% | 0.465 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 175.5 | -73.5 | 167.3 | -173.5 | 161.4 | 0 | 111 | E643 H644 R650 L651 | E643-K647 VanDerWaalsContact O-CG 3.3Å; E643-K647 WeakPolarHBondContact O-CG 3.46Å; E643-K647 PolarHBondContact O-N 3.37Å; E643-K647 IonicContact OE2-NZ 3.46Å; H644-K647 PolarHBondContact O-N 3.07Å; K647-R650 PolarHBondContact O-N 2.93Å; K647-L651 WeakPolarHBondContact O-CG 3.45Å; K647-L651 PolarHBondContact O-N 3.11Å |
| 648 | A | 87.8 | Confident | 89.1 | Confident | 39 Ų | 39 | 101.1 Ų | 101.1 | 32% | 0.322 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -49.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | H644 R645 R650 L651 Q652 | H644-A648 WeakPolarHBondContact O-CB 3.41Å; H644-A648 PolarHBondContact O-N 2.99Å; R645-A648 PolarHBondContact O-N 3.19Å; A648-R650 VanDerWaalsContact C-N 3.27Å; A648-R650 PolarHBondContact O-N 3.43Å; A648-L651 CarbonylContact O-C 3.56Å; A648-L651 WeakPolarHBondContact O-CB 3.31Å; A648-L651 PolarHBondContact O-N 3.32Å; A648-Q652 WeakPolarHBondContact O-CB 3.5Å; A648-Q652 PolarHBondContact O-N 2.97Å |
| 649 | N | 89.9 | Confident | 88.6 | Confident | 67 Ų | 67 | 97.2 Ų | 97.2 | 36% | 0.358 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.3 | -37 | 176.5 | -72.8 | -22.7 | 0 | 0 | 0 | 112.9 | R645 E646 R653 | R645-N649 WeakPolarHBondContact O-CB 3.29Å; R645-N649 PolarHBondContact O-N 2.98Å; R645-N649 PolarHBondContact O-ND2 2.96Å; E646-N649 PolarHBondContact O-N 3.4Å; N649-R653 WeakPolarHBondContact O-CB 3.48Å; N649-R653 WeakPolarHBondContact O-CG 3.37Å; N649-R653 PolarHBondContact O-N 3.44Å; N649-R653 PolarHBondContact O-NE 2.74Å |
| 650 | R | 91.1 | Very high | 87.8 | Confident | 150 Ų | 150 | 97.4 Ų | 97.4 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.3 | -43.1 | 174.6 | -73.4 | 177.1 | -166.3 | -143.5 | 6.5 | 111.5 | E646 K647 A648 R653 R654 | E646-R650 VanDerWaalsContact O-CG 3.31Å; E646-R650 WeakPolarHBondContact O-CG 3.4Å; E646-R650 PolarHBondContact O-N 3.23Å; K647-R650 PolarHBondContact O-N 2.93Å; A648-R650 VanDerWaalsContact C-N 3.27Å; A648-R650 PolarHBondContact O-N 3.43Å; R650-R653 PolarHBondContact O-N 3.11Å; R650-R654 PolarHBondContact O-N 3.02Å |
| 651 | L | 89.2 | Confident | 87.2 | Confident | 94 Ų | 94 | 101.4 Ų | 101.4 | 49% | 0.492 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 176 | -72.1 | 172 | 0 | 0 | 0 | 110.8 | K647 A648 R653 R654 L655 | K647-L651 WeakPolarHBondContact O-CG 3.45Å; K647-L651 PolarHBondContact O-N 3.11Å; A648-L651 CarbonylContact O-C 3.56Å; A648-L651 WeakPolarHBondContact O-CB 3.31Å; A648-L651 PolarHBondContact O-N 3.32Å; L651-R653 VanDerWaalsContact C-N 3.32Å; L651-R653 PolarHBondContact O-N 3.26Å; L651-R654 WeakPolarHBondContact O-CB 3.37Å; L651-R654 PolarHBondContact O-N 3.4Å; L651-R654 VanDerWaalsContact O-N 3.08Å; L651-L655 WeakPolarHBondContact O-CB 3.45Å; L651-L655 PolarHBondContact O-N 3.33Å |
| 652 | Q | 87.2 | Confident | 86.3 | Confident | 82 Ų | 82 | 98 Ų | 98 | 38% | 0.383 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 177.7 | -168.9 | 160 | 6.6 | 0 | 0 | 112.4 | A648 L655 S656 F695 | A648-Q652 WeakPolarHBondContact O-CB 3.5Å; A648-Q652 PolarHBondContact O-N 2.97Å; Q652-L655 WeakPolarHBondContact O-CB 3.43Å; Q652-L655 PolarHBondContact O-N 3.13Å; Q652-S656 PolarHBondContact O-N 3.11Å; Q652-S656 PolarHBondContact O-OG 3.49Å; Q652-F695 HydrophobicContact CG-CD1 4.33Å; Q652-F695 HydrophobicContact CG-CE1 4.1Å |
| 653 | R | 87.6 | Confident | 85.3 | Confident | 150 Ų | 150 | 95 Ų | 95 | 57% | 0.566 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.1 | -46.1 | 170.9 | -83.3 | -178.5 | -94.5 | 155.4 | -14.2 | 112.7 | N649 R650 L651 L655 S656 Q657 | N649-R653 WeakPolarHBondContact O-CB 3.48Å; N649-R653 WeakPolarHBondContact O-CG 3.37Å; N649-R653 PolarHBondContact O-N 3.44Å; N649-R653 PolarHBondContact O-NE 2.74Å; R650-R653 PolarHBondContact O-N 3.11Å; L651-R653 VanDerWaalsContact C-N 3.32Å; L651-R653 PolarHBondContact O-N 3.26Å; R653-L655 PolarHBondContact O-N 3.4Å; R653-S656 WeakPolarHBondContact O-CB 3.42Å; R653-S656 PolarHBondContact O-N 3.21Å; R653-Q657 WeakPolarHBondContact O-CG 3.49Å; R653-Q657 PolarHBondContact O-N 2.84Å |
| 654 | R | 88 | Confident | 84.5 | Confident | 176 Ų | 176 | 93.4 Ų | 93.4 | 66% | 0.664 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.2 | -36.7 | 175.5 | -75.8 | 178.4 | 67.4 | 179.8 | 1.9 | 111.6 | R650 L651 A658 | R650-R654 PolarHBondContact O-N 3.02Å; L651-R654 WeakPolarHBondContact O-CB 3.37Å; L651-R654 PolarHBondContact O-N 3.4Å; L651-R654 VanDerWaalsContact O-N 3.08Å; R654-A658 WeakPolarHBondContact O-CB 3.38Å; R654-A658 PolarHBondContact O-N 2.95Å |
| 655 | L | 82.9 | Confident | 83.2 | Confident | 48 Ų | 48 | 90.7 Ų | 90.7 | 25% | 0.251 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.6 | -47.9 | 179.3 | -135.5 | 142.8 | 0 | 0 | 0 | 111.2 | L651 Q652 R653 Q657 A658 E659 F695 P696 | L651-L655 WeakPolarHBondContact O-CB 3.45Å; L651-L655 PolarHBondContact O-N 3.33Å; Q652-L655 WeakPolarHBondContact O-CB 3.43Å; Q652-L655 PolarHBondContact O-N 3.13Å; R653-L655 PolarHBondContact O-N 3.4Å; L655-Q657 VanDerWaalsContact C-N 3.28Å; L655-Q657 PolarHBondContact O-N 3.32Å; L655-A658 CarbonylContact O-C 3.6Å; L655-A658 WeakPolarHBondContact O-CA 3.36Å; L655-A658 WeakPolarHBondContact O-CB 3.37Å; L655-A658 PolarHBondContact O-N 3.06Å; L655-E659 HydrophobicContact CD2-CG 4.02Å; L655-E659 VanDerWaalsContact CD2-OE1 3.27Å; L655-E659 WeakPolarHBondContact CD2-OE1 3.47Å; L655-E659 WeakPolarHBondContact O-CG 3.5Å; L655-E659 PolarHBondContact O-N 3.03Å; L655-F695 HydrophobicContact CD2-CD1 4.45Å; L655-P696 HydrophobicContact CD1-CG 3.13Å; L655-P696 HydrophobicContact CD2-CG 3.56Å; L655-P696 HydrophobicContact CG-CG 3.88Å |
| 656 | S | 82.5 | Confident | 81.7 | Confident | 36 Ų | 36 | 83.1 Ų | 83.1 | 25% | 0.252 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -50.3 | -48.2 | 171.3 | -47.4 | 0 | 0 | 0 | 0 | 111.8 | Q652 R653 A658 E659 E660 F695 | Q652-S656 PolarHBondContact O-N 3.11Å; Q652-S656 PolarHBondContact O-OG 3.49Å; R653-S656 WeakPolarHBondContact O-CB 3.42Å; R653-S656 PolarHBondContact O-N 3.21Å; S656-A658 VanDerWaalsContact C-N 3.34Å; S656-A658 PolarHBondContact O-N 3.18Å; S656-E659 WeakPolarHBondContact O-CB 3.46Å; S656-E659 PolarHBondContact O-N 3.47Å; S656-E660 PolarHBondContact O-N 3.27Å; S656-F695 VanDerWaalsContact CA-CZ 3.43Å; S656-F695 WeakPolarHBondContact OG-CE1 3.34Å; S656-F695 WeakPolarHBondContact OG-CZ 3.47Å |
| 657 | Q | 85.7 | Confident | 80.1 | Confident | 99 Ų | 99 | 84.4 Ų | 84.4 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67 | -32.3 | 178.2 | -71.6 | 175.9 | -4.3 | 0 | 0 | 113.6 | R653 L655 R661 | R653-Q657 WeakPolarHBondContact O-CG 3.49Å; R653-Q657 PolarHBondContact O-N 2.84Å; L655-Q657 VanDerWaalsContact C-N 3.28Å; L655-Q657 PolarHBondContact O-N 3.32Å; Q657-R661 WeakPolarHBondContact O-CB 3.34Å; Q657-R661 WeakPolarHBondContact O-CG 3.39Å; Q657-R661 PolarHBondContact O-N 3.3Å; Q657-R661 VanDerWaalsContact O-N 3.15Å; Q657-R661 PolarHBondContact O-NE 3.44Å; Q657-R661 VanDerWaalsContact O-NE 3.14Å |
| 658 | A | 80.8 | Confident | 78.4 | Confident | 51 Ų | 51 | 86.3 Ų | 86.3 | 42% | 0.421 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.8 | -35.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R654 L655 S656 A662 | R654-A658 WeakPolarHBondContact O-CB 3.38Å; R654-A658 PolarHBondContact O-N 2.95Å; L655-A658 CarbonylContact O-C 3.6Å; L655-A658 WeakPolarHBondContact O-CA 3.36Å; L655-A658 WeakPolarHBondContact O-CB 3.37Å; L655-A658 PolarHBondContact O-N 3.06Å; S656-A658 VanDerWaalsContact C-N 3.34Å; S656-A658 PolarHBondContact O-N 3.18Å; A658-A662 WeakPolarHBondContact O-CB 3.45Å; A658-A662 PolarHBondContact O-N 3.42Å |
| 659 | E | 80.3 | Confident | 76.7 | Confident | 27 Ų | 27 | 89.8 Ų | 89.8 | 13% | 0.126 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.7 | -44.2 | 175.4 | -69.6 | -167.6 | 173.5 | 0 | 0 | 112.5 | L655 S656 R661 A662 A663 P693 F695 | L655-E659 HydrophobicContact CD2-CG 4.02Å; L655-E659 VanDerWaalsContact CD2-OE1 3.27Å; L655-E659 WeakPolarHBondContact CD2-OE1 3.47Å; L655-E659 WeakPolarHBondContact O-CG 3.5Å; L655-E659 PolarHBondContact O-N 3.03Å; S656-E659 WeakPolarHBondContact O-CB 3.46Å; S656-E659 PolarHBondContact O-N 3.47Å; E659-R661 VanDerWaalsContact C-N 3.33Å; E659-R661 PolarHBondContact O-N 3.22Å; E659-A662 WeakPolarHBondContact O-CB 3.47Å; E659-A662 PolarHBondContact O-N 3.47Å; E659-A663 WeakPolarHBondContact O-CB 3.43Å; E659-A663 PolarHBondContact O-N 3.27Å; E659-P693 HydrophobicContact CB-CB 4.25Å; E659-P693 HydrophobicContact CB-CG 3.79Å; E659-P693 HydrophobicContact CG-CB 3.63Å; E659-P693 HydrophobicContact CG-CG 3.73Å; E659-F695 VanDerWaalsContact OE1-CA 3.28Å; E659-F695 WeakPolarHBondContact OE1-CA 3.4Å; E659-F695 PolarHBondContact OE1-N 3.45Å; E659-F695 WeakPolarHBondContact OE2-CD2 3.4Å; E659-F695 WeakPolarHBondContact OE2-CE2 3.21Å; E659-F695 PolarHBondContact OE2-N 3.4Å |
| 660 | E | 79.4 | Confident | 74.8 | Confident | 132 Ų | 132 | 92.1 Ų | 92.1 | 62% | 0.617 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.4 | -42.3 | 171.3 | -80.1 | 179.2 | 165.7 | 0 | 0 | 111.8 | S656 A663 S664 | S656-E660 PolarHBondContact O-N 3.27Å; E660-A663 PolarHBondContact O-N 3.24Å; E660-S664 VanDerWaalsContact O-CB 3.29Å; E660-S664 WeakPolarHBondContact O-CB 3.48Å; E660-S664 PolarHBondContact O-N 3.18Å; E660-S664 PolarHBondContact O-OG 3.27Å |
| 661 | R | 79.8 | Confident | 72.8 | Confident | 165 Ų | 165 | 92.5 Ų | 92.5 | 62% | 0.623 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 174.5 | -85.4 | -178.6 | -92.6 | 168.4 | -15.4 | 112.2 | Q657 E659 S664 A665 | Q657-R661 WeakPolarHBondContact O-CB 3.34Å; Q657-R661 WeakPolarHBondContact O-CG 3.39Å; Q657-R661 PolarHBondContact O-N 3.3Å; Q657-R661 VanDerWaalsContact O-N 3.15Å; Q657-R661 PolarHBondContact O-NE 3.44Å; Q657-R661 VanDerWaalsContact O-NE 3.14Å; E659-R661 VanDerWaalsContact C-N 3.33Å; E659-R661 PolarHBondContact O-N 3.22Å; R661-S664 PolarHBondContact O-N 3.25Å; R661-A665 WeakPolarHBondContact O-CB 3.37Å; R661-A665 PolarHBondContact O-N 3.44Å |
| 662 | A | 73.3 | Confident | 70.7 | Confident | 41 Ų | 41 | 96.3 Ų | 96.3 | 34% | 0.339 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A658 E659 S664 S666 P693 | A658-A662 WeakPolarHBondContact O-CB 3.45Å; A658-A662 PolarHBondContact O-N 3.42Å; E659-A662 WeakPolarHBondContact O-CB 3.47Å; E659-A662 PolarHBondContact O-N 3.47Å; A662-S664 PolarHBondContact O-N 3.16Å; A662-S666 WeakPolarHBondContact O-CB 3.32Å; A662-S666 PolarHBondContact O-N 3.47Å; A662-S666 PolarHBondContact O-OG 3.49Å; A662-S666 VanDerWaalsContact O-OG 3.06Å; A662-P693 HydrophobicContact CB-CG 3.99Å |
| 663 | A | 70.1 | Confident | 68.4 | Low | 41 Ų | 41 | 99.8 Ų | 99.8 | 34% | 0.339 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E659 E660 S666 Q667 | E659-A663 WeakPolarHBondContact O-CB 3.43Å; E659-A663 PolarHBondContact O-N 3.27Å; E660-A663 PolarHBondContact O-N 3.24Å; A663-S666 PolarHBondContact O-N 3.37Å; A663-S666 PolarHBondContact O-OG 3.44Å; A663-Q667 PolarHBondContact O-N 2.95Å |
| 664 | S | 73.4 | Confident | 65.9 | Low | 65 Ų | 65 | 100.8 Ų | 100.8 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.2 | -43.9 | 178.8 | -57 | 0 | 0 | 0 | 0 | 112.5 | E660 R661 A662 S666 Q667 Q668 | E660-S664 VanDerWaalsContact O-CB 3.29Å; E660-S664 WeakPolarHBondContact O-CB 3.48Å; E660-S664 PolarHBondContact O-N 3.18Å; E660-S664 PolarHBondContact O-OG 3.27Å; R661-S664 PolarHBondContact O-N 3.25Å; A662-S664 PolarHBondContact O-N 3.16Å; S664-S666 PolarHBondContact O-N 2.68Å; S664-Q667 PolarHBondContact O-N 3.42Å; S664-Q668 PolarHBondContact O-N 3.35Å; S664-Q668 VanDerWaalsContact O-N 3.14Å |
| 665 | A | 65 | Low | 63.4 | Low | 60 Ų | 60 | 102.4 Ų | 102.4 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.2 | -22.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R661 | R661-A665 WeakPolarHBondContact O-CB 3.37Å; R661-A665 PolarHBondContact O-N 3.44Å |
| 666 | S | 58.9 | Low | 60.9 | Low | 7 Ų | 7 | 104.6 Ų | 104.6 | 5% | 0.049 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -103.3 | -29.1 | -167.8 | 95.8 | 0 | 0 | 0 | 0 | 109.7 | A662 A663 S664 Q668 H669 W691 | A662-S666 WeakPolarHBondContact O-CB 3.32Å; A662-S666 PolarHBondContact O-N 3.47Å; A662-S666 PolarHBondContact O-OG 3.49Å; A662-S666 VanDerWaalsContact O-OG 3.06Å; A663-S666 PolarHBondContact O-N 3.37Å; A663-S666 PolarHBondContact O-OG 3.44Å; S664-S666 PolarHBondContact O-N 2.68Å; S666-Q668 VanDerWaalsContact C-N 3.34Å; S666-Q668 PolarHBondContact O-N 3.34Å; S666-H669 PolarHBondContact O-N 3.28Å; S666-W691 VanDerWaalsContact CA-CH2 3.48Å; S666-W691 VanDerWaalsContact CB-CD2 3.47Å; S666-W691 WeakPolarHBondContact O-CH2 3.31Å; S666-W691 WeakPolarHBondContact O-CZ2 3.39Å; S666-W691 VanDerWaalsContact OG-CD2 3.24Å; S666-W691 VanDerWaalsContact OG-CE2 3.27Å; S666-W691 WeakPolarHBondContact OG-CH2 3.48Å; S666-W691 WeakPolarHBondContact OG-CZ2 3.49Å; S666-W691 WeakPolarHBondContact OG-CZ3 3.34Å |
| 667 | Q | 56.7 | Low | 58.3 | Low | 136 Ų | 136 | 113.2 Ų | 113.2 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.3 | -34 | 158.1 | -76.7 | -178.7 | -14.3 | 0 | 0 | 114 | A663 S664 H669 N670 | A663-Q667 PolarHBondContact O-N 2.95Å; S664-Q667 PolarHBondContact O-N 3.42Å; Q667-H669 VanDerWaalsContact C-N 3.27Å; Q667-H669 PolarHBondContact O-N 3.05Å; Q667-N670 PolarHBondContact O-N 3Å |
| 668 | Q | 56.5 | Low | 55.7 | Low | 147 Ų | 147 | 116.9 Ų | 116.9 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65 | -28.9 | 173.4 | -78.9 | 178.3 | -26.7 | 0 | 0 | 113 | S664 S666 | S664-Q668 PolarHBondContact O-N 3.35Å; S664-Q668 VanDerWaalsContact O-N 3.14Å; S666-Q668 VanDerWaalsContact C-N 3.34Å; S666-Q668 PolarHBondContact O-N 3.34Å |
| 669 | H | 52.6 | Low | 53.8 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 52% | 0.519 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -75 | -23.9 | 179.6 | -157.7 | 23.2 | 0 | 0 | 0 | 113.4 | S666 Q667 | S666-H669 PolarHBondContact O-N 3.28Å; Q667-H669 VanDerWaalsContact C-N 3.27Å; Q667-H669 PolarHBondContact O-N 3.05Å |
| 670 | N | 50.5 | Low | 51.4 | Low | 116 Ų | 116 | 128.2 Ų | 128.2 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -87.5 | -11.8 | -176.8 | -71.4 | -24.1 | 0 | 0 | 0 | 114.3 | Q667 | Q667-N670 PolarHBondContact O-N 3Å |
| 671 | L | 47.5 | Very low | 49 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 83% | 0.827 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -94.4 | -11.8 | -178.5 | -88.8 | 151.2 | 0 | 0 | 0 | 114.7 | ||
| 672 | E | 45 | Very low | 46.6 | Very low | 174 Ų | 174 | 123.9 Ų | 123.9 | 81% | 0.813 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -98.2 | 2.9 | -177.6 | -76.4 | -174.2 | 157.5 | 0 | 0 | 115.3 | ||
| 673 | H | 39.8 | Very low | 44.7 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | trans | -111.1 | 33.1 | -163.8 | -121.9 | -68.3 | 0 | 0 | 0 | 118.2 | ||||
| 674 | L | 35 | Very low | 43.1 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 89% | 0.89 | 72% | 0.724 | S | S | * | * | trans | -136.6 | 39.8 | -178.8 | -112.8 | 160.2 | 0 | 0 | 0 | 118.4 | ||||
| 675 | K | 35.6 | Very low | 41.7 | Very low | 210 Ų | 210 | 142.7 Ų | 142.7 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -149 | 116.7 | 154.6 | -89.2 | -175.4 | -177.2 | 172 | 0 | 112.5 | ||
| 676 | A | 31.2 | Very low | 40.2 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | 109.8 | 116.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 677 | F | 26.7 | Very low | 39 | Very low | 216 Ų | 216 | 150.5 Ų | 150.5 | 95% | 0.947 | 79% | 0.793 | S | S | * | * | trans | 89.7 | 123.4 | 141.4 | -95.5 | -100.3 | 0 | 0 | 0 | 123.8 | ||||
| 678 | Q | 31.6 | Very low | 37.8 | Very low | 176 Ų | 176 | 155.3 Ų | 155.3 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -84.3 | 155.5 | 156.7 | -82.8 | -177.7 | -17.2 | 0 | 0 | 109.9 | ||||
| 679 | P | 40.1 | Very low | 36.7 | Very low | 120 Ų | 120 | 153 Ų | 153 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | -156.6 | 173.3 | 57.9 | 39.4 | -15.4 | 0 | 0 | 0 | 119.3 | |||||
| 680 | K | 31.4 | Very low | 35.9 | Very low | 196 Ų | 196 | 153.1 Ų | 153.1 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | 23.5 | 134.5 | 152.1 | -69.7 | -178.7 | 177.2 | 176.8 | 0 | 124.1 | ||||
| 681 | C | 28 | Very low | 34.8 | Very low | 130 Ų | 130 | 154.6 Ų | 154.6 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | 75.3 | 112.5 | 142.5 | -74.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 682 | G | 29.8 | Very low | 34.8 | Very low | 76 Ų | 76 | 155.5 Ų | 155.5 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 118.3 | 127.5 | 133 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 683 | K | 33.3 | Very low | 35.2 | Very low | 207 Ų | 207 | 149.9 Ų | 149.9 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | trans | 78.4 | 124.1 | 151.6 | -63.8 | -178.5 | 179.7 | 174.2 | 0 | 122.1 | ||||
| 684 | K | 36.9 | Very low | 34.8 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 47.2 | 126.2 | 137.6 | -71.2 | -175.2 | 174.8 | -177.2 | 0 | 123.1 | ||||
| 685 | T | 44 | Very low | 34.5 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | trans | 68.6 | 128.9 | 142.7 | 52.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 686 | G | 32.3 | Very low | 35.1 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | 162.1 | 128.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 687 | I | 35.5 | Very low | 35.1 | Very low | 158 Ų | 158 | 135 Ų | 135 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | cis | 71.3 | 111.8 | 48.9 | -59.4 | 179.9 | 0 | 0 | 0 | 114.8 | ||||
| 688 | R | 31.6 | Very low | 35.3 | Very low | 237 Ų | 237 | 131.3 Ų | 131.3 | 89% | 0.894 | 72% | 0.716 | S | S | * | * | trans | 47.1 | 145.4 | 153.2 | -73 | -177.1 | -174.8 | -158.1 | 1.9 | 117.4 | ||||
| 689 | S | 32.7 | Very low | 35.3 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | cis | -177.1 | 155.2 | 25.5 | 28.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 690 | C | 36 | Very low | 34.8 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | 62.2 | 123.8 | 146.5 | -68.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 691 | W | 26 | Very low | 34.8 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 56% | 0.561 | 70% | 0.703 | S | S | * | * | -137.6 | 148.2 | 106.7 | -101.3 | 51.6 | 0 | 0 | 0 | 108.6 | S666 | S666-W691 VanDerWaalsContact CA-CH2 3.48Å; S666-W691 VanDerWaalsContact CB-CD2 3.47Å; S666-W691 WeakPolarHBondContact O-CH2 3.31Å; S666-W691 WeakPolarHBondContact O-CZ2 3.39Å; S666-W691 VanDerWaalsContact OG-CD2 3.24Å; S666-W691 VanDerWaalsContact OG-CE2 3.27Å; S666-W691 WeakPolarHBondContact OG-CH2 3.48Å; S666-W691 WeakPolarHBondContact OG-CZ2 3.49Å; S666-W691 WeakPolarHBondContact OG-CZ3 3.34Å | |||
| 692 | K | 49.4 | Very low | 34.9 | Very low | 177 Ų | 177 | 121.3 Ų | 121.3 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | trans | -128.2 | -171.4 | 178.7 | -117.5 | -170.2 | -177 | -168.4 | 0 | 104.8 | ||||
| 693 | P | 52.7 | Low | 35 | Very low | 55 Ų | 55 | 128.2 Ų | 128.2 | 36% | 0.357 | 70% | 0.703 | S | S | . | * | cis | -137.5 | -176.7 | -4.2 | 22.2 | 4.7 | 0 | 0 | 0 | 113.9 | E659 A662 | E659-P693 HydrophobicContact CB-CB 4.25Å; E659-P693 HydrophobicContact CB-CG 3.79Å; E659-P693 HydrophobicContact CG-CB 3.63Å; E659-P693 HydrophobicContact CG-CG 3.73Å; A662-P693 HydrophobicContact CB-CG 3.99Å | ||
| 694 | G | 30.7 | Very low | 34.8 | Very low | 65 Ų | 65 | 124.5 Ų | 124.5 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | trans | 175.3 | 77.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 695 | F | 30 | Very low | 34.5 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 46% | 0.456 | 69% | 0.694 | S | S | . | * | trans | 57 | 132.1 | 159.1 | -76.4 | -85.1 | 0 | 0 | 0 | 122.9 | Q652 L655 S656 E659 | Q652-F695 HydrophobicContact CG-CD1 4.33Å; Q652-F695 HydrophobicContact CG-CE1 4.1Å; L655-F695 HydrophobicContact CD2-CD1 4.45Å; S656-F695 VanDerWaalsContact CA-CZ 3.43Å; S656-F695 WeakPolarHBondContact OG-CE1 3.34Å; S656-F695 WeakPolarHBondContact OG-CZ 3.47Å; E659-F695 VanDerWaalsContact OE1-CA 3.28Å; E659-F695 WeakPolarHBondContact OE1-CA 3.4Å; E659-F695 PolarHBondContact OE1-N 3.45Å; E659-F695 WeakPolarHBondContact OE2-CD2 3.4Å; E659-F695 WeakPolarHBondContact OE2-CE2 3.21Å; E659-F695 PolarHBondContact OE2-N 3.4Å | ||
| 696 | P | 46.3 | Very low | 33.8 | Very low | 54 Ų | 54 | 128.3 Ų | 128.3 | 35% | 0.351 | 69% | 0.694 | S | S | . | * | trans | -114.8 | 169 | 171.3 | 41.8 | -30.4 | 0 | 0 | 0 | 111.8 | L655 | L655-P696 HydrophobicContact CD1-CG 3.13Å; L655-P696 HydrophobicContact CD2-CG 3.56Å; L655-P696 HydrophobicContact CG-CG 3.88Å | ||
| 697 | D | 31.9 | Very low | 33.9 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 50% | 0.503 | 69% | 0.693 | S | S | . | * | -159 | 151 | 123.9 | -102.3 | -25.3 | 0 | 0 | 0 | 112 | |||||
| 698 | I | 31.5 | Very low | 33.6 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | trans | -108.6 | 140.1 | -157.4 | -84.8 | 168.6 | 0 | 0 | 0 | 109.9 | ||||
| 699 | C | 30.4 | Very low | 33.9 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | trans | 42.4 | 136.8 | 145.8 | -56.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 700 | T | 29.5 | Very low | 33.8 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | -176.9 | 141.7 | 69.5 | 23.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 701 | S | 31.5 | Very low | 33.9 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | 49.3 | 110 | 145.8 | 60.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 702 | G | 30.9 | Very low | 34.3 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 84% | 0.835 | 71% | 0.713 | S | S | * | * | trans | -131.7 | 109.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 703 | W | 30.9 | Very low | 33.4 | Very low | 220 Ų | 220 | 137.3 Ų | 137.3 | 83% | 0.833 | 72% | 0.715 | S | S | * | * | trans | -73.3 | 129.1 | 176.9 | -79.1 | 61.8 | 0 | 0 | 0 | 110.1 | ||||
| 704 | L | 30.5 | Very low | 33.1 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | 63 | 121.2 | 100 | -87.4 | 133 | 0 | 0 | 0 | 116.5 | |||||
| 705 | W | 29.4 | Very low | 33.4 | Very low | 223 Ų | 223 | 148.4 Ų | 148.4 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | trans | 98 | 111.1 | 147.8 | -78.4 | 45.6 | 0 | 0 | 0 | 119.4 | ||||
| 706 | E | 29.9 | Very low | 34 | Very low | 193 Ų | 193 | 151.5 Ų | 151.5 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | -139.1 | 91.2 | 153.7 | -158.9 | 171 | -145.7 | 0 | 0 | 109.5 | ||||
| 707 | V | 33.9 | Very low | 33.8 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -152.1 | 114 | 152.9 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 708 | R | 31 | Very low | 33.9 | Very low | 239 Ų | 239 | 161.4 Ų | 161.4 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | -173.9 | 126.7 | 126.3 | -107.3 | 178.9 | -173.2 | -179.3 | 2.8 | 114 | |||||
| 709 | V | 36.3 | Very low | 34 | Very low | 126 Ų | 126 | 162.5 Ų | 162.5 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -49.7 | 136.9 | 155.8 | 171.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 710 | T | 31.7 | Very low | 34.2 | Very low | 140 Ų | 140 | 165.8 Ų | 165.8 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -158.2 | 135.2 | 131.9 | 0.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 711 | R | 38.2 | Very low | 34.5 | Very low | 231 Ų | 231 | 168.1 Ų | 168.1 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -60.9 | 162.2 | 167 | -68.7 | 170.7 | 176.5 | 166.2 | -1.3 | 112 | ||||
| 712 | V | 33.1 | Very low | 34.7 | Very low | 124 Ų | 124 | 172.3 Ų | 172.3 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | 175.3 | 122.8 | 114.9 | 152.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 713 | W | 32 | Very low | 34.9 | Very low | 214 Ų | 214 | 178.3 Ų | 178.3 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | 74.2 | 117.6 | 139.2 | -76.5 | 40.3 | 0 | 0 | 0 | 125.8 | ||||
| 714 | K | 45.5 | Very low | 35.2 | Very low | 168 Ų | 168 | 175.4 Ų | 175.4 | 73% | 0.73 | 83% | 0.827 | S | S | * | * | 22.4 | 133.8 | 121.5 | -82.1 | 178.9 | 171.6 | 176.6 | 0 | 120.3 | |||||
| 715 | F | 37 | Very low | 35.6 | Very low | 186 Ų | 186 | 178.8 Ų | 178.8 | 82% | 0.816 | 84% | 0.838 | S | S | * | * | -162.3 | 166 | 109 | -115.9 | -85.5 | 0 | 0 | 0 | 112.9 | |||||
| 716 | F | 42.7 | Very low | 36.1 | Very low | 168 Ų | 168 | 175.2 Ų | 175.2 | 74% | 0.737 | 84% | 0.838 | S | S | * | * | trans | -80.4 | 175 | -153.5 | -104.4 | -112.4 | 0 | 0 | 0 | 118.4 | ||||
| 717 | T | 42.2 | Very low | 36.7 | Very low | 194 Ų | 194 | 173.5 Ų | 173.5 | 100% | 1.19 | 83% | 0.832 | S | S | * | * | trans | -32.1 | 0 | 154.3 | 50.5 | 0 | 0 | 0 | 0 | 116.5 |
Retrieved 717 of 717 residues in 1064.3 ms
(Link to these results)