| 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 | 38.6 | Very low | 53.2 | Low | 255 Ų | 255 | 134.7 Ų | 134.7 | 100% | 1.256 | 70% | 0.704 | S | S | * | * | 0 | 129.4 | 0 | -92.5 | 141.3 | 74.3 | 0 | 0 | 108.7 | |||||
| 2 | G | 43.8 | Very low | 53.9 | Low | 81 Ų | 81 | 134 Ų | 134 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | trans | 124 | 51.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 3 | S | 46.6 | Very low | 54.3 | Low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | -72 | 135.1 | 154.9 | 52.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 4 | K | 46.8 | Very low | 54.7 | Low | 191 Ų | 191 | 135.6 Ų | 135.6 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | trans | 163.3 | 134.3 | 159.5 | -94.8 | 169.6 | -174.2 | -168 | 0 | 107.7 | ||||
| 5 | E | 53.7 | Low | 55.2 | Low | 106 Ų | 106 | 133.5 Ų | 133.5 | 50% | 0.495 | 68% | 0.675 | S | S | . | * | cis | -167 | 127.8 | 16.2 | -95.8 | 169.1 | -168 | 0 | 0 | 109.7 | R8 | E5-R8 IonicContact OE2-NE 3.48Å; E5-R8 PolarHBondContact OE2-NE 3.49Å | ||
| 6 | P | 53.3 | Low | 55.5 | Low | 107 Ų | 107 | 132.8 Ų | 132.8 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -91.9 | 4.4 | 159.2 | 31.8 | -31.1 | 0 | 0 | 0 | 113.4 | ||
| 7 | N | 56.9 | Low | 55.7 | Low | 89 Ų | 89 | 130.2 Ų | 130.2 | 48% | 0.476 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -83.6 | -14.9 | -165.3 | -83.3 | -14.6 | 0 | 0 | 0 | 116.2 | Q11 | N7-Q11 VanDerWaalsContact O-CB 3.24Å; N7-Q11 WeakPolarHBondContact O-CB 3.44Å; N7-Q11 WeakPolarHBondContact O-CG 3.38Å; N7-Q11 PolarHBondContact O-N 3.15Å |
| 8 | R | 61.3 | Low | 55.8 | Low | 174 Ų | 174 | 124.8 Ų | 124.8 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.6 | -37.3 | -174.3 | -76.2 | -175.4 | 178.4 | -158.3 | -6.5 | 114 | E5 Q11 H12 | E5-R8 IonicContact OE2-NE 3.48Å; E5-R8 PolarHBondContact OE2-NE 3.49Å; R8-Q11 PolarHBondContact O-N 3.42Å; R8-H12 PolarHBondContact O-CD2 2.95Å; R8-H12 PolarHBondContact O-N 2.96Å |
| 9 | F | 58.6 | Low | 56 | Low | 159 Ų | 159 | 129.6 Ų | 129.6 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.3 | -38.3 | -179.1 | -163.2 | -97.9 | 0 | 0 | 0 | 112.2 | Q11 H12 L13 | F9-Q11 VanDerWaalsContact C-N 3.33Å; F9-H12 PolarHBondContact O-N 3.2Å; F9-L13 HydrophobicContact CD1-CD1 4.3Å; F9-L13 HydrophobicContact CE1-CD1 4.15Å; F9-L13 PolarHBondContact O-N 3.25Å; F9-L13 VanDerWaalsContact O-N 3.07Å |
| 10 | I | 63.3 | Low | 55.8 | Low | 106 Ų | 106 | 129.2 Ų | 129.2 | 54% | 0.544 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -67.9 | -35.9 | 173.4 | -60.8 | -178.5 | 0 | 0 | 0 | 110.3 | L13 R14 | I10-L13 PolarHBondContact O-N 3.44Å; I10-R14 WeakPolarHBondContact O-CB 3.35Å; I10-R14 PolarHBondContact O-N 3.49Å |
| 11 | Q | 62.2 | Low | 55.6 | Low | 103 Ų | 103 | 127.6 Ų | 127.6 | 48% | 0.481 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.2 | -39.8 | 171.5 | -79.8 | 169.2 | -6 | 0 | 0 | 112.3 | N7 R8 F9 L13 R14 D15 | N7-Q11 VanDerWaalsContact O-CB 3.24Å; N7-Q11 WeakPolarHBondContact O-CB 3.44Å; N7-Q11 WeakPolarHBondContact O-CG 3.38Å; N7-Q11 PolarHBondContact O-N 3.15Å; R8-Q11 PolarHBondContact O-N 3.42Å; F9-Q11 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.17Å; Q11-R14 CarbonylContact O-C 3.56Å; Q11-R14 PolarHBondContact O-N 3.38Å; Q11-R14 VanDerWaalsContact O-N 3.17Å; Q11-D15 WeakPolarHBondContact O-CB 3.49Å; Q11-D15 PolarHBondContact O-N 3.36Å |
| 12 | H | 61.7 | Low | 56 | Low | 126 Ų | 126 | 120.1 Ų | 120.1 | 58% | 0.583 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.5 | -39.4 | 174.3 | -87.3 | -69.3 | 0 | 0 | 0 | 113.1 | R8 F9 R14 L16 | R8-H12 PolarHBondContact O-CD2 2.95Å; R8-H12 PolarHBondContact O-N 2.96Å; F9-H12 PolarHBondContact O-N 3.2Å; H12-R14 VanDerWaalsContact C-N 3.34Å; H12-L16 WeakPolarHBondContact O-CB 3.45Å; H12-L16 PolarHBondContact O-N 3.37Å |
| 13 | L | 59.4 | Low | 56.1 | Low | 102 Ų | 102 | 120.5 Ų | 120.5 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.4 | -36.2 | 172.7 | -81.8 | 169.1 | 0 | 0 | 0 | 112.1 | F9 I10 Q11 T17 | F9-L13 HydrophobicContact CD1-CD1 4.3Å; F9-L13 HydrophobicContact CE1-CD1 4.15Å; F9-L13 PolarHBondContact O-N 3.25Å; F9-L13 VanDerWaalsContact O-N 3.07Å; I10-L13 PolarHBondContact O-N 3.44Å; Q11-L13 PolarHBondContact O-N 3.17Å; L13-T17 WeakPolarHBondContact O-CB 3.39Å; L13-T17 PolarHBondContact O-N 2.94Å; L13-T17 PolarHBondContact O-OG1 3.25Å |
| 14 | R | 59.7 | Low | 56.2 | Low | 189 Ų | 189 | 119.3 Ų | 119.3 | 71% | 0.713 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.7 | -34.8 | 177.7 | -151.9 | 178.5 | -134.6 | 170.1 | 3.6 | 112.7 | I10 Q11 H12 T17 G18 | I10-R14 WeakPolarHBondContact O-CB 3.35Å; I10-R14 PolarHBondContact O-N 3.49Å; Q11-R14 CarbonylContact O-C 3.56Å; Q11-R14 PolarHBondContact O-N 3.38Å; Q11-R14 VanDerWaalsContact O-N 3.17Å; H12-R14 VanDerWaalsContact C-N 3.34Å; R14-T17 VanDerWaalsContact CA-OG1 3.26Å; R14-T17 WeakPolarHBondContact CA-OG1 3.34Å; R14-T17 PolarHBondContact O-OG1 2.83Å; R14-T17 VanDerWaalsContact O-OG1 3.13Å; R14-G18 PolarHBondContact O-N 3.16Å |
| 15 | D | 62.4 | Low | 56.1 | Low | 104 Ų | 104 | 112.2 Ų | 112.2 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.9 | -34 | 176.1 | -81.6 | -13.2 | 0 | 0 | 0 | 112 | Q11 R19 | Q11-D15 WeakPolarHBondContact O-CB 3.49Å; Q11-D15 PolarHBondContact O-N 3.36Å; D15-R19 WeakPolarHBondContact O-CB 3.4Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 3.19Å |
| 16 | L | 60.3 | Low | 56 | Low | 122 Ų | 122 | 117.4 Ų | 117.4 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.4 | -40.7 | 170 | -109.2 | 144.2 | 0 | 0 | 0 | 111.8 | H12 M20 | H12-L16 WeakPolarHBondContact O-CB 3.45Å; H12-L16 PolarHBondContact O-N 3.37Å; L16-M20 PolarHBondContact O-N 3.39Å |
| 17 | T | 58.1 | Low | 56.1 | Low | 88 Ų | 88 | 114.6 Ų | 114.6 | 54% | 0.54 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74 | -31.8 | 175.4 | 39.5 | 0 | 0 | 0 | 0 | 112.8 | L13 R14 S21 | L13-T17 WeakPolarHBondContact O-CB 3.39Å; L13-T17 PolarHBondContact O-N 2.94Å; L13-T17 PolarHBondContact O-OG1 3.25Å; R14-T17 VanDerWaalsContact CA-OG1 3.26Å; R14-T17 WeakPolarHBondContact CA-OG1 3.34Å; R14-T17 PolarHBondContact O-OG1 2.83Å; R14-T17 VanDerWaalsContact O-OG1 3.13Å; T17-S21 PolarHBondContact O-N 3.47Å |
| 18 | G | 58.4 | Low | 56.3 | Low | 33 Ų | 33 | 112.8 Ų | 112.8 | 34% | 0.34 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.7 | -33.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R14 M20 S21 | R14-G18 PolarHBondContact O-N 3.16Å; G18-M20 VanDerWaalsContact C-N 3.32Å; G18-S21 PolarHBondContact O-N 3.46Å; G18-S21 PolarHBondContact O-OG 3.06Å |
| 19 | R | 58.1 | Low | 56.4 | Low | 217 Ų | 217 | 106.8 Ų | 106.8 | 82% | 0.819 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -77 | -17.3 | 173.6 | -75.7 | -178 | 157.3 | -176.1 | -5.3 | 113.8 | D15 | D15-R19 WeakPolarHBondContact O-CB 3.4Å; D15-R19 WeakPolarHBondContact O-CG 3.44Å; D15-R19 PolarHBondContact O-N 3.19Å |
| 20 | M | 53.5 | Low | 57 | Low | 121 Ų | 121 | 104.7 Ų | 104.7 | 60% | 0.596 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -86.6 | -20.3 | 172.1 | -112.1 | 175 | 49.7 | 0 | 0 | 113.2 | L16 G18 L32 | L16-M20 PolarHBondContact O-N 3.39Å; G18-M20 VanDerWaalsContact C-N 3.32Å; M20-L32 HydrophobicContact CE-CD1 4.36Å |
| 21 | S | 50.8 | Low | 57.5 | Low | 95 Ų | 95 | 101 Ų | 101 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -93 | -14 | -178.9 | 76.2 | 0 | 0 | 0 | 0 | 114.4 | T17 G18 | T17-S21 PolarHBondContact O-N 3.47Å; G18-S21 PolarHBondContact O-N 3.46Å; G18-S21 PolarHBondContact O-OG 3.06Å |
| 22 | S | 48.1 | Very low | 58.3 | Low | 98 Ų | 98 | 100.2 Ų | 100.2 | 69% | 0.685 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -89.1 | -2.6 | -176.7 | 71.7 | 0 | 0 | 0 | 0 | 115.5 | G24 | S22-G24 PolarHBondContact O-N 3.47Š|
| 23 | S | 45.7 | Very low | 59.1 | Low | 90 Ų | 90 | 102 Ų | 102 | 63% | 0.629 | 59% | 0.592 | S | S | * | * | trans | -96.5 | 82.8 | 169.1 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | G25 | S23-G25 PolarHBondContact O-N 2.91Š| ||
| 24 | G | 47.9 | Very low | 60.3 | Low | 85 Ų | 85 | 102.9 Ų | 102.9 | 88% | 0.876 | 60% | 0.597 | S | S | * | * | trans | -71 | 64.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S22 | S22-G24 PolarHBondContact O-N 3.47Š| ||
| 25 | G | 44.3 | Very low | 61.4 | Low | 42 Ų | 42 | 100 Ų | 100 | 43% | 0.433 | 60% | 0.595 | S | S | . | * | trans | -92.8 | 134.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S23 G27 A28 | S23-G25 PolarHBondContact O-N 2.91Å; G25-G27 PolarHBondContact O-N 2.96Å; G25-A28 PolarHBondContact O-N 3.46Å | ||
| 26 | K | 52.6 | Low | 62.5 | Low | 215 Ų | 215 | 100.5 Ų | 100.5 | 94% | 0.935 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -4.9 | 174 | -70.4 | 177.2 | 176 | 177 | 0 | 114.3 | ||
| 27 | G | 55.4 | Low | 63.8 | Low | 49 Ų | 49 | 96.2 Ų | 96.2 | 51% | 0.505 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.6 | -14.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | G25 L30 G31 | G25-G27 PolarHBondContact O-N 2.96Å; G27-L30 PolarHBondContact O-N 3.29Å; G27-G31 PolarHBondContact O-N 3.1Å |
| 28 | A | 59.8 | Low | 65.1 | Low | 51 Ų | 51 | 94.8 Ų | 94.8 | 42% | 0.421 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.5 | -41 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G25 L30 G31 L32 | G25-A28 PolarHBondContact O-N 3.46Å; A28-L30 VanDerWaalsContact C-N 3.33Å; A28-G31 PolarHBondContact O-N 3.44Å; A28-L32 PolarHBondContact O-N 3.32Å |
| 29 | G | 64.3 | Low | 66.4 | Low | 48 Ų | 48 | 95.1 Ų | 95.1 | 50% | 0.495 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.8 | -29.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K33 | G29-K33 WeakPolarHBondContact O-CG 3.02Å; G29-K33 PolarHBondContact O-N 3.03Å |
| 30 | L | 70.7 | Confident | 67.7 | Low | 115 Ų | 115 | 87.9 Ų | 87.9 | 60% | 0.602 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72 | -40.8 | 173.9 | -134.1 | 103.2 | 0 | 0 | 0 | 110.9 | G27 A28 K33 L34 | G27-L30 PolarHBondContact O-N 3.29Å; A28-L30 VanDerWaalsContact C-N 3.33Å; L30-K33 PolarHBondContact O-N 3.05Å; L30-L34 HydrophobicContact CD2-CD1 4.39Å; L30-L34 WeakPolarHBondContact O-CB 2.95Å; L30-L34 PolarHBondContact O-N 3.11Å |
| 31 | G | 75.1 | Confident | 69.2 | Low | 29 Ų | 29 | 88 Ų | 88 | 30% | 0.299 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.6 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G27 A28 L34 L35 | G27-G31 PolarHBondContact O-N 3.1Å; A28-G31 PolarHBondContact O-N 3.44Å; G31-L34 PolarHBondContact O-N 3.18Å; G31-L35 WeakPolarHBondContact O-CB 3.24Å; G31-L35 VanDerWaalsContact O-CG 3.31Å; G31-L35 WeakPolarHBondContact O-CG 3.35Å; G31-L35 PolarHBondContact O-N 3.26Å |
| 32 | L | 79.1 | Confident | 70.8 | Confident | 85 Ų | 85 | 86.4 Ų | 86.4 | 45% | 0.445 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66 | -39.8 | 174.7 | -174.2 | 62.3 | 0 | 0 | 0 | 112.3 | M20 A28 L35 L36 | M20-L32 HydrophobicContact CE-CD1 4.36Å; A28-L32 PolarHBondContact O-N 3.32Å; L32-L35 PolarHBondContact O-N 3.1Å; L32-L36 HydrophobicContact CD1-CD1 4.49Å; L32-L36 HydrophobicContact CG-CD1 4.17Å; L32-L36 WeakPolarHBondContact O-CB 3.13Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 3.38Å |
| 33 | K | 77.4 | Confident | 72.6 | Confident | 164 Ų | 164 | 88.9 Ų | 88.9 | 71% | 0.713 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.3 | -39.7 | 174.4 | -73.7 | 180 | -177.5 | -174 | 0 | 112.4 | G29 L30 G37 | G29-K33 WeakPolarHBondContact O-CG 3.02Å; G29-K33 PolarHBondContact O-N 3.03Å; L30-K33 PolarHBondContact O-N 3.05Å; K33-G37 PolarHBondContact O-N 2.78Å |
| 34 | L | 84.1 | Confident | 74.4 | Confident | 120 Ų | 120 | 86.1 Ų | 86.1 | 63% | 0.628 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 174.2 | -93.8 | 158.5 | 0 | 0 | 0 | 111.7 | L30 G31 G37 A38 | L30-L34 HydrophobicContact CD2-CD1 4.39Å; L30-L34 WeakPolarHBondContact O-CB 2.95Å; L30-L34 PolarHBondContact O-N 3.11Å; G31-L34 PolarHBondContact O-N 3.18Å; L34-G37 PolarHBondContact O-N 3Å; L34-A38 WeakPolarHBondContact O-CB 3.39Å; L34-A38 PolarHBondContact O-N 2.83Å |
| 35 | L | 82.7 | Confident | 76.1 | Confident | 128 Ų | 128 | 87.3 Ų | 87.3 | 67% | 0.67 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.3 | -40.6 | 176.4 | -75.3 | 173.1 | 0 | 0 | 0 | 112.4 | G31 L32 G39 | G31-L35 WeakPolarHBondContact O-CB 3.24Å; G31-L35 VanDerWaalsContact O-CG 3.31Å; G31-L35 WeakPolarHBondContact O-CG 3.35Å; G31-L35 PolarHBondContact O-N 3.26Å; L32-L35 PolarHBondContact O-N 3.1Å; L35-G39 PolarHBondContact O-N 2.89Å |
| 36 | L | 85.5 | Confident | 78 | Confident | 115 Ų | 115 | 93 Ų | 93 | 60% | 0.602 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.3 | -41 | 173.9 | -75.2 | 168.7 | 0 | 0 | 0 | 111.8 | L32 G39 A40 | L32-L36 HydrophobicContact CD1-CD1 4.49Å; L32-L36 HydrophobicContact CG-CD1 4.17Å; L32-L36 WeakPolarHBondContact O-CB 3.13Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 3.38Å; L36-G39 PolarHBondContact O-N 3.47Å; L36-A40 VanDerWaalsContact O-CB 3.29Å; L36-A40 WeakPolarHBondContact O-CB 3.27Å; L36-A40 PolarHBondContact O-N 3.42Å |
| 37 | G | 87.4 | Confident | 79.5 | Confident | 33 Ų | 33 | 86.3 Ų | 86.3 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K33 L34 A40 L41 | K33-G37 PolarHBondContact O-N 2.78Å; L34-G37 PolarHBondContact O-N 3Å; G37-A40 PolarHBondContact O-N 3.42Å; G37-L41 WeakPolarHBondContact O-CB 3.19Å; G37-L41 VanDerWaalsContact O-CG 3.31Å; G37-L41 WeakPolarHBondContact O-CG 3.41Å; G37-L41 PolarHBondContact O-N 3.25Å |
| 38 | A | 85.7 | Confident | 80.8 | Confident | 57 Ų | 57 | 84.6 Ų | 84.6 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L34 L41 A42 | L34-A38 WeakPolarHBondContact O-CB 3.39Å; L34-A38 PolarHBondContact O-N 2.83Å; A38-L41 PolarHBondContact O-N 3.47Å; A38-A42 VanDerWaalsContact O-CB 3.3Å; A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 2.85Å |
| 39 | G | 87.2 | Confident | 82.1 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 42% | 0.423 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L35 L36 A42 Y43 | L35-G39 PolarHBondContact O-N 2.89Å; L36-G39 PolarHBondContact O-N 3.47Å; G39-A42 PolarHBondContact O-N 3.22Å; G39-Y43 VanDerWaalsContact O-CB 3.29Å; G39-Y43 WeakPolarHBondContact O-CB 3.46Å; G39-Y43 PolarHBondContact O-N 2.93Å |
| 40 | A | 84.5 | Confident | 83.2 | Confident | 65 Ų | 65 | 83.1 Ų | 83.1 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L36 G37 G44 | L36-A40 VanDerWaalsContact O-CB 3.29Å; L36-A40 WeakPolarHBondContact O-CB 3.27Å; L36-A40 PolarHBondContact O-N 3.42Å; G37-A40 PolarHBondContact O-N 3.42Å; A40-G44 PolarHBondContact O-N 2.84Å |
| 41 | L | 84.8 | Confident | 84.1 | Confident | 124 Ų | 124 | 81.9 Ų | 81.9 | 65% | 0.649 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.4 | -44.6 | 174.9 | -73.4 | 172.5 | 0 | 0 | 0 | 111.9 | G37 A38 Y43 G44 L45 | G37-L41 WeakPolarHBondContact O-CB 3.19Å; G37-L41 VanDerWaalsContact O-CG 3.31Å; G37-L41 WeakPolarHBondContact O-CG 3.41Å; G37-L41 PolarHBondContact O-N 3.25Å; A38-L41 PolarHBondContact O-N 3.47Å; L41-Y43 VanDerWaalsContact C-N 3.32Å; L41-Y43 PolarHBondContact O-N 2.77Å; L41-G44 PolarHBondContact O-N 3.42Å; L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 WeakPolarHBondContact O-CG 3.31Å; L41-L45 PolarHBondContact O-N 3.42Å |
| 42 | A | 84.8 | Confident | 84.8 | Confident | 61 Ų | 61 | 80.7 Ų | 80.7 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A38 G39 K46 | A38-A42 VanDerWaalsContact O-CB 3.3Å; A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 2.85Å; G39-A42 PolarHBondContact O-N 3.22Å; A42-K46 WeakPolarHBondContact O-CB 3.34Å; A42-K46 PolarHBondContact O-N 3.39Å |
| 43 | Y | 85.3 | Confident | 85.2 | Confident | 150 Ų | 150 | 82.7 Ų | 82.7 | 59% | 0.588 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.2 | -43.3 | 173.8 | -176.5 | -100.5 | 0 | 0 | 0 | 111.8 | G39 L41 L45 K46 E47 | G39-Y43 VanDerWaalsContact O-CB 3.29Å; G39-Y43 WeakPolarHBondContact O-CB 3.46Å; G39-Y43 PolarHBondContact O-N 2.93Å; L41-Y43 VanDerWaalsContact C-N 3.32Å; L41-Y43 PolarHBondContact O-N 2.77Å; Y43-L45 PolarHBondContact O-N 2.98Å; Y43-K46 PolarHBondContact O-N 2.97Å; Y43-E47 WeakPolarHBondContact O-CB 3.14Å; Y43-E47 PolarHBondContact O-N 3.4Å |
| 44 | G | 83.9 | Confident | 85.6 | Confident | 31 Ų | 31 | 76.6 Ų | 76.6 | 32% | 0.32 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A40 L41 E47 A48 | A40-G44 PolarHBondContact O-N 2.84Å; L41-G44 PolarHBondContact O-N 3.42Å; G44-E47 PolarHBondContact O-N 3.37Å; G44-A48 WeakPolarHBondContact O-CB 3.34Å; G44-A48 PolarHBondContact O-N 3.41Å |
| 45 | L | 84.3 | Confident | 85.7 | Confident | 111 Ų | 111 | 71.8 Ų | 71.8 | 58% | 0.581 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67 | -41.5 | 176 | -71.1 | 173.3 | 0 | 0 | 0 | 112.1 | L41 Y43 E47 A48 T49 | L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 WeakPolarHBondContact O-CG 3.31Å; L41-L45 PolarHBondContact O-N 3.42Å; Y43-L45 PolarHBondContact O-N 2.98Å; L45-E47 VanDerWaalsContact C-N 3.34Å; L45-A48 PolarHBondContact O-N 3.25Å; L45-T49 WeakPolarHBondContact O-CB 3.29Å; L45-T49 PolarHBondContact O-N 3.36Å; L45-T49 PolarHBondContact O-OG1 3.37Å |
| 46 | K | 84 | Confident | 86.1 | Confident | 162 Ų | 162 | 67.9 Ų | 67.9 | 70% | 0.704 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.9 | -45.5 | 174.9 | -177.2 | -170.8 | 173.8 | -169.8 | 0 | 111 | A42 Y43 T49 | A42-K46 WeakPolarHBondContact O-CB 3.34Å; A42-K46 PolarHBondContact O-N 3.39Å; Y43-K46 PolarHBondContact O-N 2.97Å; K46-T49 PolarHBondContact O-N 2.9Å |
| 47 | E | 83.9 | Confident | 86.4 | Confident | 73 Ų | 73 | 65.3 Ų | 65.3 | 34% | 0.341 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.2 | -34.8 | -179.8 | -166.9 | 63.7 | -160.6 | 0 | 0 | 111.6 | Y43 G44 L45 T49 R80 P82 | Y43-E47 WeakPolarHBondContact O-CB 3.14Å; Y43-E47 PolarHBondContact O-N 3.4Å; G44-E47 PolarHBondContact O-N 3.37Å; L45-E47 VanDerWaalsContact C-N 3.34Å; E47-T49 VanDerWaalsContact C-N 3.3Å; E47-T49 PolarHBondContact O-N 3.29Å; E47-R80 PolarHBondContact O-NE 2.84Å; E47-R80 PolarHBondContact O-NH2 2.93Å; E47-R80 IonicContact OE1-CZ 2.97Å; E47-R80 IonicContact OE1-NH2 2.8Å; E47-R80 PolarHBondContact OE1-NH2 2.85Å; E47-R80 IonicContact OE2-NH2 3.58Å; E47-P82 HydrophobicContact CB-CG 4.31Å; E47-P82 HydrophobicContact CG-CB 4.15Å; E47-P82 HydrophobicContact CG-CG 4.21Å |
| 48 | A | 83.3 | Confident | 86.5 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 12% | 0.116 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72.5 | -21.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G44 L45 F79 R80 P82 | G44-A48 WeakPolarHBondContact O-CB 3.34Å; G44-A48 PolarHBondContact O-N 3.41Å; L45-A48 PolarHBondContact O-N 3.25Å; A48-F79 CarbonylContact O-C 3.5Å; A48-F79 WeakPolarHBondContact O-CA 3.48Å; A48-R80 VanDerWaalsContact CA-O 3.29Å; A48-R80 WeakPolarHBondContact CA-O 3.5Å; A48-R80 VanDerWaalsContact CB-O 3.29Å; A48-R80 WeakPolarHBondContact CB-O 3.47Å; A48-R80 WeakPolarHBondContact O-CG 3.41Å; A48-R80 PolarHBondContact O-N 3.27Å; A48-P82 HydrophobicContact CB-CG 3.91Å |
| 49 | T | 86.6 | Confident | 86.7 | Confident | 43 Ų | 43 | 61 Ų | 61 | 26% | 0.264 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.2 | -178.5 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | L45 K46 E47 L77 F79 | L45-T49 WeakPolarHBondContact O-CB 3.29Å; L45-T49 PolarHBondContact O-N 3.36Å; L45-T49 PolarHBondContact O-OG1 3.37Å; K46-T49 PolarHBondContact O-N 2.9Å; E47-T49 VanDerWaalsContact C-N 3.3Å; E47-T49 PolarHBondContact O-N 3.29Å; T49-L77 HydrophobicContact CG2-CD1 3.64Å; T49-L77 HydrophobicContact CG2-CD2 3.64Å; T49-L77 HydrophobicContact CG2-CG 3.53Å; T49-F79 HydrophobicContact CG2-CE1 4.37Å; T49-F79 WeakPolarHBondContact OG1-CE1 3.38Å |
| 50 | Y | 87.5 | Confident | 86.8 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 9% | 0.094 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 150.3 | 169.6 | 71.6 | -79 | 0 | 0 | 0 | 110.4 | V52 A58 L73 H78 R80 P87 | Y50-V52 HydrophobicContact CD2-CG2 4.12Å; Y50-V52 HydrophobicContact CE2-CG2 3.72Å; Y50-A58 HydrophobicContact CE2-CB 4.07Å; Y50-L73 WeakPolarHBondContact OH-CD1 3.25Å; Y50-H78 HydrophobicContact CD1-CB 4.25Å; Y50-H78 WeakPolarHBondContact CD1-O 3.24Å; Y50-H78 HydrophobicContact CE1-CB 3.62Å; Y50-H78 HydrophobicContact CE2-CB 3.98Å; Y50-H78 VanDerWaalsContact CZ-CB 3.48Å; Y50-H78 PolarHBondContact N-O 3.22Å; Y50-H78 PolarHBondContact O-N 2.9Å; Y50-H78 VanDerWaalsContact O-O 3.07Å; Y50-R80 HydrophobicContact CD1-CB 4.02Å; Y50-R80 HydrophobicContact CD1-CG 3.93Å; Y50-R80 HydrophobicContact CE1-CB 3.8Å; Y50-R80 HydrophobicContact CE1-CG 4.24Å; Y50-P87 HydrophobicContact CD1-CG 4.26Å; Y50-P87 HydrophobicContact CD2-CB 4.08Å; Y50-P87 HydrophobicContact CD2-CG 4.14Å; Y50-P87 HydrophobicContact CE1-CB 4.18Å; Y50-P87 HydrophobicContact CE1-CG 4.26Å; Y50-P87 HydrophobicContact CE2-CB 3.61Å; Y50-P87 HydrophobicContact CE2-CG 4.15Å; Y50-P87 HydrophobicContact CG-CG 4.19Å |
| 51 | T | 88.4 | Confident | 87 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 55% | 0.552 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.6 | -178.5 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 52 | V | 90.1 | Very high | 87.2 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.5 | 171.7 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | Y50 Q56 A58 G76 | Y50-V52 HydrophobicContact CD2-CG2 4.12Å; Y50-V52 HydrophobicContact CE2-CG2 3.72Å; V52-Q56 HydrophobicContact CG1-CB 3.92Å; V52-A58 HydrophobicContact CG2-CB 3.58Å; V52-G76 PolarHBondContact N-O 2.87Å; V52-G76 PolarHBondContact O-N 2.87Å |
| 53 | E | 88 | Confident | 87.1 | Confident | 128 Ų | 128 | 60.1 Ų | 60.1 | 60% | 0.598 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 158 | -179.8 | -62.9 | -176.2 | 168.9 | 0 | 0 | 112 | G55 Q56 | E53-G55 PolarHBondContact O-N 2.85Å; E53-Q56 WeakPolarHBondContact O-CB 3.32Å; E53-Q56 PolarHBondContact O-N 3.44Å |
| 54 | G | 86.1 | Confident | 86.9 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 37% | 0.371 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 132.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q56 E75 R93 | G54-Q56 VanDerWaalsContact C-N 3.32Å; G54-E75 WeakPolarHBondContact CA-OE2 3.34Å; G54-R93 PolarHBondContact O-NH2 2.88Å |
| 55 | G | 85.7 | Confident | 86.6 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 19% | 0.186 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 12.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E53 I92 | E53-G55 PolarHBondContact O-N 2.85Å; G55-I92 VanDerWaalsContact C-CG1 3.49Å; G55-I92 WeakPolarHBondContact O-CG1 3.41Å; G55-I92 PolarHBondContact O-N 3.2Å; G55-I92 VanDerWaalsContact O-N 3.11Å |
| 56 | Q | 91.4 | Very high | 86.5 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 160.8 | 164.9 | -64.4 | 173.9 | -7.8 | 0 | 0 | 110.8 | V52 E53 G54 I89 Y90 | V52-Q56 HydrophobicContact CG1-CB 3.92Å; E53-Q56 WeakPolarHBondContact O-CB 3.32Å; E53-Q56 PolarHBondContact O-N 3.44Å; G54-Q56 VanDerWaalsContact C-N 3.32Å; Q56-I89 HydrophobicContact CB-CG2 3.85Å; Q56-I89 HydrophobicContact CG-CG2 4.12Å; Q56-Y90 CarbonylContact C-O 3.53Å; Q56-Y90 WeakPolarHBondContact CA-O 3.5Å; Q56-Y90 VanDerWaalsContact CB-O 3.31Å; Q56-Y90 WeakPolarHBondContact CB-O 3.31Å |
| 57 | R | 90.8 | Very high | 86.4 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 23% | 0.234 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.1 | 171.3 | -72.3 | -65.7 | -169.1 | -120.9 | 8.4 | 108.7 | I72 L73 A74 Y90 I92 L126 | R57-I72 HydrophobicContact CB-CG2 4.4Å; R57-I72 HydrophobicContact CG-CG2 4.45Å; R57-L73 WeakPolarHBondContact CD-O 3.41Å; R57-A74 VanDerWaalsContact NH1-CA 3.29Å; R57-Y90 PolarHBondContact N-O 2.94Å; R57-Y90 PolarHBondContact O-N 3.43Å; R57-I92 HydrophobicContact CB-CG2 4.06Å; R57-I92 HydrophobicContact CG-CD1 4.01Å; R57-I92 HydrophobicContact CG-CG1 4.4Å; R57-I92 HydrophobicContact CG-CG2 3.76Å; R57-L126 HydrophobicContact CB-CD1 3.41Å; R57-L126 VanDerWaalsContact CB-CD1 3.41Å; R57-L126 HydrophobicContact CG-CD1 4.05Å |
| 58 | A | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y50 V52 L73 I88 I89 | Y50-A58 HydrophobicContact CE2-CB 4.07Å; V52-A58 HydrophobicContact CG2-CB 3.58Å; A58-L73 HydrophobicContact CB-CB 4.28Å; A58-L73 PolarHBondContact N-O 3.34Å; A58-L73 VanDerWaalsContact N-O 3.12Å; A58-L73 PolarHBondContact O-N 3.41Å; A58-I88 WeakPolarHBondContact CA-O 3.46Å; A58-I89 HydrophobicContact CB-CG1 4.45Å |
| 59 | I | 90.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143.2 | 168.6 | 64.6 | -161.4 | 0 | 0 | 0 | 108.1 | M67 I88 Y90 L126 P127 Y130 | I59-M67 HydrophobicContact CB-CE 3.87Å; I59-M67 HydrophobicContact CD1-CE 3.21Å; I59-M67 HydrophobicContact CG1-CE 3.57Å; I59-I88 HydrophobicContact CD1-CB 4.28Å; I59-I88 HydrophobicContact CD1-CG2 4.3Å; I59-I88 HydrophobicContact CG1-CB 3.78Å; I59-I88 HydrophobicContact CG1-CD1 4.35Å; I59-I88 HydrophobicContact CG1-CG2 4.31Å; I59-I88 PolarHBondContact N-O 3.26Å; I59-I88 PolarHBondContact O-N 2.84Å; I59-Y90 HydrophobicContact CD1-CD2 3.73Å; I59-Y90 HydrophobicContact CD1-CE2 3.44Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.44Å; I59-Y90 HydrophobicContact CG1-CD2 4.48Å; I59-L126 HydrophobicContact CG2-CB 3.76Å; I59-P127 HydrophobicContact CG2-CG 4.05Å; I59-Y130 HydrophobicContact CD1-CD1 4.38Å; I59-Y130 HydrophobicContact CD1-CD2 4.46Å; I59-Y130 HydrophobicContact CD1-CG 3.93Å |
| 60 | I | 88.8 | Confident | 85.3 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.051 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.5 | -176.1 | -63.9 | 167.1 | 0 | 0 | 0 | 109.9 | N62 Q68 T71 L73 Q85 | I60-N62 WeakPolarHBondContact CG2-OD1 3.38Å; I60-Q68 PolarHBondContact O-N 2.98Å; I60-Q68 VanDerWaalsContact O-N 3.14Å; I60-T71 HydrophobicContact CD1-CG2 4.39Å; I60-L73 HydrophobicContact CD1-CD1 3.42Å; I60-L73 VanDerWaalsContact CD1-CD1 3.42Å; I60-L73 HydrophobicContact CD1-CG 4.32Å; I60-L73 HydrophobicContact CG1-CD1 3.97Å; I60-Q85 HydrophobicContact CG2-CB 3.96Å; I60-Q85 HydrophobicContact CG2-CG 4.29Å |
| 61 | F | 89 | Confident | 84.8 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 119.6 | 166.9 | 177.5 | -99.7 | 0 | 0 | 0 | 110.1 | M67 Y86 I88 | F61-M67 HydrophobicContact CD2-CB 4.32Å; F61-Y86 HydrophobicContact CD1-CD2 4.18Å; F61-Y86 PolarHBondContact N-O 3.17Å; F61-Y86 PolarHBondContact O-N 2.91Å; F61-I88 HydrophobicContact CB-CD1 3.98Å |
| 62 | N | 88.4 | Confident | 84.5 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 132.2 | 174.3 | -66.5 | -26.3 | 0 | 0 | 0 | 110.5 | I60 V64 G66 Q68 F84 Q85 | I60-N62 WeakPolarHBondContact CG2-OD1 3.38Å; N62-V64 VanDerWaalsContact C-N 3.28Å; N62-V64 PolarHBondContact O-N 3.36Å; N62-G66 WeakPolarHBondContact CA-O 3.24Å; N62-G66 WeakPolarHBondContact CB-O 3.43Å; N62-G66 PolarHBondContact N-O 2.9Å; N62-G66 CarbonylContact O-C 3.48Å; N62-G66 VanDerWaalsContact O-CA 3.31Å; N62-G66 WeakPolarHBondContact O-CA 3.23Å; N62-G66 PolarHBondContact O-N 3.47Å; N62-Q68 VanDerWaalsContact ND2-CD 3.29Å; N62-Q68 WeakPolarHBondContact ND2-CG 3.35Å; N62-Q68 PolarHBondContact ND2-NE2 2.94Å; N62-F84 CarbonylContact C-O 3.4Å; N62-F84 VanDerWaalsContact CA-O 3.27Å; N62-F84 WeakPolarHBondContact CA-O 3.4Å; N62-Q85 VanDerWaalsContact OD1-CG 3.3Å; N62-Q85 WeakPolarHBondContact OD1-CG 3.38Å; N62-Q85 PolarHBondContact OD1-NE2 3.43Å |
| 63 | R | 82.8 | Confident | 84.2 | Confident | 156 Ų | 156 | 57.8 Ų | 57.8 | 59% | 0.589 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -28.5 | -179.7 | -166.8 | 157 | 82.4 | 147.1 | 3.3 | 114.1 | F84 Y86 | R63-F84 PolarHBondContact N-O 3.03Å; R63-Y86 HydrophobicContact CB-CE2 4.44Å |
| 64 | V | 81.9 | Confident | 84.1 | Confident | 124 Ų | 124 | 53.7 Ų | 53.7 | 75% | 0.752 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -35.2 | -177.7 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | N62 F84 | N62-V64 VanDerWaalsContact C-N 3.28Å; N62-V64 PolarHBondContact O-N 3.36Å; V64-F84 HydrophobicContact CG2-CD1 3.92Å; V64-F84 HydrophobicContact CG2-CE1 4Å |
| 65 | G | 76.3 | Confident | 84.2 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 66% | 0.66 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 5.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 66 | G | 83.3 | Confident | 84.3 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 68 | -153.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N62 | N62-G66 WeakPolarHBondContact CA-O 3.24Å; N62-G66 WeakPolarHBondContact CB-O 3.43Å; N62-G66 PolarHBondContact N-O 2.9Å; N62-G66 CarbonylContact O-C 3.48Å; N62-G66 VanDerWaalsContact O-CA 3.31Å; N62-G66 WeakPolarHBondContact O-CA 3.23Å; N62-G66 PolarHBondContact O-N 3.47Å |
| 67 | M | 81.2 | Confident | 84.1 | Confident | 22 Ų | 22 | 60.8 Ų | 60.8 | 11% | 0.108 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 131.9 | -175.1 | -171 | -177.7 | -160.8 | 0 | 0 | 112 | I59 F61 M69 P127 Y130 Q131 | I59-M67 HydrophobicContact CB-CE 3.87Å; I59-M67 HydrophobicContact CD1-CE 3.21Å; I59-M67 HydrophobicContact CG1-CE 3.57Å; F61-M67 HydrophobicContact CD2-CB 4.32Å; M67-M69 HydrophobicContact CB-CE 3.43Å; M67-M69 VanDerWaalsContact CB-CE 3.43Å; M67-M69 HydrophobicContact CG-CE 3.39Å; M67-M69 VanDerWaalsContact O-CE 3.27Å; M67-M69 WeakPolarHBondContact O-CE 3.38Å; M67-M69 PolarHBondContact O-N 3.41Å; M67-M69 HydrophobicContact SD-CE 3.49Å; M67-M69 WeakPolarHBondContact SD-CE 3.39Å; M67-P127 HydrophobicContact CE-CB 3.82Å; M67-P127 HydrophobicContact SD-CB 4.04Å; M67-Y130 HydrophobicContact CE-CD1 3.51Å; M67-Y130 HydrophobicContact CE-CE1 4.45Å; M67-Y130 HydrophobicContact CE-CG 3.98Å; M67-Y130 HydrophobicContact SD-CD1 3.72Å; M67-Q131 HydrophobicContact SD-CG 3.55Å; M67-Q131 VanDerWaalsContact SD-CG 3.55Å |
| 68 | Q | 81.1 | Confident | 84 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 112 | 175.4 | -66.8 | -177.4 | -37.1 | 0 | 0 | 110.2 | I60 N62 | I60-Q68 PolarHBondContact O-N 2.98Å; I60-Q68 VanDerWaalsContact O-N 3.14Å; N62-Q68 VanDerWaalsContact ND2-CD 3.29Å; N62-Q68 WeakPolarHBondContact ND2-CG 3.35Å; N62-Q68 PolarHBondContact ND2-NE2 2.94Å |
| 69 | M | 75 | Confident | 83.9 | Confident | 66 Ų | 66 | 66.3 Ų | 66.3 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -31.6 | -178.3 | -65.1 | -60.9 | 108.8 | 0 | 0 | 113.3 | M67 P127 V128 Q131 | M67-M69 HydrophobicContact CB-CE 3.43Å; M67-M69 VanDerWaalsContact CB-CE 3.43Å; M67-M69 HydrophobicContact CG-CE 3.39Å; M67-M69 VanDerWaalsContact O-CE 3.27Å; M67-M69 WeakPolarHBondContact O-CE 3.38Å; M67-M69 PolarHBondContact O-N 3.41Å; M67-M69 HydrophobicContact SD-CE 3.49Å; M67-M69 WeakPolarHBondContact SD-CE 3.39Å; M69-P127 HydrophobicContact CE-CB 3.82Å; M69-P127 WeakPolarHBondContact O-CG 3.36Å; M69-P127 HydrophobicContact SD-CB 3.74Å; M69-V128 HydrophobicContact SD-CG2 4.39Å; M69-Q131 HydrophobicContact CE-CG 4.17Å |
| 70 | D | 74.7 | Confident | 83.7 | Confident | 157 Ų | 157 | 68.3 Ų | 68.3 | 84% | 0.84 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -5.1 | -172.8 | -58.2 | -38.7 | 0 | 0 | 0 | 113.3 | ||
| 71 | T | 76.3 | Confident | 83.6 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 31% | 0.307 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 86.1 | -170.8 | -41.8 | 0 | 0 | 0 | 0 | 111 | I60 L73 | I60-T71 HydrophobicContact CD1-CG2 4.39Å; T71-L73 HydrophobicContact CG2-CD2 4.12Å; T71-L73 HydrophobicContact CG2-CG 4.33Å |
| 72 | I | 83.2 | Confident | 83.1 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.3 | 171.9 | -61.3 | 150.8 | 0 | 0 | 0 | 108.2 | R57 A123 S124 L126 P127 | R57-I72 HydrophobicContact CB-CG2 4.4Å; R57-I72 HydrophobicContact CG-CG2 4.45Å; I72-A123 WeakPolarHBondContact CD1-O 3.45Å; I72-S124 VanDerWaalsContact CD1-O 3.27Å; I72-S124 WeakPolarHBondContact CD1-O 3.47Å; I72-L126 HydrophobicContact CG2-CD1 4.48Å; I72-P127 HydrophobicContact CG1-CG 4.06Å |
| 73 | L | 84.5 | Confident | 82.7 | Confident | 31 Ų | 31 | 78 Ų | 78 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.2 | -178.1 | -64.4 | 176.6 | 0 | 0 | 0 | 110.4 | Y50 R57 A58 I60 T71 H78 | Y50-L73 WeakPolarHBondContact OH-CD1 3.25Å; R57-L73 WeakPolarHBondContact CD-O 3.41Å; A58-L73 HydrophobicContact CB-CB 4.28Å; A58-L73 PolarHBondContact N-O 3.34Å; A58-L73 VanDerWaalsContact N-O 3.12Å; A58-L73 PolarHBondContact O-N 3.41Å; I60-L73 HydrophobicContact CD1-CD1 3.42Å; I60-L73 VanDerWaalsContact CD1-CD1 3.42Å; I60-L73 HydrophobicContact CD1-CG 4.32Å; I60-L73 HydrophobicContact CG1-CD1 3.97Å; T71-L73 HydrophobicContact CG2-CD2 4.12Å; T71-L73 HydrophobicContact CG2-CG 4.33Å; L73-H78 HydrophobicContact CD1-CB 4.2Å |
| 74 | A | 85.9 | Confident | 82.9 | Confident | 42 Ų | 42 | 75.7 Ų | 75.7 | 35% | 0.347 | 41% | 0.408 | S | S | . | . | trans | -71.8 | 178.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R57 H78 | R57-A74 VanDerWaalsContact NH1-CA 3.29Å; A74-H78 PolarHBondContact O-NE2 3.07Å | ||
| 75 | E | 87.3 | Confident | 83.1 | Confident | 118 Ų | 118 | 71.3 Ų | 71.3 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -57.9 | 145.2 | 172.4 | 60.8 | -166.3 | -151.4 | 0 | 0 | 111.2 | G54 | G54-E75 WeakPolarHBondContact CA-OE2 3.34Š|
| 76 | G | 87.9 | Confident | 83.7 | Confident | 30 Ų | 30 | 73 Ų | 73 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.4 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V52 H78 | V52-G76 PolarHBondContact N-O 2.87Å; V52-G76 PolarHBondContact O-N 2.87Å; G76-H78 PolarHBondContact O-CD2 3.33Å; G76-H78 VanDerWaalsContact O-CD2 3.28Å |
| 77 | L | 88.1 | Confident | 84 | Confident | 101 Ų | 101 | 73.4 Ų | 73.4 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 121.8 | 177.6 | -176.1 | 147.5 | 0 | 0 | 0 | 109.3 | T49 F79 | T49-L77 HydrophobicContact CG2-CD1 3.64Å; T49-L77 HydrophobicContact CG2-CD2 3.64Å; T49-L77 HydrophobicContact CG2-CG 3.53Å; L77-F79 HydrophobicContact CD2-CD2 4.38Å; L77-F79 HydrophobicContact CD2-CE1 4.37Å; L77-F79 HydrophobicContact CD2-CE2 3.7Å; L77-F79 HydrophobicContact CD2-CZ 3.7Å |
| 78 | H | 87.9 | Confident | 84.4 | Confident | 39 Ų | 39 | 73.6 Ų | 73.6 | 18% | 0.181 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 152.6 | -178.7 | -66.9 | -73.5 | 0 | 0 | 0 | 110.6 | Y50 L73 A74 G76 | Y50-H78 HydrophobicContact CD1-CB 4.25Å; Y50-H78 WeakPolarHBondContact CD1-O 3.24Å; Y50-H78 HydrophobicContact CE1-CB 3.62Å; Y50-H78 HydrophobicContact CE2-CB 3.98Å; Y50-H78 VanDerWaalsContact CZ-CB 3.48Å; Y50-H78 PolarHBondContact N-O 3.22Å; Y50-H78 PolarHBondContact O-N 2.9Å; Y50-H78 VanDerWaalsContact O-O 3.07Å; L73-H78 HydrophobicContact CD1-CB 4.2Å; A74-H78 PolarHBondContact O-NE2 3.07Å; G76-H78 PolarHBondContact O-CD2 3.33Å; G76-H78 VanDerWaalsContact O-CD2 3.28Å |
| 79 | F | 87.1 | Confident | 84.8 | Confident | 139 Ų | 139 | 73.9 Ų | 73.9 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132 | 176.3 | -66.4 | -82.5 | 0 | 0 | 0 | 109.7 | A48 T49 L77 | A48-F79 CarbonylContact O-C 3.5Å; A48-F79 WeakPolarHBondContact O-CA 3.48Å; T49-F79 HydrophobicContact CG2-CE1 4.37Å; T49-F79 WeakPolarHBondContact OG1-CE1 3.38Å; L77-F79 HydrophobicContact CD2-CD2 4.38Å; L77-F79 HydrophobicContact CD2-CE1 4.37Å; L77-F79 HydrophobicContact CD2-CE2 3.7Å; L77-F79 HydrophobicContact CD2-CZ 3.7Å |
| 80 | R | 86.6 | Confident | 85.6 | Confident | 41 Ų | 41 | 71 Ų | 71 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | trans | -114.7 | 149.9 | 169.1 | 65.3 | 176 | -177.5 | 117.4 | -2.2 | 109.5 | E47 A48 Y50 P82 Q85 | E47-R80 PolarHBondContact O-NE 2.84Å; E47-R80 PolarHBondContact O-NH2 2.93Å; E47-R80 IonicContact OE1-CZ 2.97Å; E47-R80 IonicContact OE1-NH2 2.8Å; E47-R80 PolarHBondContact OE1-NH2 2.85Å; E47-R80 IonicContact OE2-NH2 3.58Å; A48-R80 VanDerWaalsContact CA-O 3.29Å; A48-R80 WeakPolarHBondContact CA-O 3.5Å; A48-R80 VanDerWaalsContact CB-O 3.29Å; A48-R80 WeakPolarHBondContact CB-O 3.47Å; A48-R80 WeakPolarHBondContact O-CG 3.41Å; A48-R80 PolarHBondContact O-N 3.27Å; Y50-R80 HydrophobicContact CD1-CB 4.02Å; Y50-R80 HydrophobicContact CD1-CG 3.93Å; Y50-R80 HydrophobicContact CE1-CB 3.8Å; Y50-R80 HydrophobicContact CE1-CG 4.24Å; R80-P82 VanDerWaalsContact O-CD 3.24Å; R80-P82 WeakPolarHBondContact O-CD 3.47Å; R80-Q85 HydrophobicContact CB-CB 4.11Å | ||
| 81 | I | 86.9 | Confident | 86.4 | Confident | 98 Ų | 98 | 65.5 Ų | 65.5 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | trans | -81.9 | 111.9 | 166.1 | -60.3 | 164.5 | 0 | 0 | 0 | 107.3 | F84 Q85 | I81-F84 HydrophobicContact CG2-CB 4.26Å; I81-F84 HydrophobicContact CG2-CD2 3.97Å; I81-F84 PolarHBondContact O-N 3.42Å; I81-Q85 HydrophobicContact CB-CG 4.08Å; I81-Q85 PolarHBondContact O-N 2.85Å | ||
| 82 | P | 78.5 | Confident | 87 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 21% | 0.208 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 147.9 | 177.3 | -24.2 | 36.9 | 0 | 0 | 0 | 109.9 | E47 A48 R80 F84 | E47-P82 HydrophobicContact CB-CG 4.31Å; E47-P82 HydrophobicContact CG-CB 4.15Å; E47-P82 HydrophobicContact CG-CG 4.21Å; A48-P82 HydrophobicContact CB-CG 3.91Å; R80-P82 VanDerWaalsContact O-CD 3.24Å; R80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-F84 PolarHBondContact O-N 3.19Å; P82-F84 VanDerWaalsContact O-N 3.09Å |
| 83 | W | 80.8 | Confident | 87.5 | Confident | 188 Ų | 188 | 69.4 Ų | 69.4 | 71% | 0.712 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | -29.3 | -178.2 | -52.6 | 72.5 | 0 | 0 | 0 | 117.2 | ||
| 84 | F | 86.1 | Confident | 87.8 | Confident | 109 Ų | 109 | 70 Ų | 70 | 48% | 0.478 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -33.9 | -179.6 | -69.3 | -83.4 | 0 | 0 | 0 | 112.8 | N62 R63 V64 I81 P82 | N62-F84 CarbonylContact C-O 3.4Å; N62-F84 VanDerWaalsContact CA-O 3.27Å; N62-F84 WeakPolarHBondContact CA-O 3.4Å; R63-F84 PolarHBondContact N-O 3.03Å; V64-F84 HydrophobicContact CG2-CD1 3.92Å; V64-F84 HydrophobicContact CG2-CE1 4Å; I81-F84 HydrophobicContact CG2-CB 4.26Å; I81-F84 HydrophobicContact CG2-CD2 3.97Å; I81-F84 PolarHBondContact O-N 3.42Å; P82-F84 PolarHBondContact O-N 3.19Å; P82-F84 VanDerWaalsContact O-N 3.09Å |
| 85 | Q | 87.8 | Confident | 88.1 | Confident | 32 Ų | 32 | 72.4 Ų | 72.4 | 15% | 0.15 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.4 | -174.5 | -55.7 | -169.1 | -44 | 0 | 0 | 111.2 | I60 N62 R80 I81 | I60-Q85 HydrophobicContact CG2-CB 3.96Å; I60-Q85 HydrophobicContact CG2-CG 4.29Å; N62-Q85 VanDerWaalsContact OD1-CG 3.3Å; N62-Q85 WeakPolarHBondContact OD1-CG 3.38Å; N62-Q85 PolarHBondContact OD1-NE2 3.43Å; R80-Q85 HydrophobicContact CB-CB 4.11Å; I81-Q85 HydrophobicContact CB-CG 4.08Å; I81-Q85 PolarHBondContact O-N 2.85Å |
| 86 | Y | 88.5 | Confident | 88.5 | Confident | 100 Ų | 100 | 71.1 Ų | 71.1 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 108.5 | 177.6 | -64.2 | -86.5 | 0 | 0 | 0 | 109.2 | F61 R63 | F61-Y86 HydrophobicContact CD1-CD2 4.18Å; F61-Y86 PolarHBondContact N-O 3.17Å; F61-Y86 PolarHBondContact O-N 2.91Å; R63-Y86 HydrophobicContact CB-CE2 4.44Å |
| 87 | P | 88.6 | Confident | 88.7 | Confident | 36 Ų | 36 | 72.9 Ų | 72.9 | 23% | 0.234 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 128 | 176 | 30.6 | -33.6 | 0 | 0 | 0 | 109.9 | Y50 | Y50-P87 HydrophobicContact CD1-CG 4.26Å; Y50-P87 HydrophobicContact CD2-CB 4.08Å; Y50-P87 HydrophobicContact CD2-CG 4.14Å; Y50-P87 HydrophobicContact CE1-CB 4.18Å; Y50-P87 HydrophobicContact CE1-CG 4.26Å; Y50-P87 HydrophobicContact CE2-CB 3.61Å; Y50-P87 HydrophobicContact CE2-CG 4.15Å; Y50-P87 HydrophobicContact CG-CG 4.19Å |
| 88 | I | 89.9 | Confident | 89 | Confident | 25 Ų | 25 | 75.2 Ų | 75.2 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.4 | 172.7 | -61.2 | 148.3 | 0 | 0 | 0 | 107 | A58 I59 F61 Y90 Y130 | A58-I88 WeakPolarHBondContact CA-O 3.46Å; I59-I88 HydrophobicContact CD1-CB 4.28Å; I59-I88 HydrophobicContact CD1-CG2 4.3Å; I59-I88 HydrophobicContact CG1-CB 3.78Å; I59-I88 HydrophobicContact CG1-CD1 4.35Å; I59-I88 HydrophobicContact CG1-CG2 4.31Å; I59-I88 PolarHBondContact N-O 3.26Å; I59-I88 PolarHBondContact O-N 2.84Å; F61-I88 HydrophobicContact CB-CD1 3.98Å; I88-Y90 HydrophobicContact CG2-CD2 4.03Å; I88-Y90 HydrophobicContact CG2-CE2 3.78Å; I88-Y130 HydrophobicContact CD1-CD1 4.12Å; I88-Y130 HydrophobicContact CD1-CE1 3.43Å; I88-Y130 VanDerWaalsContact CD1-CE1 3.43Å; I88-Y130 HydrophobicContact CD1-CE2 3.92Å; I88-Y130 WeakPolarHBondContact CD1-OH 3.36Å; I88-Y130 HydrophobicContact CG2-CD2 4.3Å; I88-Y130 HydrophobicContact CG2-CE2 4.02Å |
| 89 | I | 90.2 | Very high | 89.2 | Confident | 61 Ų | 61 | 74.1 Ų | 74.1 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.7 | -176.3 | -57.6 | 171.3 | 0 | 0 | 0 | 109 | Q56 A58 | Q56-I89 HydrophobicContact CB-CG2 3.85Å; Q56-I89 HydrophobicContact CG-CG2 4.12Å; A58-I89 HydrophobicContact CB-CG1 4.45Å |
| 90 | Y | 90.9 | Very high | 89.5 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 2% | 0.024 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139.4 | 174.9 | -91.3 | -91.2 | 0 | 0 | 0 | 111.1 | Q56 R57 I59 I88 L126 M129 Y130 G134 K135 Y137 | Q56-Y90 CarbonylContact C-O 3.53Å; Q56-Y90 WeakPolarHBondContact CA-O 3.5Å; Q56-Y90 VanDerWaalsContact CB-O 3.31Å; Q56-Y90 WeakPolarHBondContact CB-O 3.31Å; R57-Y90 PolarHBondContact N-O 2.94Å; R57-Y90 PolarHBondContact O-N 3.43Å; I59-Y90 HydrophobicContact CD1-CD2 3.73Å; I59-Y90 HydrophobicContact CD1-CE2 3.44Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.44Å; I59-Y90 HydrophobicContact CG1-CD2 4.48Å; I88-Y90 HydrophobicContact CG2-CD2 4.03Å; I88-Y90 HydrophobicContact CG2-CE2 3.78Å; Y90-L126 HydrophobicContact CD1-CD2 4.38Å; Y90-L126 HydrophobicContact CG-CD2 4.27Å; Y90-M129 HydrophobicContact CD1-CE 4.01Å; Y90-M129 HydrophobicContact CE1-CE 3.48Å; Y90-M129 VanDerWaalsContact CE1-CE 3.48Å; Y90-Y130 AromaticContact CE2-CD2 3.88Å; Y90-Y130 HydrophobicContact CE2-CD2 3.88Å; Y90-Y130 HydrophobicContact CE2-CG 4.33Å; Y90-Y130 AromaticContact CZ-CD2 3.98Å; Y90-Y130 WeakPolarHBondContact OH-CB 3.4Å; Y90-Y130 VanDerWaalsContact OH-CD2 3.23Å; Y90-Y130 WeakPolarHBondContact OH-CD2 3.43Å; Y90-G134 PolarHBondContact OH-O 3.49Å; Y90-K135 WeakPolarHBondContact OH-CA 3.38Å; Y90-Y137 HydrophobicContact CD1-CE1 4.38Å; Y90-Y137 HydrophobicContact CE1-CD1 4.01Å; Y90-Y137 HydrophobicContact CE1-CE1 4.13Å |
| 91 | D | 91.1 | Very high | 89.8 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 23% | 0.225 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 120.4 | 168.5 | -171.8 | -6.4 | 0 | 0 | 0 | 109.2 | R93 K95 P121 | D91-R93 VanDerWaalsContact OD1-CB 3.22Å; D91-R93 WeakPolarHBondContact OD1-CB 3.28Å; D91-R93 VanDerWaalsContact OD1-CG 3.25Å; D91-R93 WeakPolarHBondContact OD1-CG 3.43Å; D91-R93 PolarHBondContact OD1-N 3.38Å; D91-K95 WeakPolarHBondContact OD2-CE 3.32Å; D91-K95 IonicContact OD2-NZ 3.28Å; D91-K95 PolarHBondContact OD2-NZ 2.95Å; D91-P121 WeakPolarHBondContact O-CG 3.4Å |
| 92 | I | 90.4 | Very high | 90.2 | Very high | 37 Ų | 37 | 70.5 Ų | 70.5 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | trans | -96.5 | 5 | 179.9 | 56.4 | 159.3 | 0 | 0 | 0 | 112.5 | G55 R57 P121 A123 L126 | G55-I92 VanDerWaalsContact C-CG1 3.49Å; G55-I92 WeakPolarHBondContact O-CG1 3.41Å; G55-I92 PolarHBondContact O-N 3.2Å; G55-I92 VanDerWaalsContact O-N 3.11Å; R57-I92 HydrophobicContact CB-CG2 4.06Å; R57-I92 HydrophobicContact CG-CD1 4.01Å; R57-I92 HydrophobicContact CG-CG1 4.4Å; R57-I92 HydrophobicContact CG-CG2 3.76Å; I92-P121 HydrophobicContact CG2-CG 4.3Å; I92-A123 HydrophobicContact CG2-CB 4.49Å; I92-L126 HydrophobicContact CG2-CD1 4.24Å | ||
| 93 | R | 91.8 | Very high | 90.8 | Very high | 150 Ų | 150 | 69.1 Ų | 69.1 | 57% | 0.566 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -76.2 | 150.3 | 177.3 | -60.1 | 174.2 | -177.5 | -171.4 | 3.3 | 110.9 | G54 D91 K95 | G54-R93 PolarHBondContact O-NH2 2.88Å; D91-R93 VanDerWaalsContact OD1-CB 3.22Å; D91-R93 WeakPolarHBondContact OD1-CB 3.28Å; D91-R93 VanDerWaalsContact OD1-CG 3.25Å; D91-R93 WeakPolarHBondContact OD1-CG 3.43Å; D91-R93 PolarHBondContact OD1-N 3.38Å; R93-K95 PolarHBondContact O-N 3.12Å |
| 94 | A | 92.8 | Very high | 91.4 | Very high | 44 Ų | 44 | 61.7 Ų | 61.7 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | trans | -65.4 | 124.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L118 S119 D189 | A94-L118 HydrophobicContact CB-CD2 4.5Å; A94-S119 WeakPolarHBondContact CA-O 3.24Å; A94-D189 WeakPolarHBondContact CB-OD2 3.35Å | ||
| 95 | K | 92.1 | Very high | 91.8 | Very high | 92 Ų | 92 | 56.7 Ų | 56.7 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.6 | 176.2 | -67.1 | -176.3 | -177.6 | -179.2 | 0 | 110.1 | D91 R93 S119 | D91-K95 WeakPolarHBondContact OD2-CE 3.32Å; D91-K95 IonicContact OD2-NZ 3.28Å; D91-K95 PolarHBondContact OD2-NZ 2.95Å; R93-K95 PolarHBondContact O-N 3.12Å; K95-S119 PolarHBondContact N-O 2.85Å; K95-S119 PolarHBondContact O-N 3.35Å; K95-S119 VanDerWaalsContact O-N 3.15Å |
| 96 | P | 93.9 | Very high | 92.1 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 60% | 0.597 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 133.7 | 174.6 | 28.8 | -30.9 | 0 | 0 | 0 | 110.1 | V117 L118 | P96-V117 WeakPolarHBondContact CA-O 3.38Å; P96-L118 HydrophobicContact CB-CD2 3.66Å; P96-L118 HydrophobicContact CG-CD2 4.3Å |
| 97 | R | 92.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 59.5 Ų | 59.5 | 25% | 0.253 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 132.5 | 170.7 | -165.3 | 174.2 | -178.3 | 113 | 2.8 | 109.6 | I99 R116 V117 D138 E139 | R97-I99 HydrophobicContact CG-CD1 4.39Å; R97-I99 HydrophobicContact CG-CG1 4.16Å; R97-R116 CarbonylContact O-C 3.59Å; R97-R116 WeakPolarHBondContact O-CA 3.34Å; R97-V117 HydrophobicContact CB-CG2 4.07Å; R97-V117 PolarHBondContact N-O 3.14Å; R97-V117 PolarHBondContact O-N 2.87Å; R97-D138 IonicContact NH1-OD2 3.42Å; R97-D138 PolarHBondContact NH1-OD2 3.4Å; R97-E139 VanDerWaalsContact NH1-CG 3.26Å |
| 98 | K | 93.9 | Very high | 92.4 | Very high | 149 Ų | 149 | 65.2 Ų | 65.2 | 65% | 0.648 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127.5 | 172.6 | -67.3 | -177.9 | -179.3 | -177.4 | 0 | 108.4 | V115 R116 | K98-V115 CarbonylContact C-O 3.57Å; K98-V115 WeakPolarHBondContact CA-O 3.45Å; K98-R116 HydrophobicContact CG-CB 4.28Å; K98-R116 HydrophobicContact CG-CG 4.33Å |
| 99 | I | 93.8 | Very high | 92.5 | Very high | 16 Ų | 16 | 67 Ų | 67 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.9 | 179.4 | -61.8 | 163.2 | 0 | 0 | 0 | 106.8 | R97 V115 V117 L142 P143 V146 | R97-I99 HydrophobicContact CG-CD1 4.39Å; R97-I99 HydrophobicContact CG-CG1 4.16Å; I99-V115 PolarHBondContact N-O 3.37Å; I99-V115 PolarHBondContact O-N 3.05Å; I99-V117 HydrophobicContact CD1-CG2 4.35Å; I99-L142 HydrophobicContact CD1-CB 3.94Å; I99-P143 HydrophobicContact CD1-CG 4.45Å; I99-V146 HydrophobicContact CB-CG1 4.2Å; I99-V146 HydrophobicContact CD1-CB 4.15Å; I99-V146 HydrophobicContact CD1-CG1 4.46Å; I99-V146 HydrophobicContact CD1-CG2 3.92Å; I99-V146 HydrophobicContact CG2-CB 4.36Å; I99-V146 HydrophobicContact CG2-CG1 3.98Å |
| 100 | S | 93.8 | Very high | 92.6 | Very high | 86 Ų | 86 | 69.1 Ų | 69.1 | 60% | 0.601 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 144.7 | 173.3 | 53.2 | 0 | 0 | 0 | 0 | 110.5 | I113 | S100-I113 WeakPolarHBondContact CA-O 3.27Å |
| 101 | S | 92.8 | Very high | 92.6 | Very high | 10 Ų | 10 | 68.8 Ų | 68.8 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 135 | 179.1 | -157.9 | 0 | 0 | 0 | 0 | 110.9 | I113 N147 | S101-I113 PolarHBondContact N-O 3.05Å; S101-I113 PolarHBondContact O-N 3.11Å; S101-N147 WeakPolarHBondContact CB-OD1 3.47Å; S101-N147 PolarHBondContact OG-OD1 3.25Å |
| 102 | L | 93.7 | Very high | 92.8 | Very high | 106 Ų | 106 | 70 Ų | 70 | 56% | 0.555 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 117 | 169.6 | -174.9 | 68.9 | 0 | 0 | 0 | 108.9 | M110 N112 | L102-M110 HydrophobicContact CD1-CB 4.2Å; L102-M110 HydrophobicContact CD1-CE 4.32Å; L102-M110 HydrophobicContact CD2-CE 3.67Å; L102-M110 HydrophobicContact CG-CE 3.64Å; L102-N112 HydrophobicContact CD1-CB 4.25Å |
| 103 | T | 92.6 | Very high | 93 | Very high | 4 Ų | 4 | 68.4 Ų | 68.4 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.1 | -172.3 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | V111 K151 V154 | T103-V111 PolarHBondContact N-O 3.01Å; T103-V111 PolarHBondContact O-N 3.48Å; T103-K151 HydrophobicContact CG2-CB 4.31Å; T103-K151 HydrophobicContact CG2-CG 3.96Å; T103-V154 HydrophobicContact CG2-CB 3.63Å; T103-V154 HydrophobicContact CG2-CG1 3.71Å; T103-V154 HydrophobicContact CG2-CG2 4.22Å |
| 104 | G | 93 | Very high | 93.1 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 133.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q109 | G104-Q109 CarbonylContact C-O 3.6Å; G104-Q109 WeakPolarHBondContact CA-O 3.49Å |
| 105 | S | 94 | Very high | 93.2 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | trans | -78.5 | 174.7 | 169.3 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | D107 L108 Q109 | S105-D107 VanDerWaalsContact CB-OD1 3.26Å; S105-D107 WeakPolarHBondContact CB-OD1 3.4Å; S105-D107 PolarHBondContact O-N 2.99Å; S105-D107 PolarHBondContact OG-OD1 2.93Å; S105-L108 PolarHBondContact O-N 3.46Å; S105-Q109 PolarHBondContact N-O 2.94Å; S105-Q109 WeakPolarHBondContact OG-CB 3.42Å; S105-Q109 PolarHBondContact OG-N 2.88Å; S105-Q109 VanDerWaalsContact OG-N 3.1Å; S105-Q109 PolarHBondContact OG-O 3.47Å | ||
| 106 | K | 93.9 | Very high | 93.3 | Very high | 134 Ų | 134 | 58.2 Ų | 58.2 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -32.2 | 176.5 | -175.7 | 172.2 | 177.1 | 178.1 | 0 | 113.7 | L108 A155 F157 N158 | K106-L108 VanDerWaalsContact C-N 3.26Å; K106-L108 PolarHBondContact O-N 3.49Å; K106-A155 WeakPolarHBondContact CA-O 3.31Å; K106-A155 VanDerWaalsContact CB-O 3.31Å; K106-A155 WeakPolarHBondContact CB-O 3.34Å; K106-F157 WeakPolarHBondContact CB-O 3.4Å; K106-F157 PolarHBondContact N-O 2.94Å; K106-N158 WeakPolarHBondContact CB-OD1 3.4Å |
| 107 | D | 92.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 19.1 | 176.8 | 58.5 | -33.9 | 0 | 0 | 0 | 113.3 | S105 Q109 A159 | S105-D107 VanDerWaalsContact CB-OD1 3.26Å; S105-D107 WeakPolarHBondContact CB-OD1 3.4Å; S105-D107 PolarHBondContact O-N 2.99Å; S105-D107 PolarHBondContact OG-OD1 2.93Å; D107-Q109 PolarHBondContact O-N 3.24Å; D107-A159 PolarHBondContact OD1-N 3.13Å |
| 108 | L | 90.5 | Very high | 93.5 | Very high | 156 Ų | 156 | 52.7 Ų | 52.7 | 82% | 0.817 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 59.7 | 25.7 | 178 | -54.2 | 175.8 | 0 | 0 | 0 | 113.7 | S105 K106 | S105-L108 PolarHBondContact O-N 3.46Å; K106-L108 VanDerWaalsContact C-N 3.26Å; K106-L108 PolarHBondContact O-N 3.49Å |
| 109 | Q | 91.9 | Very high | 93.5 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | trans | -89.2 | 136 | 173.3 | -63.7 | -60.6 | -30 | 0 | 0 | 110.3 | G104 S105 D107 V111 A159 Y202 | G104-Q109 CarbonylContact C-O 3.6Å; G104-Q109 WeakPolarHBondContact CA-O 3.49Å; S105-Q109 PolarHBondContact N-O 2.94Å; S105-Q109 WeakPolarHBondContact OG-CB 3.42Å; S105-Q109 PolarHBondContact OG-N 2.88Å; S105-Q109 VanDerWaalsContact OG-N 3.1Å; S105-Q109 PolarHBondContact OG-O 3.47Å; D107-Q109 PolarHBondContact O-N 3.24Å; Q109-V111 PolarHBondContact O-N 3.37Å; Q109-A159 HydrophobicContact CB-CB 4.14Å; Q109-A159 HydrophobicContact CG-CB 4.36Å; Q109-Y202 HydrophobicContact CG-CD2 3.98Å; Q109-Y202 HydrophobicContact CG-CE2 3.82Å | ||
| 110 | M | 92.3 | Very high | 93.5 | Very high | 104 Ų | 104 | 48.7 Ų | 48.7 | 51% | 0.512 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 121.8 | 176.8 | -62.4 | -58.5 | -77.6 | 0 | 0 | 109.5 | L102 | L102-M110 HydrophobicContact CD1-CB 4.2Å; L102-M110 HydrophobicContact CD1-CE 4.32Å; L102-M110 HydrophobicContact CD2-CE 3.67Å; L102-M110 HydrophobicContact CG-CE 3.64Å |
| 111 | V | 92.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.9 | -178.8 | -166.8 | 0 | 0 | 0 | 0 | 108.6 | T103 Q109 I113 L162 L196 S197 F198 | T103-V111 PolarHBondContact N-O 3.01Å; T103-V111 PolarHBondContact O-N 3.48Å; Q109-V111 PolarHBondContact O-N 3.37Å; V111-I113 HydrophobicContact CB-CD1 4.49Å; V111-I113 HydrophobicContact CB-CG1 4.27Å; V111-I113 HydrophobicContact CG1-CD1 4.14Å; V111-I113 HydrophobicContact CG1-CG1 3.69Å; V111-L162 HydrophobicContact CG1-CD1 4.41Å; V111-L162 HydrophobicContact CG2-CD1 4.05Å; V111-L196 HydrophobicContact CG1-CD2 4.09Å; V111-L196 HydrophobicContact CG1-CG 3.97Å; V111-S197 WeakPolarHBondContact CG1-O 3.43Å; V111-F198 HydrophobicContact CB-CD1 4.35Å; V111-F198 HydrophobicContact CB-CE1 4.28Å; V111-F198 HydrophobicContact CG1-CD1 4.01Å; V111-F198 HydrophobicContact CG1-CE1 3.78Å; V111-F198 HydrophobicContact CG1-CZ 4.28Å; V111-F198 HydrophobicContact CG2-CD1 3.68Å; V111-F198 HydrophobicContact CG2-CE1 3.51Å |
| 112 | N | 94 | Very high | 93.4 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.5 | 170.2 | -178.3 | 9.9 | 0 | 0 | 0 | 108.5 | L102 L196 S197 | L102-N112 HydrophobicContact CD1-CB 4.25Å; N112-L196 WeakPolarHBondContact O-CA 3.41Å; N112-S197 WeakPolarHBondContact CB-OG 3.27Å; N112-S197 PolarHBondContact N-O 2.87Å; N112-S197 PolarHBondContact O-N 2.94Å |
| 113 | I | 94.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.4 | -176.3 | -56.1 | 178.8 | 0 | 0 | 0 | 108.5 | S100 S101 V111 V115 L150 V154 I193 E195 L196 | S100-I113 WeakPolarHBondContact CA-O 3.27Å; S101-I113 PolarHBondContact N-O 3.05Å; S101-I113 PolarHBondContact O-N 3.11Å; V111-I113 HydrophobicContact CB-CD1 4.49Å; V111-I113 HydrophobicContact CB-CG1 4.27Å; V111-I113 HydrophobicContact CG1-CD1 4.14Å; V111-I113 HydrophobicContact CG1-CG1 3.69Å; I113-V115 HydrophobicContact CG2-CG2 4.08Å; I113-L150 HydrophobicContact CG2-CD2 4.34Å; I113-V154 HydrophobicContact CD1-CB 4.37Å; I113-V154 HydrophobicContact CD1-CG1 4.11Å; I113-V154 HydrophobicContact CD1-CG2 3.31Å; I113-I193 HydrophobicContact CG2-CG2 3.94Å; I113-E195 WeakPolarHBondContact CA-O 3.34Å; I113-L196 HydrophobicContact CD1-CD1 4.36Å; I113-L196 HydrophobicContact CG1-CD1 4.26Å; I113-L196 HydrophobicContact CG1-CG 4.33Å |
| 114 | G | 94.6 | Very high | 92.9 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I193 T194 E195 | G114-I193 CarbonylContact O-C 3.57Å; G114-I193 WeakPolarHBondContact O-CA 3.07Å; G114-T194 VanDerWaalsContact C-OG1 3.31Å; G114-T194 PolarHBondContact O-N 3.29Å; G114-T194 PolarHBondContact O-OG1 3.38Å; G114-T194 VanDerWaalsContact O-OG1 3.14Å; G114-E195 PolarHBondContact N-O 3.29Å; G114-E195 PolarHBondContact O-N 3.23Å |
| 115 | V | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133 | 174.5 | -178 | 0 | 0 | 0 | 0 | 109.6 | K98 I99 I113 V117 L150 V191 A192 I193 | K98-V115 CarbonylContact C-O 3.57Å; K98-V115 WeakPolarHBondContact CA-O 3.45Å; I99-V115 PolarHBondContact N-O 3.37Å; I99-V115 PolarHBondContact O-N 3.05Å; I113-V115 HydrophobicContact CG2-CG2 4.08Å; V115-V117 HydrophobicContact CG1-CG1 3.94Å; V115-L150 HydrophobicContact CG2-CD1 3.76Å; V115-L150 HydrophobicContact CG2-CD2 3.83Å; V115-L150 HydrophobicContact CG2-CG 4.32Å; V115-V191 HydrophobicContact CG1-CG1 3.77Å; V115-A192 WeakPolarHBondContact CA-O 3.18Å; V115-I193 HydrophobicContact CG2-CG1 4.37Å |
| 116 | R | 95.2 | Very high | 92.5 | Very high | 65 Ų | 65 | 46 Ų | 46 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.6 | 166.2 | -176.9 | -178.5 | 62.5 | 72.8 | 7 | 108.8 | R97 K98 D190 A192 T194 | R97-R116 CarbonylContact O-C 3.59Å; R97-R116 WeakPolarHBondContact O-CA 3.34Å; K98-R116 HydrophobicContact CG-CB 4.28Å; K98-R116 HydrophobicContact CG-CG 4.33Å; R116-D190 IonicContact CZ-OD2 3.77Å; R116-D190 IonicContact NH1-OD2 2.68Å; R116-D190 PolarHBondContact NH1-OD2 3.37Å; R116-D190 IonicContact NH2-OD2 4Å; R116-D190 PolarHBondContact NH2-OD2 3.02Å; R116-A192 PolarHBondContact N-O 3.4Å; R116-A192 PolarHBondContact O-N 3.04Å; R116-T194 HydrophobicContact CB-CG2 3.65Å |
| 117 | V | 94.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.4 | 172.3 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | P96 R97 I99 V115 L142 V146 V191 | P96-V117 WeakPolarHBondContact CA-O 3.38Å; R97-V117 HydrophobicContact CB-CG2 4.07Å; R97-V117 PolarHBondContact N-O 3.14Å; R97-V117 PolarHBondContact O-N 2.87Å; I99-V117 HydrophobicContact CD1-CG2 4.35Å; V115-V117 HydrophobicContact CG1-CG1 3.94Å; V117-L142 HydrophobicContact CG2-CD1 4.5Å; V117-V146 HydrophobicContact CG1-CG2 4.19Å; V117-V191 HydrophobicContact CG1-CG1 4.27Å; V117-V191 HydrophobicContact CG1-CG2 4.18Å |
| 118 | L | 94.6 | Very high | 92.1 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 22% | 0.22 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 111.2 | 164.6 | -79.8 | 171.5 | 0 | 0 | 0 | 107.3 | A94 P96 L188 D189 D190 | A94-L118 HydrophobicContact CB-CD2 4.5Å; P96-L118 HydrophobicContact CB-CD2 3.66Å; P96-L118 HydrophobicContact CG-CD2 4.3Å; L118-L188 CarbonylContact O-C 3.6Å; L118-L188 WeakPolarHBondContact O-CA 3.21Å; L118-D189 HydrophobicContact CB-CB 4.49Å; L118-D189 PolarHBondContact O-N 3.2Å; L118-D190 HydrophobicContact CB-CB 4.11Å; L118-D190 HydrophobicContact CD1-CB 3.89Å; L118-D190 HydrophobicContact CG-CB 4.39Å; L118-D190 PolarHBondContact N-O 3.44Å |
| 119 | S | 93.8 | Very high | 92.1 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.4 | -176.4 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | A94 K95 L142 I187 | A94-S119 WeakPolarHBondContact CA-O 3.24Å; K95-S119 PolarHBondContact N-O 2.85Å; K95-S119 PolarHBondContact O-N 3.35Å; K95-S119 VanDerWaalsContact O-N 3.15Å; S119-L142 WeakPolarHBondContact OG-CD1 3.34Å; S119-I187 WeakPolarHBondContact CA-O 3.47Å |
| 120 | R | 93.1 | Very high | 92 | Very high | 80 Ų | 80 | 32.9 Ų | 32.9 | 30% | 0.302 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.4 | 168.3 | 64.1 | -176.4 | 176.6 | 90.6 | -0.9 | 110.1 | I187 D189 | R120-I187 HydrophobicContact CG-CB 4Å; R120-I187 HydrophobicContact CG-CG2 4.44Å; R120-I187 PolarHBondContact N-O 3.1Å; R120-I187 PolarHBondContact O-N 3.1Å; R120-D189 VanDerWaalsContact CD-OD2 3.27Å; R120-D189 WeakPolarHBondContact CD-OD2 3.48Å; R120-D189 IonicContact CZ-OD1 2.68Å; R120-D189 IonicContact NE-OD1 3.64Å; R120-D189 PolarHBondContact NE-OD1 3.39Å; R120-D189 IonicContact NE-OD2 3.76Å; R120-D189 PolarHBondContact NE-OD2 2.85Å; R120-D189 IonicContact NH2-OD1 3.63Å |
| 121 | P | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 151 | 177.6 | 32.9 | -27.8 | 0 | 0 | 0 | 110.4 | D91 I92 A123 L126 M129 Y137 | D91-P121 WeakPolarHBondContact O-CG 3.4Å; I92-P121 HydrophobicContact CG2-CG 4.3Å; P121-A123 PolarHBondContact O-N 3.44Å; P121-L126 HydrophobicContact CB-CD2 3.79Å; P121-L126 HydrophobicContact CG-CD2 4.03Å; P121-M129 HydrophobicContact CB-CE 3.49Å; P121-M129 VanDerWaalsContact CB-CE 3.49Å; P121-M129 HydrophobicContact CB-SD 3.51Å; P121-M129 VanDerWaalsContact CB-SD 3.51Å; P121-M129 HydrophobicContact CG-CE 4.43Å; P121-Y137 HydrophobicContact CB-CE1 4.25Å; P121-Y137 HydrophobicContact CB-CE2 4.41Å; P121-Y137 VanDerWaalsContact CD-OH 3.25Å; P121-Y137 WeakPolarHBondContact CD-OH 3.39Å; P121-Y137 HydrophobicContact CG-CE1 4.29Å |
| 122 | M | 91.3 | Very high | 91.5 | Very high | 47 Ų | 47 | 39.6 Ų | 39.6 | 23% | 0.232 | 20% | 0.203 | C | C | . | . | trans | -75.3 | 117 | 175.9 | -171.2 | 178.9 | -52 | 0 | 0 | 110.5 | S124 S125 L126 N185 I187 | M122-S124 VanDerWaalsContact C-N 3.27Å; M122-S124 WeakPolarHBondContact CG-OG 3.27Å; M122-S124 PolarHBondContact O-N 3.18Å; M122-S124 PolarHBondContact SD-OG 2.91Å; M122-S125 PolarHBondContact O-N 3.41Å; M122-S125 VanDerWaalsContact O-N 3.16Å; M122-L126 PolarHBondContact O-N 3.42Å; M122-N185 HydrophobicContact CB-CB 4.36Å; M122-N185 WeakPolarHBondContact CB-O 3.16Å; M122-N185 PolarHBondContact N-O 3.23Å; M122-I187 HydrophobicContact CB-CD1 4.05Å; M122-I187 HydrophobicContact CB-CG1 4.29Å; M122-I187 HydrophobicContact CE-CD1 4.42Å; M122-I187 HydrophobicContact CE-CG1 4.19Å; M122-I187 HydrophobicContact CG-CD1 4.07Å | ||
| 123 | A | 88.8 | Confident | 91.2 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 25% | 0.248 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -59.5 | -33.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I72 I92 P121 S125 | I72-A123 WeakPolarHBondContact CD1-O 3.45Å; I92-A123 HydrophobicContact CG2-CB 4.49Å; P121-A123 PolarHBondContact O-N 3.44Å; A123-S125 VanDerWaalsContact C-N 3.34Å |
| 124 | S | 88.8 | Confident | 90.9 | Very high | 83 Ų | 83 | 37.5 Ų | 37.5 | 58% | 0.58 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -72.9 | -21.8 | -179.4 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | I72 M122 | I72-S124 VanDerWaalsContact CD1-O 3.27Å; I72-S124 WeakPolarHBondContact CD1-O 3.47Å; M122-S124 VanDerWaalsContact C-N 3.27Å; M122-S124 WeakPolarHBondContact CG-OG 3.27Å; M122-S124 PolarHBondContact O-N 3.18Å; M122-S124 PolarHBondContact SD-OG 2.91Å |
| 125 | S | 88.9 | Confident | 90.5 | Very high | 25 Ų | 25 | 43.1 Ų | 43.1 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -119.1 | 17.6 | -172.8 | -52.7 | 0 | 0 | 0 | 0 | 112.5 | M122 A123 P127 V128 M129 N185 | M122-S125 PolarHBondContact O-N 3.41Å; M122-S125 VanDerWaalsContact O-N 3.16Å; A123-S125 VanDerWaalsContact C-N 3.34Å; S125-P127 VanDerWaalsContact C-CD 3.45Å; S125-P127 VanDerWaalsContact C-N 3.3Å; S125-V128 PolarHBondContact O-N 3.35Å; S125-M129 WeakPolarHBondContact O-CB 3.41Å; S125-M129 PolarHBondContact O-N 3.19Å; S125-N185 VanDerWaalsContact CB-OD1 3.27Å; S125-N185 WeakPolarHBondContact CB-OD1 3.48Å; S125-N185 PolarHBondContact OG-OD1 2.87Å |
| 126 | L | 89 | Confident | 90.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.6 | -38.1 | 179.7 | -69.9 | 173.9 | 0 | 0 | 0 | 113.5 | R57 I59 I72 Y90 I92 P121 M122 M129 Y130 | R57-L126 HydrophobicContact CB-CD1 3.41Å; R57-L126 VanDerWaalsContact CB-CD1 3.41Å; R57-L126 HydrophobicContact CG-CD1 4.05Å; I59-L126 HydrophobicContact CG2-CB 3.76Å; I72-L126 HydrophobicContact CG2-CD1 4.48Å; Y90-L126 HydrophobicContact CD1-CD2 4.38Å; Y90-L126 HydrophobicContact CG-CD2 4.27Å; I92-L126 HydrophobicContact CG2-CD1 4.24Å; P121-L126 HydrophobicContact CB-CD2 3.79Å; P121-L126 HydrophobicContact CG-CD2 4.03Å; M122-L126 PolarHBondContact O-N 3.42Å; L126-M129 HydrophobicContact CD2-CE 3.78Å; L126-M129 PolarHBondContact O-N 3.21Å; L126-Y130 PolarHBondContact O-N 3.48Å |
| 127 | P | 89.3 | Confident | 89.8 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -48 | 179 | -27 | 39.1 | 0 | 0 | 0 | 113.3 | I59 M67 M69 I72 S125 M129 Y130 Q131 | I59-P127 HydrophobicContact CG2-CG 4.05Å; M67-P127 HydrophobicContact CE-CB 3.82Å; M67-P127 HydrophobicContact SD-CB 4.04Å; M69-P127 HydrophobicContact CE-CB 3.82Å; M69-P127 WeakPolarHBondContact O-CG 3.36Å; M69-P127 HydrophobicContact SD-CB 3.74Å; I72-P127 HydrophobicContact CG1-CG 4.06Å; S125-P127 VanDerWaalsContact C-CD 3.45Å; S125-P127 VanDerWaalsContact C-N 3.3Å; P127-M129 VanDerWaalsContact C-N 3.32Å; P127-M129 PolarHBondContact O-N 3.2Å; P127-Y130 PolarHBondContact O-N 3.48Å; P127-Q131 PolarHBondContact O-N 2.88Å; P127-Q131 VanDerWaalsContact O-N 3.13Å |
| 128 | V | 89.4 | Confident | 89.4 | Confident | 58 Ų | 58 | 46.3 Ų | 46.3 | 35% | 0.352 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.2 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | M69 S125 Y130 Q131 Q132 | M69-V128 HydrophobicContact SD-CG2 4.39Å; S125-V128 PolarHBondContact O-N 3.35Å; V128-Y130 PolarHBondContact O-N 3.08Å; V128-Q131 PolarHBondContact O-N 3Å; V128-Q132 WeakPolarHBondContact O-CG 3.37Å; V128-Q132 PolarHBondContact O-N 2.91Å; V128-Q132 VanDerWaalsContact O-N 3.12Å |
| 129 | M | 89.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 179 | -164.7 | -170.7 | 70.9 | 0 | 0 | 111.5 | Y90 P121 S125 L126 P127 Q131 Q132 L133 Y137 | Y90-M129 HydrophobicContact CD1-CE 4.01Å; Y90-M129 HydrophobicContact CE1-CE 3.48Å; Y90-M129 VanDerWaalsContact CE1-CE 3.48Å; P121-M129 HydrophobicContact CB-CE 3.49Å; P121-M129 VanDerWaalsContact CB-CE 3.49Å; P121-M129 HydrophobicContact CB-SD 3.51Å; P121-M129 VanDerWaalsContact CB-SD 3.51Å; P121-M129 HydrophobicContact CG-CE 4.43Å; S125-M129 WeakPolarHBondContact O-CB 3.41Å; S125-M129 PolarHBondContact O-N 3.19Å; L126-M129 HydrophobicContact CD2-CE 3.78Å; L126-M129 PolarHBondContact O-N 3.21Å; P127-M129 VanDerWaalsContact C-N 3.32Å; P127-M129 PolarHBondContact O-N 3.2Å; M129-Q131 PolarHBondContact O-N 2.94Å; M129-Q132 PolarHBondContact O-N 3.35Å; M129-L133 HydrophobicContact CB-CD1 4.47Å; M129-L133 HydrophobicContact CG-CD1 3.49Å; M129-L133 VanDerWaalsContact CG-CD1 3.49Å; M129-L133 WeakPolarHBondContact O-CA 3.37Å; M129-L133 VanDerWaalsContact O-CB 3.25Å; M129-L133 WeakPolarHBondContact O-CB 3.33Å; M129-L133 PolarHBondContact O-N 2.89Å; M129-Y137 HydrophobicContact CE-CD1 3.77Å; M129-Y137 HydrophobicContact CE-CE1 4.11Å; M129-Y137 HydrophobicContact CE-CG 4.15Å; M129-Y137 HydrophobicContact SD-CD1 4.39Å; M129-Y137 HydrophobicContact SD-CD2 4.42Å; M129-Y137 HydrophobicContact SD-CG 4.2Å |
| 130 | Y | 89.4 | Confident | 88.7 | Confident | 74 Ų | 74 | 57.2 Ų | 57.2 | 29% | 0.29 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 178.5 | 177.1 | -103.6 | 0 | 0 | 0 | 112.9 | I59 M67 I88 Y90 L126 P127 V128 G134 | I59-Y130 HydrophobicContact CD1-CD1 4.38Å; I59-Y130 HydrophobicContact CD1-CD2 4.46Å; I59-Y130 HydrophobicContact CD1-CG 3.93Å; M67-Y130 HydrophobicContact CE-CD1 3.51Å; M67-Y130 HydrophobicContact CE-CE1 4.45Å; M67-Y130 HydrophobicContact CE-CG 3.98Å; M67-Y130 HydrophobicContact SD-CD1 3.72Å; I88-Y130 HydrophobicContact CD1-CD1 4.12Å; I88-Y130 HydrophobicContact CD1-CE1 3.43Å; I88-Y130 VanDerWaalsContact CD1-CE1 3.43Å; I88-Y130 HydrophobicContact CD1-CE2 3.92Å; I88-Y130 WeakPolarHBondContact CD1-OH 3.36Å; I88-Y130 HydrophobicContact CG2-CD2 4.3Å; I88-Y130 HydrophobicContact CG2-CE2 4.02Å; Y90-Y130 AromaticContact CE2-CD2 3.88Å; Y90-Y130 HydrophobicContact CE2-CD2 3.88Å; Y90-Y130 HydrophobicContact CE2-CG 4.33Å; Y90-Y130 AromaticContact CZ-CD2 3.98Å; Y90-Y130 WeakPolarHBondContact OH-CB 3.4Å; Y90-Y130 VanDerWaalsContact OH-CD2 3.23Å; Y90-Y130 WeakPolarHBondContact OH-CD2 3.43Å; L126-Y130 PolarHBondContact O-N 3.48Å; P127-Y130 PolarHBondContact O-N 3.48Å; V128-Y130 PolarHBondContact O-N 3.08Å; Y130-G134 WeakPolarHBondContact O-CA 3.49Å; Y130-G134 PolarHBondContact O-N 2.84Å |
| 131 | Q | 87.6 | Confident | 88.6 | Confident | 122 Ų | 122 | 54.2 Ų | 54.2 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64.3 | -41.6 | 176.7 | -70.7 | -169.6 | -18.7 | 0 | 0 | 112.5 | M67 M69 P127 V128 M129 | M67-Q131 HydrophobicContact SD-CG 3.55Å; M67-Q131 VanDerWaalsContact SD-CG 3.55Å; M69-Q131 HydrophobicContact CE-CG 4.17Å; P127-Q131 PolarHBondContact O-N 2.88Å; P127-Q131 VanDerWaalsContact O-N 3.13Å; V128-Q131 PolarHBondContact O-N 3Å; M129-Q131 PolarHBondContact O-N 2.94Å |
| 132 | Q | 87.9 | Confident | 88.5 | Confident | 124 Ų | 124 | 54.4 Ų | 54.4 | 58% | 0.579 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -81.7 | -41.4 | -176.1 | -67.5 | 178 | -12.9 | 0 | 0 | 112.6 | V128 M129 | V128-Q132 WeakPolarHBondContact O-CG 3.37Å; V128-Q132 PolarHBondContact O-N 2.91Å; V128-Q132 VanDerWaalsContact O-N 3.12Å; M129-Q132 PolarHBondContact O-N 3.35Å |
| 133 | L | 86.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -114 | -21.8 | -165.4 | -61.6 | 150.8 | 0 | 0 | 0 | 112.7 | M129 R140 V141 F184 | M129-L133 HydrophobicContact CB-CD1 4.47Å; M129-L133 HydrophobicContact CG-CD1 3.49Å; M129-L133 VanDerWaalsContact CG-CD1 3.49Å; M129-L133 WeakPolarHBondContact O-CA 3.37Å; M129-L133 VanDerWaalsContact O-CB 3.25Å; M129-L133 WeakPolarHBondContact O-CB 3.33Å; M129-L133 PolarHBondContact O-N 2.89Å; L133-R140 PolarHBondContact O-NH1 3.04Å; L133-V141 HydrophobicContact CD2-CB 4.01Å; L133-V141 HydrophobicContact CD2-CG1 4.45Å; L133-V141 HydrophobicContact CD2-CG2 3.1Å; L133-F184 HydrophobicContact CD1-CB 4.26Å; L133-F184 HydrophobicContact CD2-CD1 4.1Å |
| 134 | G | 87 | Confident | 88.8 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 19% | 0.186 | 29% | 0.287 | C | S | . | . | trans | 71.2 | -170.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y90 Y130 D136 | Y90-G134 PolarHBondContact OH-O 3.49Å; Y130-G134 WeakPolarHBondContact O-CA 3.49Å; Y130-G134 PolarHBondContact O-N 2.84Å; G134-D136 VanDerWaalsContact C-N 3.32Å; G134-D136 PolarHBondContact O-N 2.89Å | ||
| 135 | K | 86.3 | Confident | 89 | Confident | 125 Ų | 125 | 52.3 Ų | 52.3 | 54% | 0.543 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -67.1 | -32.3 | -178.2 | -165.9 | 178.5 | 179 | -176.5 | 0 | 112.9 | Y90 Y137 | Y90-K135 WeakPolarHBondContact OH-CA 3.38Å; K135-Y137 VanDerWaalsContact C-N 3.27Å; K135-Y137 WeakPolarHBondContact O-CD1 3.47Å; K135-Y137 PolarHBondContact O-N 3.26Å |
| 136 | D | 88.5 | Confident | 89.3 | Confident | 80 Ų | 80 | 51.3 Ų | 51.3 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | trans | -93.7 | 46.1 | -175.2 | -44.7 | -47.4 | 0 | 0 | 0 | 111.6 | G134 D138 E139 R140 | G134-D136 VanDerWaalsContact C-N 3.32Å; G134-D136 PolarHBondContact O-N 2.89Å; D136-D138 PolarHBondContact O-N 3.38Å; D136-E139 PolarHBondContact O-N 3.32Å; D136-R140 WeakPolarHBondContact O-CB 3.38Å; D136-R140 PolarHBondContact O-N 2.98Å | ||
| 137 | Y | 86.8 | Confident | 89.6 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.8 | -32.9 | -177.9 | 69.4 | -88.2 | 0 | 0 | 0 | 112 | Y90 P121 M129 K135 V141 I186 | Y90-Y137 HydrophobicContact CD1-CE1 4.38Å; Y90-Y137 HydrophobicContact CE1-CD1 4.01Å; Y90-Y137 HydrophobicContact CE1-CE1 4.13Å; P121-Y137 HydrophobicContact CB-CE1 4.25Å; P121-Y137 HydrophobicContact CB-CE2 4.41Å; P121-Y137 VanDerWaalsContact CD-OH 3.25Å; P121-Y137 WeakPolarHBondContact CD-OH 3.39Å; P121-Y137 HydrophobicContact CG-CE1 4.29Å; M129-Y137 HydrophobicContact CE-CD1 3.77Å; M129-Y137 HydrophobicContact CE-CE1 4.11Å; M129-Y137 HydrophobicContact CE-CG 4.15Å; M129-Y137 HydrophobicContact SD-CD1 4.39Å; M129-Y137 HydrophobicContact SD-CD2 4.42Å; M129-Y137 HydrophobicContact SD-CG 4.2Å; K135-Y137 VanDerWaalsContact C-N 3.27Å; K135-Y137 WeakPolarHBondContact O-CD1 3.47Å; K135-Y137 PolarHBondContact O-N 3.26Å; Y137-V141 PolarHBondContact O-N 2.99Å; Y137-V141 VanDerWaalsContact O-N 3.11Å; Y137-I186 HydrophobicContact CD2-CD1 3.76Å; Y137-I186 HydrophobicContact CD2-CG1 3.95Å; Y137-I186 HydrophobicContact CE2-CD1 4.43Å; Y137-I186 HydrophobicContact CE2-CG1 4.32Å |
| 138 | D | 86.6 | Confident | 89.8 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 21% | 0.214 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.3 | -37.2 | -177 | 71.9 | -50.1 | 0 | 0 | 0 | 112.2 | R97 D136 L142 P143 | R97-D138 IonicContact NH1-OD2 3.42Å; R97-D138 PolarHBondContact NH1-OD2 3.4Å; D136-D138 PolarHBondContact O-N 3.38Å; D138-L142 HydrophobicContact CB-CD1 3.72Å; D138-L142 HydrophobicContact CB-CG 4.49Å; D138-L142 VanDerWaalsContact O-CB 3.3Å; D138-L142 WeakPolarHBondContact O-CB 3.44Å; D138-P143 WeakPolarHBondContact O-CD 3.36Å |
| 139 | E | 88.1 | Confident | 90.1 | Very high | 121 Ų | 121 | 54.8 Ų | 54.8 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -73.6 | -38.5 | 176 | -70.7 | -172 | 171.9 | 0 | 0 | 112.7 | R97 D136 P143 | R97-E139 VanDerWaalsContact NH1-CG 3.26Å; D136-E139 PolarHBondContact O-N 3.32Å; E139-P143 WeakPolarHBondContact O-CD 3.4Å; E139-P143 WeakPolarHBondContact O-CG 3.38Å |
| 140 | R | 86.2 | Confident | 90.3 | Very high | 153 Ų | 153 | 54.9 Ų | 54.9 | 58% | 0.577 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -79 | -41.1 | -173.2 | -169.5 | 168.2 | -67.2 | 144.7 | 2.5 | 112.9 | L133 D136 | L133-R140 PolarHBondContact O-NH1 3.04Å; D136-R140 WeakPolarHBondContact O-CB 3.38Å; D136-R140 PolarHBondContact O-N 2.98Å |
| 141 | V | 90.6 | Very high | 90.5 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -36.6 | -165.8 | 170.1 | 0 | 0 | 0 | 0 | 114.3 | L133 Y137 S144 I145 F184 I186 | L133-V141 HydrophobicContact CD2-CB 4.01Å; L133-V141 HydrophobicContact CD2-CG1 4.45Å; L133-V141 HydrophobicContact CD2-CG2 3.1Å; Y137-V141 PolarHBondContact O-N 2.99Å; Y137-V141 VanDerWaalsContact O-N 3.11Å; V141-S144 WeakPolarHBondContact O-CB 3.38Å; V141-S144 PolarHBondContact O-N 3.47Å; V141-S144 VanDerWaalsContact O-N 3.09Å; V141-I145 HydrophobicContact CG1-CD1 3.33Å; V141-I145 HydrophobicContact CG1-CG1 3.82Å; V141-I145 PolarHBondContact O-N 2.84Å; V141-F184 HydrophobicContact CG1-CB 4.4Å; V141-F184 HydrophobicContact CG1-CD1 4.06Å; V141-F184 HydrophobicContact CG1-CD2 4.13Å; V141-F184 HydrophobicContact CG1-CE1 4.34Å; V141-F184 HydrophobicContact CG1-CE2 4.4Å; V141-F184 HydrophobicContact CG1-CG 3.92Å; V141-F184 HydrophobicContact CG1-CZ 4.49Å; V141-I186 HydrophobicContact CG1-CD1 4.4Å |
| 142 | L | 91.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | -178.9 | -63.5 | 172.9 | 0 | 0 | 0 | 113 | I99 V117 S119 D138 S144 V146 I186 L188 | I99-L142 HydrophobicContact CD1-CB 3.94Å; V117-L142 HydrophobicContact CG2-CD1 4.5Å; S119-L142 WeakPolarHBondContact OG-CD1 3.34Å; D138-L142 HydrophobicContact CB-CD1 3.72Å; D138-L142 HydrophobicContact CB-CG 4.49Å; D138-L142 VanDerWaalsContact O-CB 3.3Å; D138-L142 WeakPolarHBondContact O-CB 3.44Å; L142-S144 VanDerWaalsContact C-N 3.27Å; L142-S144 PolarHBondContact O-N 2.98Å; L142-V146 WeakPolarHBondContact O-CB 3.21Å; L142-V146 WeakPolarHBondContact O-CG2 3.31Å; L142-V146 PolarHBondContact O-N 3.32Å; L142-I186 HydrophobicContact CD2-CD1 4.47Å; L142-I186 HydrophobicContact CD2-CG2 4.39Å; L142-L188 HydrophobicContact CD2-CD2 4.32Å |
| 143 | P | 93 | Very high | 91.2 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -36.6 | 177 | -23.5 | 35.7 | 0 | 0 | 0 | 112.6 | I99 D138 E139 N147 | I99-P143 HydrophobicContact CD1-CG 4.45Å; D138-P143 WeakPolarHBondContact O-CD 3.36Å; E139-P143 WeakPolarHBondContact O-CD 3.4Å; E139-P143 WeakPolarHBondContact O-CG 3.38Å; P143-N147 WeakPolarHBondContact O-CB 3.22Å; P143-N147 PolarHBondContact O-N 3.06Å; P143-N147 PolarHBondContact O-ND2 3.33Å |
| 144 | S | 93 | Very high | 91.5 | Very high | 74 Ų | 74 | 47.1 Ų | 47.1 | 52% | 0.517 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.4 | -54.3 | -179.3 | -168 | 0 | 0 | 0 | 0 | 111.3 | V141 L142 V146 N147 E148 | V141-S144 WeakPolarHBondContact O-CB 3.38Å; V141-S144 PolarHBondContact O-N 3.47Å; V141-S144 VanDerWaalsContact O-N 3.09Å; L142-S144 VanDerWaalsContact C-N 3.27Å; L142-S144 PolarHBondContact O-N 2.98Å; S144-V146 PolarHBondContact O-N 3.3Å; S144-N147 PolarHBondContact O-N 3.29Å; S144-E148 WeakPolarHBondContact O-CB 3.26Å; S144-E148 PolarHBondContact O-N 2.9Å |
| 145 | I | 94.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 5% | 0.046 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | -179.7 | -60.4 | 174.7 | 0 | 0 | 0 | 110.7 | V141 N147 E148 V149 L177 R180 F184 | V141-I145 HydrophobicContact CG1-CD1 3.33Å; V141-I145 HydrophobicContact CG1-CG1 3.82Å; V141-I145 PolarHBondContact O-N 2.84Å; I145-N147 PolarHBondContact O-N 3.14Å; I145-E148 PolarHBondContact O-N 3.31Å; I145-V149 HydrophobicContact CG2-CG2 4.22Å; I145-V149 WeakPolarHBondContact O-CB 3.39Å; I145-V149 WeakPolarHBondContact O-CG2 3.29Å; I145-V149 PolarHBondContact O-N 2.84Å; I145-L177 HydrophobicContact CG2-CD2 3.93Å; I145-R180 HydrophobicContact CG2-CB 3.62Å; I145-F184 HydrophobicContact CD1-CD2 3.31Å; I145-F184 HydrophobicContact CD1-CE2 3.48Å; I145-F184 VanDerWaalsContact CD1-CE2 3.48Å; I145-F184 HydrophobicContact CD1-CG 4.18Å; I145-F184 HydrophobicContact CD1-CZ 4.46Å; I145-F184 HydrophobicContact CG1-CD2 4.29Å; I145-F184 HydrophobicContact CG1-CE2 3.96Å |
| 146 | V | 95.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 179.4 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | I99 V117 L142 S144 L150 L177 | I99-V146 HydrophobicContact CB-CG1 4.2Å; I99-V146 HydrophobicContact CD1-CB 4.15Å; I99-V146 HydrophobicContact CD1-CG1 4.46Å; I99-V146 HydrophobicContact CD1-CG2 3.92Å; I99-V146 HydrophobicContact CG2-CB 4.36Å; I99-V146 HydrophobicContact CG2-CG1 3.98Å; V117-V146 HydrophobicContact CG1-CG2 4.19Å; L142-V146 WeakPolarHBondContact O-CB 3.21Å; L142-V146 WeakPolarHBondContact O-CG2 3.31Å; L142-V146 PolarHBondContact O-N 3.32Å; S144-V146 PolarHBondContact O-N 3.3Å; V146-L150 HydrophobicContact CG1-CD1 3.63Å; V146-L150 HydrophobicContact CG1-CG 4.16Å; V146-L150 VanDerWaalsContact O-CB 3.24Å; V146-L150 WeakPolarHBondContact O-CB 3.39Å; V146-L150 WeakPolarHBondContact O-CG 3.32Å; V146-L150 PolarHBondContact O-N 3.47Å; V146-L177 HydrophobicContact CB-CD2 4.45Å; V146-L177 HydrophobicContact CG2-CD1 4.42Å; V146-L177 HydrophobicContact CG2-CD2 3.93Å |
| 147 | N | 94.5 | Very high | 92.5 | Very high | 47 Ų | 47 | 45.4 Ų | 45.4 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.9 | -74 | -30.1 | 0 | 0 | 0 | 112.6 | S101 P143 S144 I145 K151 | S101-N147 WeakPolarHBondContact CB-OD1 3.47Å; S101-N147 PolarHBondContact OG-OD1 3.25Å; P143-N147 WeakPolarHBondContact O-CB 3.22Å; P143-N147 PolarHBondContact O-N 3.06Å; P143-N147 PolarHBondContact O-ND2 3.33Å; S144-N147 PolarHBondContact O-N 3.29Å; I145-N147 PolarHBondContact O-N 3.14Å; N147-K151 WeakPolarHBondContact O-CB 3.49Å; N147-K151 WeakPolarHBondContact O-CG 3.04Å; N147-K151 PolarHBondContact O-N 2.91Å |
| 148 | E | 94.1 | Very high | 92.8 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -52.5 | 177.2 | -175.6 | -172.3 | 159.9 | 0 | 0 | 111.3 | S144 I145 L150 K151 S152 R180 | S144-E148 WeakPolarHBondContact O-CB 3.26Å; S144-E148 PolarHBondContact O-N 2.9Å; I145-E148 PolarHBondContact O-N 3.31Å; E148-L150 PolarHBondContact O-N 3.42Å; E148-K151 PolarHBondContact O-N 2.94Å; E148-S152 PolarHBondContact O-N 3.48Å; E148-R180 IonicContact OE1-CZ 3.19Å; E148-R180 IonicContact OE1-NH1 2.84Å; E148-R180 PolarHBondContact OE1-NH1 3.36Å; E148-R180 IonicContact OE1-NH2 2.8Å; E148-R180 PolarHBondContact OE1-NH2 2.91Å; E148-R180 IonicContact OE2-NH1 3.63Å |
| 149 | V | 95.2 | Very high | 93 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -43.3 | -177.9 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | I145 K151 S152 V153 E176 L177 R180 | I145-V149 HydrophobicContact CG2-CG2 4.22Å; I145-V149 WeakPolarHBondContact O-CB 3.39Å; I145-V149 WeakPolarHBondContact O-CG2 3.29Å; I145-V149 PolarHBondContact O-N 2.84Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 3.34Å; V149-S152 PolarHBondContact O-N 2.92Å; V149-S152 VanDerWaalsContact O-N 3.15Å; V149-S152 PolarHBondContact O-OG 3.08Å; V149-V153 HydrophobicContact CG1-CG2 3.99Å; V149-V153 WeakPolarHBondContact O-CG2 3.18Å; V149-V153 PolarHBondContact O-N 2.77Å; V149-E176 HydrophobicContact CG1-CB 3.51Å; V149-E176 HydrophobicContact CG2-CB 4.41Å; V149-L177 HydrophobicContact CB-CD2 3.63Å; V149-L177 HydrophobicContact CB-CG 4.08Å; V149-L177 HydrophobicContact CG1-CD2 3.99Å; V149-L177 HydrophobicContact CG1-CG 3.85Å; V149-L177 HydrophobicContact CG2-CD2 3.76Å; V149-L177 HydrophobicContact CG2-CG 4.37Å; V149-R180 HydrophobicContact CG2-CB 4.48Å; V149-R180 HydrophobicContact CG2-CG 4.03Å |
| 150 | L | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.9 | -45.3 | 176.4 | -73.6 | 176.3 | 0 | 0 | 0 | 111.8 | I113 V115 V146 E148 S152 V153 V154 V173 | I113-L150 HydrophobicContact CG2-CD2 4.34Å; V115-L150 HydrophobicContact CG2-CD1 3.76Å; V115-L150 HydrophobicContact CG2-CD2 3.83Å; V115-L150 HydrophobicContact CG2-CG 4.32Å; V146-L150 HydrophobicContact CG1-CD1 3.63Å; V146-L150 HydrophobicContact CG1-CG 4.16Å; V146-L150 VanDerWaalsContact O-CB 3.24Å; V146-L150 WeakPolarHBondContact O-CB 3.39Å; V146-L150 WeakPolarHBondContact O-CG 3.32Å; V146-L150 PolarHBondContact O-N 3.47Å; E148-L150 PolarHBondContact O-N 3.42Å; L150-S152 VanDerWaalsContact C-N 3.34Å; L150-S152 PolarHBondContact O-N 3.46Å; L150-V153 PolarHBondContact O-N 3.39Å; L150-V154 WeakPolarHBondContact O-CB 3.34Å; L150-V154 WeakPolarHBondContact O-CG2 3.34Å; L150-V154 PolarHBondContact O-N 3.13Å; L150-V173 HydrophobicContact CD2-CG1 4.08Å; L150-V173 HydrophobicContact CD2-CG2 4.16Å |
| 151 | K | 93.8 | Very high | 93.3 | Very high | 116 Ų | 116 | 37.9 Ų | 37.9 | 50% | 0.504 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 174.5 | -73.2 | 173.4 | -175.3 | -178.6 | 0 | 112.3 | T103 N147 E148 V149 V153 A155 | T103-K151 HydrophobicContact CG2-CB 4.31Å; T103-K151 HydrophobicContact CG2-CG 3.96Å; N147-K151 WeakPolarHBondContact O-CB 3.49Å; N147-K151 WeakPolarHBondContact O-CG 3.04Å; N147-K151 PolarHBondContact O-N 2.91Å; E148-K151 PolarHBondContact O-N 2.94Å; V149-K151 VanDerWaalsContact C-N 3.34Å; V149-K151 PolarHBondContact O-N 3.34Å; K151-V153 PolarHBondContact O-N 3.29Å; K151-A155 WeakPolarHBondContact O-CB 3.48Å; K151-A155 PolarHBondContact O-N 2.93Å |
| 152 | S | 94.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.4 | -36.2 | -178.9 | 78.1 | 0 | 0 | 0 | 0 | 113.7 | E148 V149 L150 K156 | E148-S152 PolarHBondContact O-N 3.48Å; V149-S152 PolarHBondContact O-N 2.92Å; V149-S152 VanDerWaalsContact O-N 3.15Å; V149-S152 PolarHBondContact O-OG 3.08Å; L150-S152 VanDerWaalsContact C-N 3.34Å; L150-S152 PolarHBondContact O-N 3.46Å; S152-K156 WeakPolarHBondContact O-CE 3.37Å; S152-K156 WeakPolarHBondContact O-CG 3.5Å |
| 153 | V | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -82.5 | -47 | -176.3 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | V149 L150 K151 A155 K156 F157 V169 L172 V173 E176 | V149-V153 HydrophobicContact CG1-CG2 3.99Å; V149-V153 WeakPolarHBondContact O-CG2 3.18Å; V149-V153 PolarHBondContact O-N 2.77Å; L150-V153 PolarHBondContact O-N 3.39Å; K151-V153 PolarHBondContact O-N 3.29Å; V153-A155 VanDerWaalsContact C-N 3.28Å; V153-A155 PolarHBondContact O-N 3.37Å; V153-K156 WeakPolarHBondContact O-CB 3.36Å; V153-K156 PolarHBondContact O-N 2.88Å; V153-F157 HydrophobicContact CG1-CD2 4.32Å; V153-F157 HydrophobicContact CG1-CE2 4.08Å; V153-F157 WeakPolarHBondContact O-CD2 3.3Å; V153-V169 HydrophobicContact CG1-CG1 4.23Å; V153-L172 HydrophobicContact CB-CD2 4.09Å; V153-L172 HydrophobicContact CG1-CD2 3.66Å; V153-L172 HydrophobicContact CG2-CD2 3.34Å; V153-V173 HydrophobicContact CB-CG2 4Å; V153-V173 HydrophobicContact CG1-CG2 3.65Å; V153-V173 HydrophobicContact CG2-CG2 4.21Å; V153-E176 HydrophobicContact CG2-CG 4.24Å |
| 154 | V | 93.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -34.6 | -176.3 | 175.4 | 0 | 0 | 0 | 0 | 111 | T103 I113 L150 K156 F157 L162 | T103-V154 HydrophobicContact CG2-CB 3.63Å; T103-V154 HydrophobicContact CG2-CG1 3.71Å; T103-V154 HydrophobicContact CG2-CG2 4.22Å; I113-V154 HydrophobicContact CD1-CB 4.37Å; I113-V154 HydrophobicContact CD1-CG1 4.11Å; I113-V154 HydrophobicContact CD1-CG2 3.31Å; L150-V154 WeakPolarHBondContact O-CB 3.34Å; L150-V154 WeakPolarHBondContact O-CG2 3.34Å; L150-V154 PolarHBondContact O-N 3.13Å; V154-K156 PolarHBondContact O-N 3.17Å; V154-K156 VanDerWaalsContact O-N 3.13Å; V154-F157 PolarHBondContact O-N 3.37Å; V154-F157 VanDerWaalsContact O-N 3.1Å; V154-L162 HydrophobicContact CG1-CD1 3.87Å |
| 155 | A | 94.1 | Very high | 93.1 | Very high | 51 Ų | 51 | 45 Ų | 45 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | K106 K151 V153 | K106-A155 WeakPolarHBondContact CA-O 3.31Å; K106-A155 VanDerWaalsContact CB-O 3.31Å; K106-A155 WeakPolarHBondContact CB-O 3.34Å; K151-A155 WeakPolarHBondContact O-CB 3.48Å; K151-A155 PolarHBondContact O-N 2.93Å; V153-A155 VanDerWaalsContact C-N 3.28Å; V153-A155 PolarHBondContact O-N 3.37Å |
| 156 | K | 94.4 | Very high | 93 | Very high | 115 Ų | 115 | 49.5 Ų | 49.5 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -20.8 | 177 | -61.9 | 171.4 | -175.5 | 175.8 | 0 | 112.8 | S152 V153 V154 | S152-K156 WeakPolarHBondContact O-CE 3.37Å; S152-K156 WeakPolarHBondContact O-CG 3.5Å; V153-K156 WeakPolarHBondContact O-CB 3.36Å; V153-K156 PolarHBondContact O-N 2.88Å; V154-K156 PolarHBondContact O-N 3.17Å; V154-K156 VanDerWaalsContact O-N 3.13Å |
| 157 | F | 94.8 | Very high | 92.9 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 9% | 0.092 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -112.1 | 147.7 | -174.6 | -67 | -84.1 | 0 | 0 | 0 | 111.9 | K106 V153 V154 Q161 L162 V169 L172 | K106-F157 WeakPolarHBondContact CB-O 3.4Å; K106-F157 PolarHBondContact N-O 2.94Å; V153-F157 HydrophobicContact CG1-CD2 4.32Å; V153-F157 HydrophobicContact CG1-CE2 4.08Å; V153-F157 WeakPolarHBondContact O-CD2 3.3Å; V154-F157 PolarHBondContact O-N 3.37Å; V154-F157 VanDerWaalsContact O-N 3.1Å; F157-Q161 HydrophobicContact CB-CB 4.42Å; F157-Q161 HydrophobicContact CD1-CB 4.3Å; F157-L162 HydrophobicContact CB-CD2 3.79Å; F157-L162 HydrophobicContact CB-CG 4.27Å; F157-L162 HydrophobicContact CG-CD2 4.42Å; F157-V169 HydrophobicContact CD1-CG2 4.14Å; F157-V169 HydrophobicContact CD2-CG2 3.97Å; F157-V169 HydrophobicContact CE1-CG2 4.15Å; F157-V169 HydrophobicContact CE2-CG2 4.01Å; F157-V169 HydrophobicContact CG-CG2 4.05Å; F157-V169 HydrophobicContact CZ-CG2 4.1Å; F157-L172 HydrophobicContact CE2-CD1 4.3Å; F157-L172 HydrophobicContact CZ-CD1 4.32Å |
| 158 | N | 93.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | trans | -75.3 | 153.8 | 169.7 | -65.1 | -21.6 | 0 | 0 | 0 | 110.4 | K106 S160 Q161 L162 | K106-N158 WeakPolarHBondContact CB-OD1 3.4Å; N158-S160 VanDerWaalsContact C-N 3.27Å; N158-S160 PolarHBondContact O-N 3.1Å; N158-Q161 HydrophobicContact CB-CG 4.29Å; N158-Q161 VanDerWaalsContact N-OE1 3.15Å; N158-Q161 WeakPolarHBondContact O-CA 3.18Å; N158-Q161 WeakPolarHBondContact O-CB 3.33Å; N158-Q161 PolarHBondContact O-N 2.94Å; N158-L162 PolarHBondContact O-N 3.34Å; N158-L162 VanDerWaalsContact O-N 3.17Å | ||
| 159 | A | 90.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.5 | -40.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D107 Q109 Q161 L162 F198 Y202 | D107-A159 PolarHBondContact OD1-N 3.13Å; Q109-A159 HydrophobicContact CB-CB 4.14Å; Q109-A159 HydrophobicContact CG-CB 4.36Å; A159-Q161 VanDerWaalsContact C-N 3.31Å; A159-Q161 PolarHBondContact O-N 3.21Å; A159-L162 WeakPolarHBondContact O-CB 3.42Å; A159-L162 PolarHBondContact O-N 3.28Å; A159-F198 HydrophobicContact CB-CD1 4.11Å; A159-F198 HydrophobicContact CB-CE1 3.53Å; A159-F198 HydrophobicContact CB-CZ 4.34Å; A159-F198 VanDerWaalsContact O-CZ 3.31Å; A159-F198 WeakPolarHBondContact O-CZ 3.27Å; A159-Y202 HydrophobicContact CB-CE1 3.88Å; A159-Y202 HydrophobicContact CB-CE2 4.48Å; A159-Y202 WeakPolarHBondContact CB-OH 3.33Å |
| 160 | S | 87.9 | Confident | 92.7 | Very high | 58 Ų | 58 | 53.4 Ų | 53.4 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65 | -30.9 | 175.9 | 60.1 | 0 | 0 | 0 | 0 | 114 | N158 T164 | N158-S160 VanDerWaalsContact C-N 3.27Å; N158-S160 PolarHBondContact O-N 3.1Å; S160-T164 PolarHBondContact O-N 3.01Å; S160-T164 PolarHBondContact O-OG1 2.99Å |
| 161 | Q | 92 | Very high | 92.7 | Very high | 58 Ų | 58 | 58.2 Ų | 58.2 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -75.2 | -30.8 | 177.6 | -68.5 | 174.4 | -25.6 | 0 | 0 | 111.7 | F157 N158 A159 I163 T164 Q165 | F157-Q161 HydrophobicContact CB-CB 4.42Å; F157-Q161 HydrophobicContact CD1-CB 4.3Å; N158-Q161 HydrophobicContact CB-CG 4.29Å; N158-Q161 VanDerWaalsContact N-OE1 3.15Å; N158-Q161 WeakPolarHBondContact O-CA 3.18Å; N158-Q161 WeakPolarHBondContact O-CB 3.33Å; N158-Q161 PolarHBondContact O-N 2.94Å; A159-Q161 VanDerWaalsContact C-N 3.31Å; A159-Q161 PolarHBondContact O-N 3.21Å; Q161-I163 PolarHBondContact O-N 3.09Å; Q161-T164 WeakPolarHBondContact CA-OG1 3.38Å; Q161-T164 PolarHBondContact O-N 2.91Å; Q161-Q165 WeakPolarHBondContact O-CA 3.26Å; Q161-Q165 WeakPolarHBondContact O-CB 3.27Å; Q161-Q165 PolarHBondContact O-N 2.92Å |
| 162 | L | 91.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -30 | 175.5 | -62.4 | 172.9 | 0 | 0 | 0 | 112.3 | V111 V154 F157 N158 A159 V169 L196 F198 | V111-L162 HydrophobicContact CG1-CD1 4.41Å; V111-L162 HydrophobicContact CG2-CD1 4.05Å; V154-L162 HydrophobicContact CG1-CD1 3.87Å; F157-L162 HydrophobicContact CB-CD2 3.79Å; F157-L162 HydrophobicContact CB-CG 4.27Å; F157-L162 HydrophobicContact CG-CD2 4.42Å; N158-L162 PolarHBondContact O-N 3.34Å; N158-L162 VanDerWaalsContact O-N 3.17Å; A159-L162 WeakPolarHBondContact O-CB 3.42Å; A159-L162 PolarHBondContact O-N 3.28Å; L162-V169 HydrophobicContact CD2-CG1 3.99Å; L162-V169 HydrophobicContact CD2-CG2 4.03Å; L162-L196 HydrophobicContact CB-CD1 3.97Å; L162-F198 HydrophobicContact CB-CZ 4.39Å |
| 163 | I | 89.1 | Confident | 92.8 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -78.5 | -54.4 | 174.1 | -55 | 176.9 | 0 | 0 | 0 | 110.3 | Q161 L196 F198 | Q161-I163 PolarHBondContact O-N 3.09Å; I163-L196 HydrophobicContact CG1-CD2 4.49Å; I163-F198 HydrophobicContact CD1-CD2 4.21Å; I163-F198 HydrophobicContact CD1-CE2 3.42Å; I163-F198 VanDerWaalsContact CD1-CE2 3.42Å; I163-F198 HydrophobicContact CD1-CZ 3.94Å; I163-F198 HydrophobicContact CG1-CE2 3.41Å; I163-F198 VanDerWaalsContact CG1-CE2 3.41Å; I163-F198 HydrophobicContact CG1-CZ 3.67Å |
| 164 | T | 90.4 | Very high | 92.8 | Very high | 108 Ų | 108 | 57.1 Ų | 57.1 | 66% | 0.663 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -75.7 | -35.6 | -170.2 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | S160 Q161 | S160-T164 PolarHBondContact O-N 3.01Å; S160-T164 PolarHBondContact O-OG1 2.99Å; Q161-T164 WeakPolarHBondContact CA-OG1 3.38Å; Q161-T164 PolarHBondContact O-N 2.91Å |
| 165 | Q | 93.2 | Very high | 92.9 | Very high | 76 Ų | 76 | 65 Ų | 65 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 30.8 | -176.2 | -59.6 | 178.8 | 6.3 | 0 | 0 | 112.3 | Q161 A167 Q168 V169 | Q161-Q165 WeakPolarHBondContact O-CA 3.26Å; Q161-Q165 WeakPolarHBondContact O-CB 3.27Å; Q161-Q165 PolarHBondContact O-N 2.92Å; Q165-A167 PolarHBondContact O-N 2.9Å; Q165-A167 VanDerWaalsContact O-N 3.1Å; Q165-Q168 PolarHBondContact O-N 2.94Å; Q165-V169 PolarHBondContact O-N 3.4Å; Q165-V169 VanDerWaalsContact O-N 3.16Å |
| 166 | R | 91.6 | Very high | 92.9 | Very high | 103 Ų | 103 | 65.1 Ų | 65.1 | 39% | 0.389 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52 | -37.5 | -175.6 | -171.5 | -179.2 | -173.7 | -90.5 | 8.1 | 114 | V169 S170 I193 | R166-V169 PolarHBondContact O-N 3.47Å; R166-S170 WeakPolarHBondContact O-CB 3.4Å; R166-S170 PolarHBondContact O-N 2.98Å; R166-I193 VanDerWaalsContact NH2-C 3.31Å; R166-I193 PolarHBondContact NH2-O 3.3Å |
| 167 | A | 92.6 | Very high | 93 | Very high | 82 Ų | 82 | 59.7 Ų | 59.7 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.5 | -43.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q165 S170 L171 | Q165-A167 PolarHBondContact O-N 2.9Å; Q165-A167 VanDerWaalsContact O-N 3.1Å; A167-S170 PolarHBondContact O-N 3.24Å; A167-L171 PolarHBondContact O-N 2.91Å |
| 168 | Q | 93.6 | Very high | 93 | Very high | 112 Ų | 112 | 60.8 Ų | 60.8 | 52% | 0.523 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 178 | -175.8 | 178 | 3.3 | 0 | 0 | 111.2 | Q165 S170 L171 L172 | Q165-Q168 PolarHBondContact O-N 2.94Å; Q168-S170 VanDerWaalsContact C-N 3.35Å; Q168-S170 PolarHBondContact O-N 2.51Å; Q168-L171 PolarHBondContact O-N 3.21Å; Q168-L172 PolarHBondContact O-N 3.22Å |
| 169 | V | 93.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | V153 F157 L162 Q165 R166 L171 L172 V173 I193 | V153-V169 HydrophobicContact CG1-CG1 4.23Å; F157-V169 HydrophobicContact CD1-CG2 4.14Å; F157-V169 HydrophobicContact CD2-CG2 3.97Å; F157-V169 HydrophobicContact CE1-CG2 4.15Å; F157-V169 HydrophobicContact CE2-CG2 4.01Å; F157-V169 HydrophobicContact CG-CG2 4.05Å; F157-V169 HydrophobicContact CZ-CG2 4.1Å; L162-V169 HydrophobicContact CD2-CG1 3.99Å; L162-V169 HydrophobicContact CD2-CG2 4.03Å; Q165-V169 PolarHBondContact O-N 3.4Å; Q165-V169 VanDerWaalsContact O-N 3.16Å; R166-V169 PolarHBondContact O-N 3.47Å; V169-L171 VanDerWaalsContact C-N 3.32Å; V169-L171 PolarHBondContact O-N 3.07Å; V169-L172 PolarHBondContact O-N 3.04Å; V169-V173 HydrophobicContact CG1-CG2 4.26Å; V169-V173 WeakPolarHBondContact O-CB 3.48Å; V169-V173 VanDerWaalsContact O-CG2 3.32Å; V169-V173 WeakPolarHBondContact O-CG2 3.16Å; V169-V173 PolarHBondContact O-N 3.33Å; V169-I193 HydrophobicContact CG1-CD1 4.25Å |
| 170 | S | 93.3 | Very high | 93.3 | Very high | 21 Ų | 21 | 68.2 Ų | 68.2 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 179.2 | -169.2 | 0 | 0 | 0 | 0 | 112.8 | R166 A167 Q168 R174 | R166-S170 WeakPolarHBondContact O-CB 3.4Å; R166-S170 PolarHBondContact O-N 2.98Å; A167-S170 PolarHBondContact O-N 3.24Å; Q168-S170 VanDerWaalsContact C-N 3.35Å; Q168-S170 PolarHBondContact O-N 2.51Å; S170-R174 WeakPolarHBondContact O-CB 3.49Å; S170-R174 PolarHBondContact O-N 3.03Å |
| 171 | L | 94.2 | Very high | 93.5 | Very high | 101 Ų | 101 | 65.6 Ų | 65.6 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 175.9 | -174.3 | 155.9 | 0 | 0 | 0 | 111 | A167 Q168 V169 R174 R175 | A167-L171 PolarHBondContact O-N 2.91Å; Q168-L171 PolarHBondContact O-N 3.21Å; V169-L171 VanDerWaalsContact C-N 3.32Å; V169-L171 PolarHBondContact O-N 3.07Å; L171-R174 PolarHBondContact O-N 3.36Å; L171-R175 PolarHBondContact O-N 3.18Å |
| 172 | L | 94.9 | Very high | 93.5 | Very high | 42 Ų | 42 | 69.1 Ų | 69.1 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 179.4 | -160.9 | 156 | 0 | 0 | 0 | 110.9 | V153 F157 Q168 V169 R174 R175 E176 | V153-L172 HydrophobicContact CB-CD2 4.09Å; V153-L172 HydrophobicContact CG1-CD2 3.66Å; V153-L172 HydrophobicContact CG2-CD2 3.34Å; F157-L172 HydrophobicContact CE2-CD1 4.3Å; F157-L172 HydrophobicContact CZ-CD1 4.32Å; Q168-L172 PolarHBondContact O-N 3.22Å; V169-L172 PolarHBondContact O-N 3.04Å; L172-R174 VanDerWaalsContact C-N 3.29Å; L172-R174 PolarHBondContact O-N 3.32Å; L172-R175 PolarHBondContact O-N 2.99Å; L172-E176 HydrophobicContact CD2-CG 3.83Å; L172-E176 WeakPolarHBondContact O-CG 3.24Å; L172-E176 PolarHBondContact O-N 3.46Å; L172-E176 VanDerWaalsContact O-N 3.07Å |
| 173 | V | 95.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56 | -44.8 | 174.1 | 169.9 | 0 | 0 | 0 | 0 | 111 | L150 V153 V169 R175 L177 V191 | L150-V173 HydrophobicContact CD2-CG1 4.08Å; L150-V173 HydrophobicContact CD2-CG2 4.16Å; V153-V173 HydrophobicContact CB-CG2 4Å; V153-V173 HydrophobicContact CG1-CG2 3.65Å; V153-V173 HydrophobicContact CG2-CG2 4.21Å; V169-V173 HydrophobicContact CG1-CG2 4.26Å; V169-V173 WeakPolarHBondContact O-CB 3.48Å; V169-V173 VanDerWaalsContact O-CG2 3.32Å; V169-V173 WeakPolarHBondContact O-CG2 3.16Å; V169-V173 PolarHBondContact O-N 3.33Å; V173-R175 PolarHBondContact O-N 3.39Å; V173-L177 HydrophobicContact CG1-CD1 3.59Å; V173-L177 HydrophobicContact CG1-CG 4.21Å; V173-L177 VanDerWaalsContact O-CB 3.27Å; V173-L177 WeakPolarHBondContact O-CB 3.46Å; V173-L177 VanDerWaalsContact O-CG 3.26Å; V173-L177 WeakPolarHBondContact O-CG 3.48Å; V173-L177 PolarHBondContact O-N 3.16Å; V173-V191 HydrophobicContact CG1-CG1 4.3Å |
| 174 | R | 95 | Very high | 93.6 | Very high | 100 Ų | 100 | 73.3 Ų | 73.3 | 38% | 0.377 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 177.3 | 180 | -176.2 | -63.3 | -140.1 | -6.7 | 111.8 | S170 L171 L172 L177 V178 D190 V191 | S170-R174 WeakPolarHBondContact O-CB 3.49Å; S170-R174 PolarHBondContact O-N 3.03Å; L171-R174 PolarHBondContact O-N 3.36Å; L172-R174 VanDerWaalsContact C-N 3.29Å; L172-R174 PolarHBondContact O-N 3.32Å; R174-L177 PolarHBondContact O-N 3.39Å; R174-V178 HydrophobicContact CG-CG2 4.33Å; R174-V178 WeakPolarHBondContact O-CB 3.21Å; R174-V178 WeakPolarHBondContact O-CG2 3.46Å; R174-V178 PolarHBondContact O-N 3.02Å; R174-D190 IonicContact CZ-OD1 3.45Å; R174-D190 IonicContact NH1-OD1 2.94Å; R174-D190 IonicContact NH2-OD1 2.89Å; R174-D190 PolarHBondContact NH2-OD1 3.06Å; R174-V191 HydrophobicContact CB-CB 4.26Å; R174-V191 HydrophobicContact CG-CB 4.25Å; R174-V191 HydrophobicContact CG-CG2 4.47Å; R174-V191 PolarHBondContact NH2-O 3.49Å |
| 175 | R | 95.1 | Very high | 93.7 | Very high | 165 Ų | 165 | 69.6 Ų | 69.6 | 62% | 0.623 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.2 | -52.8 | -178.6 | -178.1 | -177.3 | -66.2 | 169.5 | -2.1 | 111.4 | L171 L172 V173 L177 V178 E179 | L171-R175 PolarHBondContact O-N 3.18Å; L172-R175 PolarHBondContact O-N 2.99Å; V173-R175 PolarHBondContact O-N 3.39Å; R175-L177 PolarHBondContact O-N 2.89Å; R175-V178 PolarHBondContact O-N 3.1Å; R175-E179 PolarHBondContact O-N 3.17Å |
| 176 | E | 95.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | -178.6 | -64.8 | -75.1 | 166.6 | 0 | 0 | 111.5 | V149 V153 L172 E179 R180 | V149-E176 HydrophobicContact CG1-CB 3.51Å; V149-E176 HydrophobicContact CG2-CB 4.41Å; V153-E176 HydrophobicContact CG2-CG 4.24Å; L172-E176 HydrophobicContact CD2-CG 3.83Å; L172-E176 WeakPolarHBondContact O-CG 3.24Å; L172-E176 PolarHBondContact O-N 3.46Å; L172-E176 VanDerWaalsContact O-N 3.07Å; E176-E179 PolarHBondContact O-N 3.27Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 2.79Å |
| 177 | L | 95.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.9 | -77 | 175.9 | 0 | 0 | 0 | 112.6 | I145 V146 V149 V173 R174 R175 E179 A181 L188 V191 | I145-L177 HydrophobicContact CG2-CD2 3.93Å; V146-L177 HydrophobicContact CB-CD2 4.45Å; V146-L177 HydrophobicContact CG2-CD1 4.42Å; V146-L177 HydrophobicContact CG2-CD2 3.93Å; V149-L177 HydrophobicContact CB-CD2 3.63Å; V149-L177 HydrophobicContact CB-CG 4.08Å; V149-L177 HydrophobicContact CG1-CD2 3.99Å; V149-L177 HydrophobicContact CG1-CG 3.85Å; V149-L177 HydrophobicContact CG2-CD2 3.76Å; V149-L177 HydrophobicContact CG2-CG 4.37Å; V173-L177 HydrophobicContact CG1-CD1 3.59Å; V173-L177 HydrophobicContact CG1-CG 4.21Å; V173-L177 VanDerWaalsContact O-CB 3.27Å; V173-L177 WeakPolarHBondContact O-CB 3.46Å; V173-L177 VanDerWaalsContact O-CG 3.26Å; V173-L177 WeakPolarHBondContact O-CG 3.48Å; V173-L177 PolarHBondContact O-N 3.16Å; R174-L177 PolarHBondContact O-N 3.39Å; R175-L177 PolarHBondContact O-N 2.89Å; L177-E179 VanDerWaalsContact C-N 3.31Å; L177-A181 WeakPolarHBondContact O-CB 3.14Å; L177-A181 PolarHBondContact O-N 3.5Å; L177-L188 HydrophobicContact CB-CD1 3.73Å; L177-V191 HydrophobicContact CD1-CG1 3.68Å; L177-V191 HydrophobicContact CD1-CG2 4.31Å |
| 178 | V | 94.9 | Very high | 93.9 | Very high | 45 Ų | 45 | 60.4 Ų | 60.4 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 177.3 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | R174 R175 K182 L188 | R174-V178 HydrophobicContact CG-CG2 4.33Å; R174-V178 WeakPolarHBondContact O-CB 3.21Å; R174-V178 WeakPolarHBondContact O-CG2 3.46Å; R174-V178 PolarHBondContact O-N 3.02Å; R175-V178 PolarHBondContact O-N 3.1Å; V178-K182 WeakPolarHBondContact O-CG 3.38Å; V178-K182 PolarHBondContact O-N 2.88Å; V178-L188 HydrophobicContact CG2-CB 4.14Å; V178-L188 HydrophobicContact CG2-CD1 4.5Å |
| 179 | E | 94.8 | Very high | 93.8 | Very high | 112 Ų | 112 | 58.7 Ų | 58.7 | 52% | 0.523 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.6 | -51.3 | 176.8 | -170 | 168 | 177.7 | 0 | 0 | 111.2 | R175 E176 L177 A181 K182 | R175-E179 PolarHBondContact O-N 3.17Å; E176-E179 PolarHBondContact O-N 3.27Å; L177-E179 VanDerWaalsContact C-N 3.31Å; E179-A181 VanDerWaalsContact C-N 3.35Å; E179-A181 PolarHBondContact O-N 2.8Å; E179-K182 WeakPolarHBondContact O-CB 3.34Å; E179-K182 PolarHBondContact O-N 3.15Å |
| 180 | R | 94.9 | Very high | 93.7 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 36% | 0.362 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -33.1 | 177.8 | -67.5 | -54.1 | -163.9 | 98.1 | 13.9 | 113.9 | I145 E148 V149 E176 K182 D183 F184 | I145-R180 HydrophobicContact CG2-CB 3.62Å; E148-R180 IonicContact OE1-CZ 3.19Å; E148-R180 IonicContact OE1-NH1 2.84Å; E148-R180 PolarHBondContact OE1-NH1 3.36Å; E148-R180 IonicContact OE1-NH2 2.8Å; E148-R180 PolarHBondContact OE1-NH2 2.91Å; E148-R180 IonicContact OE2-NH1 3.63Å; V149-R180 HydrophobicContact CG2-CB 4.48Å; V149-R180 HydrophobicContact CG2-CG 4.03Å; E176-R180 WeakPolarHBondContact O-CG 3.48Å; E176-R180 PolarHBondContact O-N 2.79Å; R180-K182 VanDerWaalsContact C-N 3.29Å; R180-K182 PolarHBondContact O-N 2.97Å; R180-D183 PolarHBondContact O-N 3.26Å; R180-F184 WeakPolarHBondContact O-CD2 3.4Å |
| 181 | A | 93.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.7 | -27.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L177 E179 D183 F184 N185 I186 L188 | L177-A181 WeakPolarHBondContact O-CB 3.14Å; L177-A181 PolarHBondContact O-N 3.5Å; E179-A181 VanDerWaalsContact C-N 3.35Å; E179-A181 PolarHBondContact O-N 2.8Å; A181-D183 VanDerWaalsContact C-N 3.31Å; A181-D183 PolarHBondContact O-N 2.92Å; A181-F184 PolarHBondContact O-N 3.39Å; A181-N185 PolarHBondContact O-N 3.41Å; A181-I186 CarbonylContact C-O 3.22Å; A181-I186 HydrophobicContact CB-CB 4.37Å; A181-I186 PolarHBondContact O-N 3.17Å; A181-L188 HydrophobicContact CB-CD1 3.82Å; A181-L188 HydrophobicContact CB-CD2 4.47Å; A181-L188 HydrophobicContact CB-CG 3.8Å |
| 182 | K | 91.9 | Very high | 93.6 | Very high | 133 Ų | 133 | 55.8 Ų | 55.8 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.7 | -37.4 | 177.3 | -76.7 | 170.6 | -178.9 | -177.6 | 0 | 112.4 | V178 E179 R180 F184 N185 | V178-K182 WeakPolarHBondContact O-CG 3.38Å; V178-K182 PolarHBondContact O-N 2.88Å; E179-K182 WeakPolarHBondContact O-CB 3.34Å; E179-K182 PolarHBondContact O-N 3.15Å; R180-K182 VanDerWaalsContact C-N 3.29Å; R180-K182 PolarHBondContact O-N 2.97Å; K182-F184 PolarHBondContact O-N 2.91Å; K182-F184 VanDerWaalsContact O-N 3.15Å; K182-N185 PolarHBondContact O-N 3.36Å |
| 183 | D | 91.6 | Very high | 93.6 | Very high | 111 Ų | 111 | 54.2 Ų | 54.2 | 59% | 0.594 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -58.9 | -28.7 | 178.6 | -61.4 | -23.8 | 0 | 0 | 0 | 112.1 | R180 A181 | R180-D183 PolarHBondContact O-N 3.26Å; A181-D183 VanDerWaalsContact C-N 3.31Å; A181-D183 PolarHBondContact O-N 2.92Å |
| 184 | F | 91.3 | Very high | 93.4 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 31% | 0.311 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 10.2 | 178.4 | -61.2 | -82.3 | 0 | 0 | 0 | 113.6 | L133 V141 I145 R180 A181 K182 I186 | L133-F184 HydrophobicContact CD1-CB 4.26Å; L133-F184 HydrophobicContact CD2-CD1 4.1Å; V141-F184 HydrophobicContact CG1-CB 4.4Å; V141-F184 HydrophobicContact CG1-CD1 4.06Å; V141-F184 HydrophobicContact CG1-CD2 4.13Å; V141-F184 HydrophobicContact CG1-CE1 4.34Å; V141-F184 HydrophobicContact CG1-CE2 4.4Å; V141-F184 HydrophobicContact CG1-CG 3.92Å; V141-F184 HydrophobicContact CG1-CZ 4.49Å; I145-F184 HydrophobicContact CD1-CD2 3.31Å; I145-F184 HydrophobicContact CD1-CE2 3.48Å; I145-F184 VanDerWaalsContact CD1-CE2 3.48Å; I145-F184 HydrophobicContact CD1-CG 4.18Å; I145-F184 HydrophobicContact CD1-CZ 4.46Å; I145-F184 HydrophobicContact CG1-CD2 4.29Å; I145-F184 HydrophobicContact CG1-CE2 3.96Å; R180-F184 WeakPolarHBondContact O-CD2 3.4Å; A181-F184 PolarHBondContact O-N 3.39Å; K182-F184 PolarHBondContact O-N 2.91Å; K182-F184 VanDerWaalsContact O-N 3.15Å; F184-I186 HydrophobicContact CB-CD1 4.07Å; F184-I186 HydrophobicContact CB-CG1 4.33Å; F184-I186 PolarHBondContact O-N 3.5Å |
| 185 | N | 92.1 | Very high | 93.1 | Very high | 30 Ų | 30 | 57.7 Ų | 57.7 | 16% | 0.16 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 30.3 | -176.6 | -57.8 | -80.1 | 0 | 0 | 0 | 114.1 | M122 S125 A181 K182 | M122-N185 HydrophobicContact CB-CB 4.36Å; M122-N185 WeakPolarHBondContact CB-O 3.16Å; M122-N185 PolarHBondContact N-O 3.23Å; S125-N185 VanDerWaalsContact CB-OD1 3.27Å; S125-N185 WeakPolarHBondContact CB-OD1 3.48Å; S125-N185 PolarHBondContact OG-OD1 2.87Å; A181-N185 PolarHBondContact O-N 3.41Å; K182-N185 PolarHBondContact O-N 3.36Å |
| 186 | I | 93.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 135 | 176.6 | -59.6 | 166.1 | 0 | 0 | 0 | 108.8 | Y137 V141 L142 A181 F184 L188 | Y137-I186 HydrophobicContact CD2-CD1 3.76Å; Y137-I186 HydrophobicContact CD2-CG1 3.95Å; Y137-I186 HydrophobicContact CE2-CD1 4.43Å; Y137-I186 HydrophobicContact CE2-CG1 4.32Å; V141-I186 HydrophobicContact CG1-CD1 4.4Å; L142-I186 HydrophobicContact CD2-CD1 4.47Å; L142-I186 HydrophobicContact CD2-CG2 4.39Å; A181-I186 CarbonylContact C-O 3.22Å; A181-I186 HydrophobicContact CB-CB 4.37Å; A181-I186 PolarHBondContact O-N 3.17Å; F184-I186 HydrophobicContact CB-CD1 4.07Å; F184-I186 HydrophobicContact CB-CG1 4.33Å; F184-I186 PolarHBondContact O-N 3.5Å; I186-L188 HydrophobicContact CG2-CD2 4.31Å |
| 187 | I | 93.6 | Very high | 92.7 | Very high | 44 Ų | 44 | 52.1 Ų | 52.1 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.2 | 175.8 | -59.3 | 167.7 | 0 | 0 | 0 | 108.4 | S119 R120 M122 | S119-I187 WeakPolarHBondContact CA-O 3.47Å; R120-I187 HydrophobicContact CG-CB 4Å; R120-I187 HydrophobicContact CG-CG2 4.44Å; R120-I187 PolarHBondContact N-O 3.1Å; R120-I187 PolarHBondContact O-N 3.1Å; M122-I187 HydrophobicContact CB-CD1 4.05Å; M122-I187 HydrophobicContact CB-CG1 4.29Å; M122-I187 HydrophobicContact CE-CD1 4.42Å; M122-I187 HydrophobicContact CE-CG1 4.19Å; M122-I187 HydrophobicContact CG-CD1 4.07Å |
| 188 | L | 94.3 | Very high | 92.5 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 111.1 | 171.7 | -57.4 | -179.8 | 0 | 0 | 0 | 108.6 | L118 L142 L177 V178 A181 I186 V191 | L118-L188 CarbonylContact O-C 3.6Å; L118-L188 WeakPolarHBondContact O-CA 3.21Å; L142-L188 HydrophobicContact CD2-CD2 4.32Å; L177-L188 HydrophobicContact CB-CD1 3.73Å; V178-L188 HydrophobicContact CG2-CB 4.14Å; V178-L188 HydrophobicContact CG2-CD1 4.5Å; A181-L188 HydrophobicContact CB-CD1 3.82Å; A181-L188 HydrophobicContact CB-CD2 4.47Å; A181-L188 HydrophobicContact CB-CG 3.8Å; I186-L188 HydrophobicContact CG2-CD2 4.31Å; L188-V191 HydrophobicContact CB-CG2 4.23Å; L188-V191 HydrophobicContact CD1-CG2 4.03Å |
| 189 | D | 92.1 | Very high | 92.3 | Very high | 77 Ų | 77 | 53.6 Ų | 53.6 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -35.2 | 179.4 | -64.4 | -40.5 | 0 | 0 | 0 | 111 | A94 L118 R120 | A94-D189 WeakPolarHBondContact CB-OD2 3.35Å; L118-D189 HydrophobicContact CB-CB 4.49Å; L118-D189 PolarHBondContact O-N 3.2Å; R120-D189 VanDerWaalsContact CD-OD2 3.27Å; R120-D189 WeakPolarHBondContact CD-OD2 3.48Å; R120-D189 IonicContact CZ-OD1 2.68Å; R120-D189 IonicContact NE-OD1 3.64Å; R120-D189 PolarHBondContact NE-OD1 3.39Å; R120-D189 IonicContact NE-OD2 3.76Å; R120-D189 PolarHBondContact NE-OD2 2.85Å; R120-D189 IonicContact NH2-OD1 3.63Å |
| 190 | D | 92.2 | Very high | 92 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145.3 | 176.8 | -174.2 | 38.3 | 0 | 0 | 0 | 111.6 | R116 L118 R174 | R116-D190 IonicContact CZ-OD2 3.77Å; R116-D190 IonicContact NH1-OD2 2.68Å; R116-D190 PolarHBondContact NH1-OD2 3.37Å; R116-D190 IonicContact NH2-OD2 4Å; R116-D190 PolarHBondContact NH2-OD2 3.02Å; L118-D190 HydrophobicContact CB-CB 4.11Å; L118-D190 HydrophobicContact CD1-CB 3.89Å; L118-D190 HydrophobicContact CG-CB 4.39Å; L118-D190 PolarHBondContact N-O 3.44Å; R174-D190 IonicContact CZ-OD1 3.45Å; R174-D190 IonicContact NH1-OD1 2.94Å; R174-D190 IonicContact NH2-OD1 2.89Å; R174-D190 PolarHBondContact NH2-OD1 3.06Å |
| 191 | V | 93.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 123.6 | 174 | 178.4 | 0 | 0 | 0 | 0 | 107.8 | V115 V117 V173 R174 L177 L188 | V115-V191 HydrophobicContact CG1-CG1 3.77Å; V117-V191 HydrophobicContact CG1-CG1 4.27Å; V117-V191 HydrophobicContact CG1-CG2 4.18Å; V173-V191 HydrophobicContact CG1-CG1 4.3Å; R174-V191 HydrophobicContact CB-CB 4.26Å; R174-V191 HydrophobicContact CG-CB 4.25Å; R174-V191 HydrophobicContact CG-CG2 4.47Å; R174-V191 PolarHBondContact NH2-O 3.49Å; L177-V191 HydrophobicContact CD1-CG1 3.68Å; L177-V191 HydrophobicContact CD1-CG2 4.31Å; L188-V191 HydrophobicContact CB-CG2 4.23Å; L188-V191 HydrophobicContact CD1-CG2 4.03Å |
| 192 | A | 92.3 | Very high | 91.6 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 20% | 0.198 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 131.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V115 R116 T194 | V115-A192 WeakPolarHBondContact CA-O 3.18Å; R116-A192 PolarHBondContact N-O 3.4Å; R116-A192 PolarHBondContact O-N 3.04Å; A192-T194 PolarHBondContact O-N 2.98Å |
| 193 | I | 93.1 | Very high | 91.5 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 126.9 | 164.7 | -56.5 | 171.9 | 0 | 0 | 0 | 106.4 | I113 G114 V115 R166 V169 | I113-I193 HydrophobicContact CG2-CG2 3.94Å; G114-I193 CarbonylContact O-C 3.57Å; G114-I193 WeakPolarHBondContact O-CA 3.07Å; V115-I193 HydrophobicContact CG2-CG1 4.37Å; R166-I193 VanDerWaalsContact NH2-C 3.31Å; R166-I193 PolarHBondContact NH2-O 3.3Å; V169-I193 HydrophobicContact CG1-CD1 4.25Å |
| 194 | T | 90.9 | Very high | 91.5 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -54 | 176 | 46.6 | 0 | 0 | 0 | 0 | 110.3 | G114 R116 A192 | G114-T194 VanDerWaalsContact C-OG1 3.31Å; G114-T194 PolarHBondContact O-N 3.29Å; G114-T194 PolarHBondContact O-OG1 3.38Å; G114-T194 VanDerWaalsContact O-OG1 3.14Å; R116-T194 HydrophobicContact CB-CG2 3.65Å; A192-T194 PolarHBondContact O-N 2.98Å |
| 195 | E | 90.4 | Very high | 91.5 | Very high | 126 Ų | 126 | 49.4 Ų | 49.4 | 59% | 0.589 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.3 | -169.5 | -69.6 | 166.2 | -145.3 | 0 | 0 | 109.1 | I113 G114 | I113-E195 WeakPolarHBondContact CA-O 3.34Å; G114-E195 PolarHBondContact N-O 3.29Å; G114-E195 PolarHBondContact O-N 3.23Å |
| 196 | L | 91.1 | Very high | 91.3 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 111.1 | 176 | -169.7 | 144.8 | 0 | 0 | 0 | 107.4 | V111 N112 I113 L162 I163 F198 | V111-L196 HydrophobicContact CG1-CD2 4.09Å; V111-L196 HydrophobicContact CG1-CG 3.97Å; N112-L196 WeakPolarHBondContact O-CA 3.41Å; I113-L196 HydrophobicContact CD1-CD1 4.36Å; I113-L196 HydrophobicContact CG1-CD1 4.26Å; I113-L196 HydrophobicContact CG1-CG 4.33Å; L162-L196 HydrophobicContact CB-CD1 3.97Å; I163-L196 HydrophobicContact CG1-CD2 4.49Å; L196-F198 HydrophobicContact CD2-CD2 4.05Å; L196-F198 HydrophobicContact CD2-CE1 4.2Å; L196-F198 HydrophobicContact CD2-CE2 3.13Å; L196-F198 HydrophobicContact CD2-CZ 3.26Å |
| 197 | S | 91.3 | Very high | 91.1 | Very high | 56 Ų | 56 | 55 Ų | 55 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 140.8 | -177.5 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | V111 N112 | V111-S197 WeakPolarHBondContact CG1-O 3.43Å; N112-S197 WeakPolarHBondContact CB-OG 3.27Å; N112-S197 PolarHBondContact N-O 2.87Å; N112-S197 PolarHBondContact O-N 2.94Å |
| 198 | F | 90.6 | Very high | 91.1 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 171.2 | 175.1 | -57.5 | -85.7 | 0 | 0 | 0 | 109.7 | V111 A159 L162 I163 L196 Y202 | V111-F198 HydrophobicContact CB-CD1 4.35Å; V111-F198 HydrophobicContact CB-CE1 4.28Å; V111-F198 HydrophobicContact CG1-CD1 4.01Å; V111-F198 HydrophobicContact CG1-CE1 3.78Å; V111-F198 HydrophobicContact CG1-CZ 4.28Å; V111-F198 HydrophobicContact CG2-CD1 3.68Å; V111-F198 HydrophobicContact CG2-CE1 3.51Å; A159-F198 HydrophobicContact CB-CD1 4.11Å; A159-F198 HydrophobicContact CB-CE1 3.53Å; A159-F198 HydrophobicContact CB-CZ 4.34Å; A159-F198 VanDerWaalsContact O-CZ 3.31Å; A159-F198 WeakPolarHBondContact O-CZ 3.27Å; L162-F198 HydrophobicContact CB-CZ 4.39Å; I163-F198 HydrophobicContact CD1-CD2 4.21Å; I163-F198 HydrophobicContact CD1-CE2 3.42Å; I163-F198 VanDerWaalsContact CD1-CE2 3.42Å; I163-F198 HydrophobicContact CD1-CZ 3.94Å; I163-F198 HydrophobicContact CG1-CE2 3.41Å; I163-F198 VanDerWaalsContact CG1-CE2 3.41Å; I163-F198 HydrophobicContact CG1-CZ 3.67Å; L196-F198 HydrophobicContact CD2-CD2 4.05Å; L196-F198 HydrophobicContact CD2-CE1 4.2Å; L196-F198 HydrophobicContact CD2-CE2 3.13Å; L196-F198 HydrophobicContact CD2-CZ 3.26Å; F198-Y202 HydrophobicContact CB-CD1 3.96Å; F198-Y202 HydrophobicContact CD1-CD1 4.1Å; F198-Y202 HydrophobicContact CD1-CE1 4.24Å; F198-Y202 HydrophobicContact CG-CD1 4.01Å; F198-Y202 HydrophobicContact CG-CE1 4.43Å |
| 199 | S | 89.9 | Confident | 91 | Very high | 45 Ų | 45 | 61.3 Ų | 61.3 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | trans | -58 | 143.6 | 168.2 | 65.4 | 0 | 0 | 0 | 0 | 110.5 | Q201 Y202 T203 | S199-Q201 PolarHBondContact O-N 3.47Å; S199-Y202 PolarHBondContact O-N 3.49Å; S199-Y202 VanDerWaalsContact OG-CB 3.3Å; S199-Y202 WeakPolarHBondContact OG-CB 3.16Å; S199-Y202 PolarHBondContact OG-N 3Å; S199-T203 PolarHBondContact O-N 2.95Å; S199-T203 VanDerWaalsContact O-N 3.1Å; S199-T203 PolarHBondContact O-OG1 3.3Å | ||
| 200 | S | 89.8 | Confident | 91.1 | Very high | 90 Ų | 90 | 63.2 Ų | 63.2 | 63% | 0.629 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.9 | -34.3 | -179.8 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | A204 | S200-A204 WeakPolarHBondContact O-CB 3.37Å; S200-A204 PolarHBondContact O-N 3.49Å |
| 201 | Q | 90.3 | Very high | 91.3 | Very high | 142 Ų | 142 | 64.9 Ų | 64.9 | 66% | 0.664 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.4 | -39.4 | 176.1 | -57.1 | 95.5 | 3.3 | 0 | 0 | 112.2 | S199 A205 | S199-Q201 PolarHBondContact O-N 3.47Å; Q201-A205 WeakPolarHBondContact O-CB 3.44Å; Q201-A205 PolarHBondContact O-N 3.48Å |
| 202 | Y | 88.9 | Confident | 91.4 | Very high | 41 Ų | 41 | 67.4 Ų | 67.4 | 16% | 0.161 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 178.6 | -175.4 | -94.4 | 0 | 0 | 0 | 111.2 | Q109 A159 F198 S199 A204 A205 V206 | Q109-Y202 HydrophobicContact CG-CD2 3.98Å; Q109-Y202 HydrophobicContact CG-CE2 3.82Å; A159-Y202 HydrophobicContact CB-CE1 3.88Å; A159-Y202 HydrophobicContact CB-CE2 4.48Å; A159-Y202 WeakPolarHBondContact CB-OH 3.33Å; F198-Y202 HydrophobicContact CB-CD1 3.96Å; F198-Y202 HydrophobicContact CD1-CD1 4.1Å; F198-Y202 HydrophobicContact CD1-CE1 4.24Å; F198-Y202 HydrophobicContact CG-CD1 4.01Å; F198-Y202 HydrophobicContact CG-CE1 4.43Å; S199-Y202 PolarHBondContact O-N 3.49Å; S199-Y202 VanDerWaalsContact OG-CB 3.3Å; S199-Y202 WeakPolarHBondContact OG-CB 3.16Å; S199-Y202 PolarHBondContact OG-N 3Å; Y202-A204 VanDerWaalsContact C-N 3.34Å; Y202-A204 PolarHBondContact O-N 2.95Å; Y202-A205 PolarHBondContact O-N 3.4Å; Y202-V206 HydrophobicContact CD1-CG2 3.91Å; Y202-V206 HydrophobicContact CE1-CG2 3.5Å; Y202-V206 HydrophobicContact CE2-CG2 4.39Å; Y202-V206 WeakPolarHBondContact O-CG2 3.39Å; Y202-V206 PolarHBondContact O-N 3.4Å |
| 203 | T | 89.4 | Confident | 91.6 | Very high | 51 Ų | 51 | 71.1 Ų | 71.1 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 176.4 | -55.4 | 0 | 0 | 0 | 0 | 111 | S199 A205 V206 E207 | S199-T203 PolarHBondContact O-N 2.95Å; S199-T203 VanDerWaalsContact O-N 3.1Å; S199-T203 PolarHBondContact O-OG1 3.3Å; T203-A205 VanDerWaalsContact C-N 3.34Å; T203-A205 PolarHBondContact O-N 2.84Å; T203-V206 PolarHBondContact O-N 2.91Å; T203-E207 HydrophobicContact CG2-CG 4.49Å; T203-E207 WeakPolarHBondContact O-CB 3.35Å; T203-E207 WeakPolarHBondContact O-CG 3.49Å; T203-E207 PolarHBondContact O-N 3.05Å |
| 204 | A | 91.9 | Very high | 91.7 | Very high | 53 Ų | 53 | 75.2 Ų | 75.2 | 44% | 0.438 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S200 Y202 A208 | S200-A204 WeakPolarHBondContact O-CB 3.37Å; S200-A204 PolarHBondContact O-N 3.49Å; Y202-A204 VanDerWaalsContact C-N 3.34Å; Y202-A204 PolarHBondContact O-N 2.95Å; A204-A208 VanDerWaalsContact O-CB 3.29Å; A204-A208 WeakPolarHBondContact O-CB 3.37Å; A204-A208 PolarHBondContact O-N 2.92Å |
| 205 | A | 89.8 | Confident | 92 | Very high | 60 Ų | 60 | 78.7 Ų | 78.7 | 50% | 0.496 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q201 Y202 T203 K209 | Q201-A205 WeakPolarHBondContact O-CB 3.44Å; Q201-A205 PolarHBondContact O-N 3.48Å; Y202-A205 PolarHBondContact O-N 3.4Å; T203-A205 VanDerWaalsContact C-N 3.34Å; T203-A205 PolarHBondContact O-N 2.84Å; A205-K209 WeakPolarHBondContact O-CB 3.45Å; A205-K209 PolarHBondContact O-N 2.94Å |
| 206 | V | 88.1 | Confident | 92.3 | Very high | 38 Ų | 38 | 75.1 Ų | 75.1 | 23% | 0.23 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.9 | -44.5 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | Y202 T203 K209 Q210 | Y202-V206 HydrophobicContact CD1-CG2 3.91Å; Y202-V206 HydrophobicContact CE1-CG2 3.5Å; Y202-V206 HydrophobicContact CE2-CG2 4.39Å; Y202-V206 WeakPolarHBondContact O-CG2 3.39Å; Y202-V206 PolarHBondContact O-N 3.4Å; T203-V206 PolarHBondContact O-N 2.91Å; V206-K209 PolarHBondContact O-N 2.82Å; V206-Q210 WeakPolarHBondContact O-CG 3.48Å; V206-Q210 PolarHBondContact O-N 3.23Å |
| 207 | E | 89.9 | Confident | 92.6 | Very high | 112 Ų | 112 | 79.1 Ų | 79.1 | 52% | 0.523 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 175.7 | -73.3 | 174.5 | 176.5 | 0 | 0 | 111.1 | T203 K209 Q210 V211 | T203-E207 HydrophobicContact CG2-CG 4.49Å; T203-E207 WeakPolarHBondContact O-CB 3.35Å; T203-E207 WeakPolarHBondContact O-CG 3.49Å; T203-E207 PolarHBondContact O-N 3.05Å; E207-K209 VanDerWaalsContact C-N 3.29Å; E207-K209 PolarHBondContact O-N 2.89Å; E207-Q210 WeakPolarHBondContact O-CB 3.3Å; E207-Q210 PolarHBondContact O-N 2.68Å; E207-Q210 VanDerWaalsContact O-N 3.09Å; E207-V211 WeakPolarHBondContact O-CG2 3.4Å; E207-V211 PolarHBondContact O-N 2.91Å |
| 208 | A | 94.3 | Very high | 92.9 | Very high | 59 Ų | 59 | 83.9 Ų | 83.9 | 49% | 0.488 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A204 V211 A212 | A204-A208 VanDerWaalsContact O-CB 3.29Å; A204-A208 WeakPolarHBondContact O-CB 3.37Å; A204-A208 PolarHBondContact O-N 2.92Å; A208-V211 PolarHBondContact O-N 2.95Å; A208-A212 WeakPolarHBondContact O-CB 3.27Å; A208-A212 PolarHBondContact O-N 3.44Å |
| 209 | K | 92.1 | Very high | 93.2 | Very high | 138 Ų | 138 | 85 Ų | 85 | 60% | 0.6 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 175 | -175 | 177.7 | -178.3 | 177.2 | 0 | 111.9 | A205 V206 E207 A212 Q213 | A205-K209 WeakPolarHBondContact O-CB 3.45Å; A205-K209 PolarHBondContact O-N 2.94Å; V206-K209 PolarHBondContact O-N 2.82Å; E207-K209 VanDerWaalsContact C-N 3.29Å; E207-K209 PolarHBondContact O-N 2.89Å; K209-A212 PolarHBondContact O-N 2.88Å; K209-Q213 WeakPolarHBondContact O-CB 3.49Å; K209-Q213 VanDerWaalsContact O-CG 3.27Å; K209-Q213 WeakPolarHBondContact O-CG 3.44Å; K209-Q213 PolarHBondContact O-N 3.37Å |
| 210 | Q | 92.8 | Very high | 93.6 | Very high | 118 Ų | 118 | 88.9 Ų | 88.9 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.7 | -42.7 | 177 | -74.5 | -179.6 | 2.1 | 0 | 0 | 111.5 | V206 E207 Q213 Q214 | V206-Q210 WeakPolarHBondContact O-CG 3.48Å; V206-Q210 PolarHBondContact O-N 3.23Å; E207-Q210 WeakPolarHBondContact O-CB 3.3Å; E207-Q210 PolarHBondContact O-N 2.68Å; E207-Q210 VanDerWaalsContact O-N 3.09Å; Q210-Q213 PolarHBondContact O-N 2.83Å; Q210-Q214 WeakPolarHBondContact O-CB 3.43Å; Q210-Q214 PolarHBondContact O-N 3.27Å |
| 211 | V | 96.6 | Very high | 93.9 | Very high | 74 Ų | 74 | 91.4 Ų | 91.4 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | E207 A208 Q213 Q214 E215 | E207-V211 WeakPolarHBondContact O-CG2 3.4Å; E207-V211 PolarHBondContact O-N 2.91Å; A208-V211 PolarHBondContact O-N 2.95Å; V211-Q213 VanDerWaalsContact C-N 3.32Å; V211-Q213 PolarHBondContact O-N 3.15Å; V211-Q214 PolarHBondContact O-N 2.83Å; V211-Q214 VanDerWaalsContact O-N 3.13Å; V211-E215 HydrophobicContact CG1-CG 4.39Å; V211-E215 WeakPolarHBondContact O-CG 3.37Å; V211-E215 PolarHBondContact O-N 2.8Å |
| 212 | A | 95.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 92.8 Ų | 92.8 | 44% | 0.438 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A208 K209 E215 A216 | A208-A212 WeakPolarHBondContact O-CB 3.27Å; A208-A212 PolarHBondContact O-N 3.44Å; K209-A212 PolarHBondContact O-N 2.88Å; A212-E215 PolarHBondContact O-N 3.37Å; A212-A216 WeakPolarHBondContact O-CB 3.25Å; A212-A216 PolarHBondContact O-N 2.94Å |
| 213 | Q | 96.1 | Very high | 94.7 | Very high | 103 Ų | 103 | 94.4 Ų | 94.4 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 174.8 | -77.4 | -179.1 | -18.8 | 0 | 0 | 112 | K209 Q210 V211 A216 Q217 | K209-Q213 WeakPolarHBondContact O-CB 3.49Å; K209-Q213 VanDerWaalsContact O-CG 3.27Å; K209-Q213 WeakPolarHBondContact O-CG 3.44Å; K209-Q213 PolarHBondContact O-N 3.37Å; Q210-Q213 PolarHBondContact O-N 2.83Å; V211-Q213 VanDerWaalsContact C-N 3.32Å; V211-Q213 PolarHBondContact O-N 3.15Å; Q213-A216 PolarHBondContact O-N 2.65Å; Q213-Q217 WeakPolarHBondContact O-CG 3.46Å; Q213-Q217 PolarHBondContact O-N 3.46Å |
| 214 | Q | 96.4 | Very high | 95.1 | Very high | 96 Ų | 96 | 97.5 Ų | 97.5 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 177.2 | -169.9 | 177.2 | 18 | 0 | 0 | 111.5 | Q210 V211 Q217 R218 | Q210-Q214 WeakPolarHBondContact O-CB 3.43Å; Q210-Q214 PolarHBondContact O-N 3.27Å; V211-Q214 PolarHBondContact O-N 2.83Å; V211-Q214 VanDerWaalsContact O-N 3.13Å; Q214-Q217 PolarHBondContact O-N 3.41Å; Q214-R218 WeakPolarHBondContact O-CB 3.49Å; Q214-R218 VanDerWaalsContact O-CG 3.27Å; Q214-R218 WeakPolarHBondContact O-CG 3.48Å; Q214-R218 PolarHBondContact O-N 3.14Å |
| 215 | E | 96.6 | Very high | 95.4 | Very high | 120 Ų | 120 | 100.5 Ų | 100.5 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -43.6 | 174.6 | -74.6 | -178.9 | 172.6 | 0 | 0 | 111.8 | V211 A212 Q217 R218 A219 | V211-E215 HydrophobicContact CG1-CG 4.39Å; V211-E215 WeakPolarHBondContact O-CG 3.37Å; V211-E215 PolarHBondContact O-N 2.8Å; A212-E215 PolarHBondContact O-N 3.37Å; E215-Q217 PolarHBondContact O-N 2.85Å; E215-R218 PolarHBondContact O-N 3.37Å; E215-A219 WeakPolarHBondContact O-CB 3.25Å; E215-A219 PolarHBondContact O-N 2.79Å |
| 216 | A | 97.2 | Very high | 95.7 | Very high | 51 Ų | 51 | 99.9 Ų | 99.9 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A212 Q213 A219 Q220 | A212-A216 WeakPolarHBondContact O-CB 3.25Å; A212-A216 PolarHBondContact O-N 2.94Å; Q213-A216 PolarHBondContact O-N 2.65Å; A216-A219 PolarHBondContact O-N 3.21Å; A216-Q220 WeakPolarHBondContact O-CG 3.48Å; A216-Q220 PolarHBondContact O-N 3.44Å |
| 217 | Q | 97.4 | Very high | 96.2 | Very high | 130 Ų | 130 | 103.6 Ų | 103.6 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 175.2 | -74 | 176.1 | 1.8 | 0 | 0 | 111.9 | Q213 Q214 E215 Q220 F221 | Q213-Q217 WeakPolarHBondContact O-CG 3.46Å; Q213-Q217 PolarHBondContact O-N 3.46Å; Q214-Q217 PolarHBondContact O-N 3.41Å; E215-Q217 PolarHBondContact O-N 2.85Å; Q217-Q220 PolarHBondContact O-N 2.82Å; Q217-F221 PolarHBondContact O-N 3.44Å |
| 218 | R | 97 | Very high | 96.5 | Very high | 156 Ų | 156 | 103.4 Ų | 103.4 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 175.6 | -75.5 | 173.9 | -178.5 | -178.9 | 5.2 | 112 | Q214 E215 F221 Y222 | Q214-R218 WeakPolarHBondContact O-CB 3.49Å; Q214-R218 VanDerWaalsContact O-CG 3.27Å; Q214-R218 WeakPolarHBondContact O-CG 3.48Å; Q214-R218 PolarHBondContact O-N 3.14Å; E215-R218 PolarHBondContact O-N 3.37Å; R218-F221 PolarHBondContact O-N 3.34Å; R218-Y222 WeakPolarHBondContact O-CB 3.27Å; R218-Y222 PolarHBondContact O-N 3.49Å |
| 219 | A | 96.9 | Very high | 96.6 | Very high | 55 Ų | 55 | 103.9 Ų | 103.9 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E215 A216 Y222 V223 | E215-A219 WeakPolarHBondContact O-CB 3.25Å; E215-A219 PolarHBondContact O-N 2.79Å; A216-A219 PolarHBondContact O-N 3.21Å; A219-Y222 PolarHBondContact O-N 3.03Å; A219-V223 WeakPolarHBondContact O-CG2 3.46Å; A219-V223 PolarHBondContact O-N 3.31Å |
| 220 | Q | 97.6 | Very high | 96.9 | Very high | 127 Ų | 127 | 103 Ų | 103 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.6 | -47.8 | 173.5 | -72.6 | 175.1 | 5.1 | 0 | 0 | 111.4 | A216 Q217 Y222 V223 E224 | A216-Q220 WeakPolarHBondContact O-CG 3.48Å; A216-Q220 PolarHBondContact O-N 3.44Å; Q217-Q220 PolarHBondContact O-N 2.82Å; Q220-Y222 VanDerWaalsContact C-N 3.29Å; Q220-Y222 PolarHBondContact O-N 2.81Å; Q220-V223 PolarHBondContact O-N 2.94Å; Q220-E224 WeakPolarHBondContact O-CG 3.46Å; Q220-E224 PolarHBondContact O-N 2.98Å |
| 221 | F | 97.6 | Very high | 97.1 | Very high | 142 Ų | 142 | 104.1 Ų | 104.1 | 62% | 0.623 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -37.9 | 176.9 | -174.9 | -100.1 | 0 | 0 | 0 | 112.5 | Q217 R218 E224 K225 | Q217-F221 PolarHBondContact O-N 3.44Å; R218-F221 PolarHBondContact O-N 3.34Å; F221-E224 PolarHBondContact O-N 2.91Å; F221-K225 WeakPolarHBondContact O-CB 3.33Å; F221-K225 PolarHBondContact O-N 2.68Å |
| 222 | Y | 97.4 | Very high | 97.1 | Very high | 172 Ų | 172 | 107 Ų | 107 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 176.2 | -172.9 | -95.6 | 0 | 0 | 0 | 112 | R218 A219 Q220 K225 A226 | R218-Y222 WeakPolarHBondContact O-CB 3.27Å; R218-Y222 PolarHBondContact O-N 3.49Å; A219-Y222 PolarHBondContact O-N 3.03Å; Q220-Y222 VanDerWaalsContact C-N 3.29Å; Q220-Y222 PolarHBondContact O-N 2.81Å; Y222-K225 PolarHBondContact O-N 3.49Å; Y222-A226 WeakPolarHBondContact O-CB 3.25Å; Y222-A226 PolarHBondContact O-N 2.92Å |
| 223 | V | 97.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 111.9 Ų | 111.9 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | A219 Q220 A226 K227 | A219-V223 WeakPolarHBondContact O-CG2 3.46Å; A219-V223 PolarHBondContact O-N 3.31Å; Q220-V223 PolarHBondContact O-N 2.94Å; V223-A226 PolarHBondContact O-N 2.8Å; V223-K227 HydrophobicContact CG1-CD 4.39Å; V223-K227 WeakPolarHBondContact O-CG 3.22Å; V223-K227 PolarHBondContact O-N 3.48Å |
| 224 | E | 97.6 | Very high | 97.2 | Very high | 117 Ų | 117 | 110.9 Ų | 110.9 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 175.3 | -74.3 | -180 | -176.8 | 0 | 0 | 111.5 | Q220 F221 A226 K227 Q228 | Q220-E224 WeakPolarHBondContact O-CG 3.46Å; Q220-E224 PolarHBondContact O-N 2.98Å; F221-E224 PolarHBondContact O-N 2.91Å; E224-A226 VanDerWaalsContact C-N 3.35Å; E224-A226 PolarHBondContact O-N 2.94Å; E224-K227 WeakPolarHBondContact O-CB 3.21Å; E224-K227 PolarHBondContact O-N 2.95Å; E224-Q228 WeakPolarHBondContact O-CG 3.39Å; E224-Q228 PolarHBondContact O-N 2.98Å |
| 225 | K | 97.9 | Very high | 97.3 | Very high | 115 Ų | 115 | 111.7 Ų | 111.7 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 175 | -174.2 | 179.1 | 178.9 | -179.1 | 0 | 111.5 | F221 Y222 K227 Q228 D229 | F221-K225 WeakPolarHBondContact O-CB 3.33Å; F221-K225 PolarHBondContact O-N 2.68Å; Y222-K225 PolarHBondContact O-N 3.49Å; K225-K227 VanDerWaalsContact C-N 3.3Å; K225-K227 PolarHBondContact O-N 3.28Å; K225-Q228 PolarHBondContact O-N 2.82Å; K225-Q228 VanDerWaalsContact O-N 3.12Å; K225-D229 WeakPolarHBondContact O-CB 3.05Å; K225-D229 VanDerWaalsContact O-CG 3.29Å; K225-D229 PolarHBondContact O-N 2.97Å |
| 226 | A | 97 | Very high | 97.3 | Very high | 48 Ų | 48 | 111.3 Ų | 111.3 | 40% | 0.397 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y222 V223 E224 Q230 | Y222-A226 WeakPolarHBondContact O-CB 3.25Å; Y222-A226 PolarHBondContact O-N 2.92Å; V223-A226 PolarHBondContact O-N 2.8Å; E224-A226 VanDerWaalsContact C-N 3.35Å; E224-A226 PolarHBondContact O-N 2.94Å; A226-Q230 WeakPolarHBondContact O-CB 3.35Å; A226-Q230 PolarHBondContact O-N 2.89Å |
| 227 | K | 97.9 | Very high | 97.2 | Very high | 115 Ų | 115 | 111.4 Ų | 111.4 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 173.7 | -75.9 | 174.7 | 178.5 | 177.7 | 0 | 112.1 | V223 E224 K225 Q230 R231 | V223-K227 HydrophobicContact CG1-CD 4.39Å; V223-K227 WeakPolarHBondContact O-CG 3.22Å; V223-K227 PolarHBondContact O-N 3.48Å; E224-K227 WeakPolarHBondContact O-CB 3.21Å; E224-K227 PolarHBondContact O-N 2.95Å; K225-K227 VanDerWaalsContact C-N 3.3Å; K225-K227 PolarHBondContact O-N 3.28Å; K227-Q230 PolarHBondContact O-N 3.25Å; K227-R231 VanDerWaalsContact O-CG 3.31Å; K227-R231 WeakPolarHBondContact O-CG 3.44Å; K227-R231 PolarHBondContact O-N 3.16Å |
| 228 | Q | 97.3 | Very high | 97.2 | Very high | 109 Ų | 109 | 111 Ų | 111 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 176.6 | -63 | -61.2 | -7.1 | 0 | 0 | 111.2 | E224 K225 Q230 R231 Q232 | E224-Q228 WeakPolarHBondContact O-CG 3.39Å; E224-Q228 PolarHBondContact O-N 2.98Å; K225-Q228 PolarHBondContact O-N 2.82Å; K225-Q228 VanDerWaalsContact O-N 3.12Å; Q228-Q230 VanDerWaalsContact C-N 3.29Å; Q228-Q230 PolarHBondContact O-N 3.03Å; Q228-R231 PolarHBondContact O-N 3.32Å; Q228-Q232 WeakPolarHBondContact O-CB 3.44Å; Q228-Q232 PolarHBondContact O-N 2.87Å |
| 229 | D | 96.9 | Very high | 97.1 | Very high | 68 Ų | 68 | 105.4 Ų | 105.4 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 176.6 | -68.9 | -11.7 | 0 | 0 | 0 | 111.3 | K225 Q232 K233 | K225-D229 WeakPolarHBondContact O-CB 3.05Å; K225-D229 VanDerWaalsContact O-CG 3.29Å; K225-D229 PolarHBondContact O-N 2.97Å; D229-Q232 PolarHBondContact O-N 2.85Å; D229-K233 WeakPolarHBondContact O-CG 2.89Å; D229-K233 PolarHBondContact O-N 3.34Å |
| 230 | Q | 97 | Very high | 97 | Very high | 119 Ų | 119 | 108.2 Ų | 108.2 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -48.1 | 174.5 | -175.7 | -176 | 19.4 | 0 | 0 | 111.6 | A226 K227 Q228 Q232 K233 I234 | A226-Q230 WeakPolarHBondContact O-CB 3.35Å; A226-Q230 PolarHBondContact O-N 2.89Å; K227-Q230 PolarHBondContact O-N 3.25Å; Q228-Q230 VanDerWaalsContact C-N 3.29Å; Q228-Q230 PolarHBondContact O-N 3.03Å; Q230-Q232 VanDerWaalsContact C-N 3.3Å; Q230-Q232 PolarHBondContact O-N 3.11Å; Q230-K233 PolarHBondContact O-N 3.09Å; Q230-I234 HydrophobicContact CG-CD1 4.1Å; Q230-I234 WeakPolarHBondContact O-CG1 3.23Å; Q230-I234 PolarHBondContact O-N 3.22Å |
| 231 | R | 96.9 | Very high | 96.9 | Very high | 142 Ų | 142 | 104.6 Ų | 104.6 | 54% | 0.536 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 177.1 | -73.7 | 172.4 | -178.9 | -179.9 | -1.7 | 111.3 | K227 Q228 K233 I234 I235 | K227-R231 VanDerWaalsContact O-CG 3.31Å; K227-R231 WeakPolarHBondContact O-CG 3.44Å; K227-R231 PolarHBondContact O-N 3.16Å; Q228-R231 PolarHBondContact O-N 3.32Å; R231-K233 VanDerWaalsContact C-N 3.32Å; R231-K233 PolarHBondContact O-N 3.15Å; R231-I234 PolarHBondContact O-N 2.85Å; R231-I235 WeakPolarHBondContact O-CB 3.41Å; R231-I235 VanDerWaalsContact O-CG1 3.29Å; R231-I235 WeakPolarHBondContact O-CG1 3.31Å; R231-I235 PolarHBondContact O-N 3.35Å |
| 232 | Q | 97.3 | Very high | 96.7 | Very high | 134 Ų | 134 | 103.7 Ų | 103.7 | 63% | 0.626 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 176 | -175.6 | 178.6 | -15.3 | 0 | 0 | 111.4 | Q228 D229 Q230 Q236 | Q228-Q232 WeakPolarHBondContact O-CB 3.44Å; Q228-Q232 PolarHBondContact O-N 2.87Å; D229-Q232 PolarHBondContact O-N 2.85Å; Q230-Q232 VanDerWaalsContact C-N 3.3Å; Q230-Q232 PolarHBondContact O-N 3.11Å; Q232-Q236 VanDerWaalsContact O-CB 3.24Å; Q232-Q236 WeakPolarHBondContact O-CB 3.34Å; Q232-Q236 PolarHBondContact O-N 3.33Å |
| 233 | K | 96.9 | Very high | 96.5 | Very high | 157 Ų | 157 | 98 Ų | 98 | 68% | 0.683 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.3 | -39.7 | 176.5 | -73.6 | 174.9 | -177.3 | 179.3 | 0 | 113.1 | D229 Q230 R231 Q236 A237 | D229-K233 WeakPolarHBondContact O-CG 2.89Å; D229-K233 PolarHBondContact O-N 3.34Å; Q230-K233 PolarHBondContact O-N 3.09Å; R231-K233 VanDerWaalsContact C-N 3.32Å; R231-K233 PolarHBondContact O-N 3.15Å; K233-Q236 PolarHBondContact O-N 3.37Å; K233-A237 VanDerWaalsContact O-CB 3.32Å; K233-A237 WeakPolarHBondContact O-CB 3.31Å; K233-A237 PolarHBondContact O-N 3.35Å |
| 234 | I | 97.6 | Very high | 96 | Very high | 81 Ų | 81 | 97.4 Ų | 97.4 | 42% | 0.415 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -50.6 | 176.9 | -67.4 | 166.9 | 0 | 0 | 0 | 109.8 | Q230 R231 Q236 A237 E238 | Q230-I234 HydrophobicContact CG-CD1 4.1Å; Q230-I234 WeakPolarHBondContact O-CG1 3.23Å; Q230-I234 PolarHBondContact O-N 3.22Å; R231-I234 PolarHBondContact O-N 2.85Å; I234-Q236 VanDerWaalsContact C-N 3.29Å; I234-Q236 PolarHBondContact O-N 2.98Å; I234-A237 PolarHBondContact O-N 3.44Å; I234-A237 VanDerWaalsContact O-N 3.17Å; I234-E238 HydrophobicContact CG2-CG 4.36Å; I234-E238 WeakPolarHBondContact O-CB 3.14Å; I234-E238 WeakPolarHBondContact O-CG 3.4Å; I234-E238 PolarHBondContact O-N 3.32Å |
| 235 | I | 97.4 | Very high | 95.8 | Very high | 114 Ų | 114 | 99 Ų | 99 | 59% | 0.585 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.9 | -41.5 | 178.7 | -67 | 166.6 | 0 | 0 | 0 | 110.6 | R231 G239 | R231-I235 WeakPolarHBondContact O-CB 3.41Å; R231-I235 VanDerWaalsContact O-CG1 3.29Å; R231-I235 WeakPolarHBondContact O-CG1 3.31Å; R231-I235 PolarHBondContact O-N 3.35Å; I235-G239 PolarHBondContact O-N 3.12Å |
| 236 | Q | 96.4 | Very high | 95.3 | Very high | 111 Ų | 111 | 98.9 Ų | 98.9 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 176.2 | -176.7 | 65.2 | 29.3 | 0 | 0 | 111.7 | Q232 K233 I234 G239 E240 | Q232-Q236 VanDerWaalsContact O-CB 3.24Å; Q232-Q236 WeakPolarHBondContact O-CB 3.34Å; Q232-Q236 PolarHBondContact O-N 3.33Å; K233-Q236 PolarHBondContact O-N 3.37Å; I234-Q236 VanDerWaalsContact C-N 3.29Å; I234-Q236 PolarHBondContact O-N 2.98Å; Q236-G239 PolarHBondContact O-N 3.28Å; Q236-E240 PolarHBondContact NE2-OE1 2.92Å; Q236-E240 WeakPolarHBondContact O-CB 2.97Å; Q236-E240 WeakPolarHBondContact O-CG 3.43Å; Q236-E240 PolarHBondContact O-N 3.29Å |
| 237 | A | 95.9 | Very high | 94.7 | Very high | 54 Ų | 54 | 99.2 Ų | 99.2 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K233 I234 E240 A241 | K233-A237 VanDerWaalsContact O-CB 3.32Å; K233-A237 WeakPolarHBondContact O-CB 3.31Å; K233-A237 PolarHBondContact O-N 3.35Å; I234-A237 PolarHBondContact O-N 3.44Å; I234-A237 VanDerWaalsContact O-N 3.17Å; A237-E240 PolarHBondContact O-N 3.13Å; A237-A241 VanDerWaalsContact O-CB 3.27Å; A237-A241 WeakPolarHBondContact O-CB 3.41Å; A237-A241 PolarHBondContact O-N 2.83Å |
| 238 | E | 96.4 | Very high | 94 | Very high | 120 Ų | 120 | 95.2 Ų | 95.2 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.5 | -46.8 | 173.1 | -75 | 177.1 | 173.1 | 0 | 0 | 111 | I234 E240 A241 E242 | I234-E238 HydrophobicContact CG2-CG 4.36Å; I234-E238 WeakPolarHBondContact O-CB 3.14Å; I234-E238 WeakPolarHBondContact O-CG 3.4Å; I234-E238 PolarHBondContact O-N 3.32Å; E238-E240 VanDerWaalsContact C-N 3.32Å; E238-E240 PolarHBondContact O-N 2.94Å; E238-A241 PolarHBondContact O-N 3.44Å; E238-E242 WeakPolarHBondContact O-CB 3.27Å; E238-E242 PolarHBondContact O-N 3.43Å |
| 239 | G | 96.7 | Very high | 93.4 | Very high | 39 Ų | 39 | 96 Ų | 96 | 40% | 0.402 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I235 Q236 A243 | I235-G239 PolarHBondContact O-N 3.12Å; Q236-G239 PolarHBondContact O-N 3.28Å; G239-A243 WeakPolarHBondContact O-CB 3.39Å; G239-A243 PolarHBondContact O-N 2.89Å |
| 240 | E | 93.8 | Very high | 92.6 | Very high | 115 Ų | 115 | 95.1 Ų | 95.1 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 174.5 | -77.2 | 176.1 | -163.6 | 0 | 0 | 112.5 | Q236 A237 E238 A243 A244 | Q236-E240 PolarHBondContact NE2-OE1 2.92Å; Q236-E240 WeakPolarHBondContact O-CB 2.97Å; Q236-E240 WeakPolarHBondContact O-CG 3.43Å; Q236-E240 PolarHBondContact O-N 3.29Å; A237-E240 PolarHBondContact O-N 3.13Å; E238-E240 VanDerWaalsContact C-N 3.32Å; E238-E240 PolarHBondContact O-N 2.94Å; E240-A243 PolarHBondContact O-N 2.93Å; E240-A244 WeakPolarHBondContact O-CB 3.36Å; E240-A244 PolarHBondContact O-N 2.73Å |
| 241 | A | 94.8 | Very high | 91.8 | Very high | 50 Ų | 50 | 90.5 Ų | 90.5 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A237 E238 A244 K245 | A237-A241 VanDerWaalsContact O-CB 3.27Å; A237-A241 WeakPolarHBondContact O-CB 3.41Å; A237-A241 PolarHBondContact O-N 2.83Å; E238-A241 PolarHBondContact O-N 3.44Å; A241-A244 PolarHBondContact O-N 3.32Å; A241-K245 WeakPolarHBondContact O-CG 3.3Å; A241-K245 PolarHBondContact O-N 3.38Å |
| 242 | E | 95.1 | Very high | 90.8 | Very high | 124 Ų | 124 | 89.6 Ų | 89.6 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.1 | -43.9 | 176.2 | -163.4 | 176.2 | -176.5 | 0 | 0 | 111.3 | E238 A244 K245 M246 | E238-E242 WeakPolarHBondContact O-CB 3.27Å; E238-E242 PolarHBondContact O-N 3.43Å; E242-A244 VanDerWaalsContact C-N 3.32Å; E242-A244 PolarHBondContact O-N 3.18Å; E242-K245 PolarHBondContact O-N 3.47Å; E242-M246 HydrophobicContact CG-CE 4.13Å; E242-M246 PolarHBondContact O-N 2.85Å |
| 243 | A | 91.6 | Very high | 90.1 | Very high | 51 Ų | 51 | 91.7 Ų | 91.7 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | G239 E240 M246 L247 | G239-A243 WeakPolarHBondContact O-CB 3.39Å; G239-A243 PolarHBondContact O-N 2.89Å; E240-A243 PolarHBondContact O-N 2.93Å; A243-M246 PolarHBondContact O-N 2.97Å; A243-L247 WeakPolarHBondContact O-CB 3.36Å; A243-L247 PolarHBondContact O-N 3.47Å |
| 244 | A | 88.3 | Confident | 89.2 | Confident | 62 Ų | 62 | 88.7 Ų | 88.7 | 51% | 0.512 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E240 A241 E242 G248 | E240-A244 WeakPolarHBondContact O-CB 3.36Å; E240-A244 PolarHBondContact O-N 2.73Å; A241-A244 PolarHBondContact O-N 3.32Å; E242-A244 VanDerWaalsContact C-N 3.32Å; E242-A244 PolarHBondContact O-N 3.18Å; A244-G248 PolarHBondContact O-N 2.81Å |
| 245 | K | 92 | Very high | 88 | Confident | 150 Ų | 150 | 87.9 Ų | 87.9 | 65% | 0.652 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.1 | -49.3 | 173.3 | -76.6 | 175.3 | -177.2 | 176.7 | 0 | 111.6 | A241 E242 L247 G248 Q249 | A241-K245 WeakPolarHBondContact O-CG 3.3Å; A241-K245 PolarHBondContact O-N 3.38Å; E242-K245 PolarHBondContact O-N 3.47Å; K245-L247 VanDerWaalsContact C-N 3.33Å; K245-L247 PolarHBondContact O-N 3.42Å; K245-G248 PolarHBondContact O-N 2.92Å; K245-Q249 WeakPolarHBondContact O-CG 3.4Å; K245-Q249 PolarHBondContact O-N 2.94Å |
| 246 | M | 87.4 | Confident | 87 | Confident | 113 Ų | 113 | 83.6 Ų | 83.6 | 56% | 0.557 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 176.8 | -76.7 | -165.3 | -88.2 | 0 | 0 | 111.5 | E242 A243 Q249 A250 | E242-M246 HydrophobicContact CG-CE 4.13Å; E242-M246 PolarHBondContact O-N 2.85Å; A243-M246 PolarHBondContact O-N 2.97Å; M246-Q249 PolarHBondContact O-N 3.11Å; M246-A250 WeakPolarHBondContact O-CB 3.24Å; M246-A250 PolarHBondContact O-N 2.9Å |
| 247 | L | 84.3 | Confident | 86.1 | Confident | 56 Ų | 56 | 83.3 Ų | 83.3 | 29% | 0.293 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 178.3 | -172.8 | 129 | 0 | 0 | 0 | 112 | A243 K245 A250 V251 Y257 R261 | A243-L247 WeakPolarHBondContact O-CB 3.36Å; A243-L247 PolarHBondContact O-N 3.47Å; K245-L247 VanDerWaalsContact C-N 3.33Å; K245-L247 PolarHBondContact O-N 3.42Å; L247-A250 PolarHBondContact O-N 3.22Å; L247-V251 HydrophobicContact CD2-CG2 4.12Å; L247-V251 HydrophobicContact CG-CG2 4.49Å; L247-V251 WeakPolarHBondContact O-CB 3.45Å; L247-V251 VanDerWaalsContact O-CG2 3.24Å; L247-V251 WeakPolarHBondContact O-CG2 3.4Å; L247-V251 PolarHBondContact O-N 2.77Å; L247-Y257 HydrophobicContact CD1-CE1 4.24Å; L247-Y257 HydrophobicContact CG-CE1 4.5Å; L247-R261 VanDerWaalsContact CD1-NH1 3.34Å |
| 248 | G | 84.3 | Confident | 85.3 | Confident | 30 Ų | 30 | 85.4 Ų | 85.4 | 31% | 0.309 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A244 K245 A250 V251 T252 | A244-G248 PolarHBondContact O-N 2.81Å; K245-G248 PolarHBondContact O-N 2.92Å; G248-A250 VanDerWaalsContact C-N 3.35Å; G248-A250 PolarHBondContact O-N 2.94Å; G248-V251 WeakPolarHBondContact O-CB 3.29Å; G248-V251 PolarHBondContact O-N 3.02Å; G248-T252 PolarHBondContact O-N 3.4Å; G248-T252 PolarHBondContact O-OG1 2.75Å |
| 249 | Q | 84.6 | Confident | 84.2 | Confident | 125 Ų | 125 | 81.9 Ų | 81.9 | 58% | 0.584 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61 | -41.5 | 174.2 | -69.4 | 176.4 | 1.8 | 0 | 0 | 112.3 | K245 M246 T252 K253 | K245-Q249 WeakPolarHBondContact O-CG 3.4Å; K245-Q249 PolarHBondContact O-N 2.94Å; M246-Q249 PolarHBondContact O-N 3.11Å; Q249-T252 PolarHBondContact O-N 2.82Å; Q249-K253 WeakPolarHBondContact O-CG 3.29Å; Q249-K253 PolarHBondContact O-N 3.14Å |
| 250 | A | 80.4 | Confident | 83.5 | Confident | 51 Ų | 51 | 85 Ų | 85 | 42% | 0.421 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M246 L247 G248 K253 N254 | M246-A250 WeakPolarHBondContact O-CB 3.24Å; M246-A250 PolarHBondContact O-N 2.9Å; L247-A250 PolarHBondContact O-N 3.22Å; G248-A250 VanDerWaalsContact C-N 3.35Å; G248-A250 PolarHBondContact O-N 2.94Å; A250-K253 PolarHBondContact O-N 3.12Å; A250-N254 PolarHBondContact O-N 2.94Å; A250-N254 VanDerWaalsContact O-N 3.15Å |
| 251 | V | 79.8 | Confident | 82.9 | Confident | 22 Ų | 22 | 85.7 Ų | 85.7 | 13% | 0.133 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 175.9 | 159.7 | 0 | 0 | 0 | 0 | 111.7 | L247 G248 K253 N254 Y257 L258 | L247-V251 HydrophobicContact CD2-CG2 4.12Å; L247-V251 HydrophobicContact CG-CG2 4.49Å; L247-V251 WeakPolarHBondContact O-CB 3.45Å; L247-V251 VanDerWaalsContact O-CG2 3.24Å; L247-V251 WeakPolarHBondContact O-CG2 3.4Å; L247-V251 PolarHBondContact O-N 2.77Å; G248-V251 WeakPolarHBondContact O-CB 3.29Å; G248-V251 PolarHBondContact O-N 3.02Å; V251-K253 PolarHBondContact O-N 3.04Å; V251-N254 CarbonylContact O-C 3.56Å; V251-N254 PolarHBondContact O-N 2.82Å; V251-Y257 HydrophobicContact CG2-CD1 3.74Å; V251-Y257 HydrophobicContact CG2-CE1 4.29Å; V251-L258 HydrophobicContact CB-CG 4.43Å; V251-L258 HydrophobicContact CG1-CD1 3.42Å; V251-L258 VanDerWaalsContact CG1-CD1 3.42Å; V251-L258 HydrophobicContact CG1-CD2 3.82Å; V251-L258 HydrophobicContact CG1-CG 3.47Å; V251-L258 VanDerWaalsContact CG1-CG 3.47Å; V251-L258 HydrophobicContact CG2-CD2 3.91Å; V251-L258 HydrophobicContact CG2-CG 4.12Å |
| 252 | T | 76.4 | Confident | 82.2 | Confident | 122 Ų | 122 | 88 Ų | 88 | 75% | 0.748 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.7 | -35.3 | 177 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | G248 Q249 | G248-T252 PolarHBondContact O-N 3.4Å; G248-T252 PolarHBondContact O-OG1 2.75Å; Q249-T252 PolarHBondContact O-N 2.82Å |
| 253 | K | 80.9 | Confident | 81.7 | Confident | 178 Ų | 178 | 85.3 Ų | 85.3 | 77% | 0.774 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.3 | -30 | 176.6 | -72.2 | 176.5 | -177.6 | -178.5 | 0 | 113.5 | Q249 A250 V251 | Q249-K253 WeakPolarHBondContact O-CG 3.29Å; Q249-K253 PolarHBondContact O-N 3.14Å; A250-K253 PolarHBondContact O-N 3.12Å; V251-K253 PolarHBondContact O-N 3.04Å |
| 254 | N | 79.4 | Confident | 81.4 | Confident | 94 Ų | 94 | 91.1 Ų | 91.1 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | trans | -137.5 | 96.8 | -179.6 | -170.1 | -20.5 | 0 | 0 | 0 | 112.2 | A250 V251 G256 Y257 | A250-N254 PolarHBondContact O-N 2.94Å; A250-N254 VanDerWaalsContact O-N 3.15Å; V251-N254 CarbonylContact O-C 3.56Å; V251-N254 PolarHBondContact O-N 2.82Å; N254-G256 PolarHBondContact O-N 2.99Å; N254-G256 VanDerWaalsContact O-N 3.1Å; N254-G256 WeakPolarHBondContact OD1-CA 3.11Å; N254-G256 PolarHBondContact OD1-N 2.93Å; N254-Y257 WeakPolarHBondContact O-CB 3.48Å; N254-Y257 PolarHBondContact O-N 2.84Å | ||
| 255 | P | 72.1 | Confident | 81.4 | Confident | 65 Ų | 65 | 90.3 Ų | 90.3 | 42% | 0.422 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.4 | -16.2 | 179.5 | 25.4 | -33.4 | 0 | 0 | 0 | 113.6 | Y257 F300 | P255-Y257 VanDerWaalsContact C-N 3.28Å; P255-Y257 PolarHBondContact O-N 2.86Å; P255-F300 HydrophobicContact CB-CE1 4.45Å |
| 256 | G | 76.8 | Confident | 81.1 | Confident | 24 Ų | 24 | 83.6 Ų | 83.6 | 25% | 0.247 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -68.4 | -23.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N254 K259 L260 | N254-G256 PolarHBondContact O-N 2.99Å; N254-G256 VanDerWaalsContact O-N 3.1Å; N254-G256 WeakPolarHBondContact OD1-CA 3.11Å; N254-G256 PolarHBondContact OD1-N 2.93Å; G256-K259 WeakPolarHBondContact O-CB 3.32Å; G256-K259 PolarHBondContact O-N 3.29Å; G256-L260 PolarHBondContact O-N 3.28Å |
| 257 | Y | 76.9 | Confident | 81.1 | Confident | 105 Ų | 105 | 84 Ų | 84 | 41% | 0.412 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69 | -39.7 | -177.8 | -174.4 | -98.5 | 0 | 0 | 0 | 112.8 | L247 V251 N254 P255 K259 L260 R261 | L247-Y257 HydrophobicContact CD1-CE1 4.24Å; L247-Y257 HydrophobicContact CG-CE1 4.5Å; V251-Y257 HydrophobicContact CG2-CD1 3.74Å; V251-Y257 HydrophobicContact CG2-CE1 4.29Å; N254-Y257 WeakPolarHBondContact O-CB 3.48Å; N254-Y257 PolarHBondContact O-N 2.84Å; P255-Y257 VanDerWaalsContact C-N 3.28Å; P255-Y257 PolarHBondContact O-N 2.86Å; Y257-K259 VanDerWaalsContact C-N 3.29Å; Y257-K259 PolarHBondContact O-N 2.94Å; Y257-L260 PolarHBondContact O-N 2.72Å; Y257-R261 WeakPolarHBondContact O-CB 3.31Å; Y257-R261 PolarHBondContact O-N 2.83Å |
| 258 | L | 78.3 | Confident | 81.2 | Confident | 98 Ų | 98 | 86.4 Ų | 86.4 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 174.4 | -73.8 | 174.4 | 0 | 0 | 0 | 112.1 | V251 R261 R262 | V251-L258 HydrophobicContact CB-CG 4.43Å; V251-L258 HydrophobicContact CG1-CD1 3.42Å; V251-L258 VanDerWaalsContact CG1-CD1 3.42Å; V251-L258 HydrophobicContact CG1-CD2 3.82Å; V251-L258 HydrophobicContact CG1-CG 3.47Å; V251-L258 VanDerWaalsContact CG1-CG 3.47Å; V251-L258 HydrophobicContact CG2-CD2 3.91Å; V251-L258 HydrophobicContact CG2-CG 4.12Å; L258-R261 PolarHBondContact O-N 3.4Å; L258-R262 WeakPolarHBondContact O-CB 3.45Å; L258-R262 PolarHBondContact O-N 3.49Å |
| 259 | K | 75.2 | Confident | 81.3 | Confident | 45 Ų | 45 | 87.8 Ų | 87.8 | 20% | 0.196 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -62.6 | -51.1 | 176.6 | -56.8 | -175 | 113.5 | 153.2 | 0 | 111 | G256 Y257 R261 R262 I263 F296 F300 | G256-K259 WeakPolarHBondContact O-CB 3.32Å; G256-K259 PolarHBondContact O-N 3.29Å; Y257-K259 VanDerWaalsContact C-N 3.29Å; Y257-K259 PolarHBondContact O-N 2.94Å; K259-R261 VanDerWaalsContact C-N 3.29Å; K259-R261 PolarHBondContact O-N 3.47Å; K259-R262 PolarHBondContact O-N 2.82Å; K259-I263 WeakPolarHBondContact O-CG1 3.33Å; K259-I263 PolarHBondContact O-N 3Å; K259-F296 HydrophobicContact CB-CE2 4.3Å; K259-F296 HydrophobicContact CB-CZ 3.78Å; K259-F296 HydrophobicContact CD-CE1 4.43Å; K259-F296 HydrophobicContact CD-CE2 4.47Å; K259-F296 HydrophobicContact CD-CZ 3.84Å; K259-F296 HydrophobicContact CG-CE1 4.49Å; K259-F296 HydrophobicContact CG-CE2 3.79Å; K259-F296 HydrophobicContact CG-CZ 3.47Å; K259-F296 VanDerWaalsContact CG-CZ 3.47Å; K259-F300 HydrophobicContact CD-CD1 4.36Å; K259-F300 HydrophobicContact CD-CE1 3.4Å; K259-F300 HydrophobicContact CD-CE2 3.89Å; K259-F300 HydrophobicContact CD-CZ 3.15Å; K259-F300 VanDerWaalsContact CE-CE1 3.42Å; K259-F300 HydrophobicContact CG-CE1 4.11Å; K259-F300 HydrophobicContact CG-CE2 4.28Å; K259-F300 HydrophobicContact CG-CZ 3.49Å; K259-F300 VanDerWaalsContact CG-CZ 3.49Å |
| 260 | L | 81.5 | Confident | 81.3 | Confident | 105 Ų | 105 | 84 Ų | 84 | 55% | 0.55 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 178 | -78 | 163.1 | 0 | 0 | 0 | 111.7 | G256 Y257 I263 R264 | G256-L260 PolarHBondContact O-N 3.28Å; Y257-L260 PolarHBondContact O-N 2.72Å; L260-I263 PolarHBondContact O-N 3.01Å; L260-R264 WeakPolarHBondContact O-CG 3.3Å; L260-R264 PolarHBondContact O-N 3.09Å |
| 261 | R | 81 | Confident | 81.6 | Confident | 129 Ų | 129 | 89.1 Ų | 89.1 | 49% | 0.487 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 178.2 | -161.8 | 171.1 | -176.6 | -178 | 1.8 | 112.3 | L247 Y257 L258 K259 R264 A265 | L247-R261 VanDerWaalsContact CD1-NH1 3.34Å; Y257-R261 WeakPolarHBondContact O-CB 3.31Å; Y257-R261 PolarHBondContact O-N 2.83Å; L258-R261 PolarHBondContact O-N 3.4Å; K259-R261 VanDerWaalsContact C-N 3.29Å; K259-R261 PolarHBondContact O-N 3.47Å; R261-R264 PolarHBondContact O-N 3.36Å; R261-A265 WeakPolarHBondContact O-CB 3.29Å; R261-A265 PolarHBondContact O-N 2.68Å |
| 262 | R | 80.3 | Confident | 81.9 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 173.8 | -169.3 | 173.7 | 179.1 | 158.8 | -3.5 | 111.7 | L258 K259 A265 A266 V288 | L258-R262 WeakPolarHBondContact O-CB 3.45Å; L258-R262 PolarHBondContact O-N 3.49Å; K259-R262 PolarHBondContact O-N 2.82Å; R262-A265 PolarHBondContact O-N 2.96Å; R262-A266 WeakPolarHBondContact O-CB 3.33Å; R262-A266 PolarHBondContact O-N 2.75Å; R262-V288 HydrophobicContact CG-CG1 4.2Å; R262-V288 VanDerWaalsContact NE-CG1 3.32Å |
| 263 | I | 84.5 | Confident | 82.2 | Confident | 67 Ų | 67 | 90.4 Ų | 90.4 | 34% | 0.344 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 174.9 | -66.1 | 166.1 | 0 | 0 | 0 | 110.8 | K259 L260 A266 Q267 L291 | K259-I263 WeakPolarHBondContact O-CG1 3.33Å; K259-I263 PolarHBondContact O-N 3Å; L260-I263 PolarHBondContact O-N 3.01Å; I263-A266 PolarHBondContact O-N 2.91Å; I263-Q267 WeakPolarHBondContact O-CG 3.31Å; I263-Q267 PolarHBondContact O-N 2.8Å; I263-L291 HydrophobicContact CG1-CD1 4.34Å; I263-L291 HydrophobicContact CG1-CD2 4.24Å |
| 264 | R | 85.3 | Confident | 82.3 | Confident | 174 Ų | 174 | 87 Ų | 87 | 66% | 0.657 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 176.8 | -74.7 | -171.1 | -178.6 | 176.6 | 1.4 | 112.7 | L260 R261 Q267 N268 | L260-R264 WeakPolarHBondContact O-CG 3.3Å; L260-R264 PolarHBondContact O-N 3.09Å; R261-R264 PolarHBondContact O-N 3.36Å; R264-Q267 PolarHBondContact O-N 3.38Å; R264-N268 WeakPolarHBondContact O-CB 3.4Å; R264-N268 VanDerWaalsContact O-CG 3.31Å; R264-N268 PolarHBondContact O-N 3.5Å |
| 265 | A | 87.4 | Confident | 82.5 | Confident | 45 Ų | 45 | 86.5 Ų | 86.5 | 37% | 0.372 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | R261 R262 Q267 N268 I269 | R261-A265 WeakPolarHBondContact O-CB 3.29Å; R261-A265 PolarHBondContact O-N 2.68Å; R262-A265 PolarHBondContact O-N 2.96Å; A265-Q267 PolarHBondContact O-N 2.85Å; A265-N268 PolarHBondContact O-N 3.44Å; A265-I269 WeakPolarHBondContact O-CB 3.19Å; A265-I269 VanDerWaalsContact O-CG1 3.24Å; A265-I269 WeakPolarHBondContact O-CG1 3.29Å; A265-I269 PolarHBondContact O-N 3.46Å |
| 266 | A | 85.9 | Confident | 82.9 | Confident | 9 Ų | 9 | 86.4 Ų | 86.4 | 7% | 0.074 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R262 I263 N268 I269 A270 L289 L291 | R262-A266 WeakPolarHBondContact O-CB 3.33Å; R262-A266 PolarHBondContact O-N 2.75Å; I263-A266 PolarHBondContact O-N 2.91Å; A266-N268 PolarHBondContact O-N 2.88Å; A266-I269 PolarHBondContact O-N 3.23Å; A266-A270 VanDerWaalsContact O-CB 3.25Å; A266-A270 WeakPolarHBondContact O-CB 3.38Å; A266-A270 PolarHBondContact O-N 3.34Å; A266-L289 HydrophobicContact CB-CD2 3.89Å; A266-L289 WeakPolarHBondContact O-CD2 3.39Å; A266-L291 HydrophobicContact CB-CD2 4.35Å |
| 267 | Q | 87.6 | Confident | 82.8 | Confident | 122 Ų | 122 | 94.3 Ų | 94.3 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.6 | -43.5 | 174.4 | -77.1 | -179.3 | -39.2 | 0 | 0 | 112.4 | I263 R264 A265 A270 K271 | I263-Q267 WeakPolarHBondContact O-CG 3.31Å; I263-Q267 PolarHBondContact O-N 2.8Å; R264-Q267 PolarHBondContact O-N 3.38Å; A265-Q267 PolarHBondContact O-N 2.85Å; Q267-A270 PolarHBondContact O-N 2.85Å; Q267-K271 WeakPolarHBondContact O-CB 3.38Å; Q267-K271 PolarHBondContact O-N 2.9Å |
| 268 | N | 87.6 | Confident | 82.8 | Confident | 106 Ų | 106 | 95.6 Ų | 95.6 | 57% | 0.567 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.8 | -45.8 | 178.8 | -74 | -15.9 | 0 | 0 | 0 | 111.6 | R264 A265 A266 A270 K271 T272 | R264-N268 WeakPolarHBondContact O-CB 3.4Å; R264-N268 VanDerWaalsContact O-CG 3.31Å; R264-N268 PolarHBondContact O-N 3.5Å; A265-N268 PolarHBondContact O-N 3.44Å; A266-N268 PolarHBondContact O-N 2.88Å; N268-A270 VanDerWaalsContact C-N 3.34Å; N268-A270 PolarHBondContact O-N 2.94Å; N268-K271 PolarHBondContact O-N 2.8Å; N268-T272 PolarHBondContact O-N 3.39Å; N268-T272 PolarHBondContact O-OG1 2.86Å; N268-T272 VanDerWaalsContact O-OG1 3.08Å |
| 269 | I | 85.2 | Confident | 82.2 | Confident | 58 Ų | 58 | 100.4 Ų | 100.4 | 30% | 0.297 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.5 | -67.3 | 164.9 | 0 | 0 | 0 | 109.8 | A265 A266 K271 T272 V273 L287 L289 | A265-I269 WeakPolarHBondContact O-CB 3.19Å; A265-I269 VanDerWaalsContact O-CG1 3.24Å; A265-I269 WeakPolarHBondContact O-CG1 3.29Å; A265-I269 PolarHBondContact O-N 3.46Å; A266-I269 PolarHBondContact O-N 3.23Å; I269-K271 VanDerWaalsContact C-N 3.3Å; I269-K271 PolarHBondContact O-N 3.42Å; I269-T272 PolarHBondContact O-N 2.87Å; I269-V273 HydrophobicContact CG2-CG2 4.16Å; I269-V273 WeakPolarHBondContact O-CB 3.31Å; I269-V273 VanDerWaalsContact O-CG2 3.24Å; I269-V273 WeakPolarHBondContact O-CG2 3.32Å; I269-V273 PolarHBondContact O-N 3.45Å; I269-L287 HydrophobicContact CG2-CB 4.38Å; I269-L287 HydrophobicContact CG2-CD2 4.1Å; I269-L289 HydrophobicContact CB-CD2 4.36Å; I269-L289 HydrophobicContact CG2-CD2 4.24Å |
| 270 | A | 84.3 | Confident | 81.8 | Confident | 46 Ų | 46 | 103 Ų | 103 | 38% | 0.38 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.8 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A266 Q267 N268 S274 L289 | A266-A270 VanDerWaalsContact O-CB 3.25Å; A266-A270 WeakPolarHBondContact O-CB 3.38Å; A266-A270 PolarHBondContact O-N 3.34Å; Q267-A270 PolarHBondContact O-N 2.85Å; N268-A270 VanDerWaalsContact C-N 3.34Å; N268-A270 PolarHBondContact O-N 2.94Å; A270-S274 VanDerWaalsContact O-CB 3.28Å; A270-S274 WeakPolarHBondContact O-CB 3.48Å; A270-S274 PolarHBondContact O-N 2.85Å; A270-L289 HydrophobicContact CB-CD2 4.38Å |
| 271 | K | 87.1 | Confident | 81.3 | Confident | 159 Ų | 159 | 108.9 Ų | 108.9 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.4 | -43.5 | 176.2 | -168.9 | 176.7 | -177.4 | 179.6 | 0 | 112 | Q267 N268 I269 A275 | Q267-K271 WeakPolarHBondContact O-CB 3.38Å; Q267-K271 PolarHBondContact O-N 2.9Å; N268-K271 PolarHBondContact O-N 2.8Å; I269-K271 VanDerWaalsContact C-N 3.3Å; I269-K271 PolarHBondContact O-N 3.42Å; K271-A275 WeakPolarHBondContact O-CB 3.26Å; K271-A275 PolarHBondContact O-N 2.88Å; K271-A275 VanDerWaalsContact O-N 3.14Å |
| 272 | T | 85.4 | Confident | 80.8 | Confident | 99 Ų | 99 | 107.4 Ų | 107.4 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.3 | -41.4 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | N268 I269 A275 S276 | N268-T272 PolarHBondContact O-N 3.39Å; N268-T272 PolarHBondContact O-OG1 2.86Å; N268-T272 VanDerWaalsContact O-OG1 3.08Å; I269-T272 PolarHBondContact O-N 2.87Å; T272-A275 PolarHBondContact O-N 3.44Å; T272-S276 PolarHBondContact O-N 3.45Å |
| 273 | V | 82.8 | Confident | 80.6 | Confident | 72 Ų | 72 | 107.5 Ų | 107.5 | 44% | 0.436 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.7 | -43 | 176.7 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I269 A275 S276 | I269-V273 HydrophobicContact CG2-CG2 4.16Å; I269-V273 WeakPolarHBondContact O-CB 3.31Å; I269-V273 VanDerWaalsContact O-CG2 3.24Å; I269-V273 WeakPolarHBondContact O-CG2 3.32Å; I269-V273 PolarHBondContact O-N 3.45Å; V273-A275 PolarHBondContact O-N 3.43Å; V273-S276 PolarHBondContact O-N 2.81Å |
| 274 | S | 82.9 | Confident | 80 | Confident | 106 Ų | 106 | 106.7 Ų | 106.7 | 74% | 0.741 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63 | -29.4 | 176 | -178.9 | 0 | 0 | 0 | 0 | 113.3 | A270 | A270-S274 VanDerWaalsContact O-CB 3.28Å; A270-S274 WeakPolarHBondContact O-CB 3.48Å; A270-S274 PolarHBondContact O-N 2.85Å |
| 275 | A | 84.1 | Confident | 79.3 | Confident | 84 Ų | 84 | 103 Ų | 103 | 69% | 0.694 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -88.9 | -17.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | K271 T272 V273 | K271-A275 WeakPolarHBondContact O-CB 3.26Å; K271-A275 PolarHBondContact O-N 2.88Å; K271-A275 VanDerWaalsContact O-N 3.14Å; T272-A275 PolarHBondContact O-N 3.44Å; V273-A275 PolarHBondContact O-N 3.43Å |
| 276 | S | 81.1 | Confident | 78.6 | Confident | 62 Ų | 62 | 104.9 Ų | 104.9 | 43% | 0.434 | 57% | 0.573 | S | S | . | * | trans | -74.6 | 133.2 | -178.9 | 107.3 | 0 | 0 | 0 | 0 | 110.7 | T272 V273 N278 | T272-S276 PolarHBondContact O-N 3.45Å; V273-S276 PolarHBondContact O-N 2.81Å; S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact OG-O 2.84Å | ||
| 277 | Q | 74.6 | Confident | 77.9 | Confident | 190 Ų | 190 | 106.2 Ų | 106.2 | 89% | 0.888 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -75.9 | -19.1 | 179 | -67.8 | -172.3 | -11.2 | 0 | 0 | 113.7 | K279 | Q277-K279 PolarHBondContact O-N 2.91Š|
| 278 | N | 75.9 | Confident | 77.1 | Confident | 132 Ų | 132 | 103.6 Ų | 103.6 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -85 | 111.3 | 179.1 | -83.2 | -1.9 | 0 | 0 | 0 | 111 | S276 V280 | S276-N278 VanDerWaalsContact C-N 3.34Å; S276-N278 PolarHBondContact OG-O 2.84Å; N278-V280 PolarHBondContact O-N 2.87Å; N278-V280 VanDerWaalsContact O-N 3.08Å |
| 279 | K | 66.6 | Low | 76.5 | Confident | 199 Ų | 199 | 101 Ų | 101 | 87% | 0.865 | 56% | 0.557 | S | S | * | * | trans | -79.1 | 87.3 | 174.5 | -66.8 | -179.4 | -177.9 | 179.5 | 0 | 110.2 | Q277 | Q277-K279 PolarHBondContact O-N 2.91Š| ||
| 280 | V | 66.8 | Low | 76 | Confident | 100 Ų | 100 | 101 Ų | 101 | 61% | 0.606 | 56% | 0.557 | S | S | * | * | trans | -98.2 | 121 | 169.4 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | N278 L282 | N278-V280 PolarHBondContact O-N 2.87Å; N278-V280 VanDerWaalsContact O-N 3.08Å; V280-L282 HydrophobicContact CB-CG 4.34Å; V280-L282 HydrophobicContact CG1-CD2 3.73Å; V280-L282 HydrophobicContact CG1-CG 3.91Å; V280-L282 PolarHBondContact O-N 3.4Å | ||
| 281 | Y | 70.4 | Confident | 75.4 | Confident | 228 Ų | 228 | 102.1 Ų | 102.1 | 89% | 0.894 | 56% | 0.556 | S | S | * | * | trans | -72.5 | 97.2 | 173.6 | -65 | -81.5 | 0 | 0 | 0 | 108.8 | ||||
| 282 | L | 72 | Confident | 74.4 | Confident | 99 Ų | 99 | 102.6 Ų | 102.6 | 52% | 0.518 | 56% | 0.561 | S | S | . | * | trans | -101.9 | 139.9 | 175 | -63 | 174.7 | 0 | 0 | 0 | 108.9 | V280 L287 | V280-L282 HydrophobicContact CB-CG 4.34Å; V280-L282 HydrophobicContact CG1-CD2 3.73Å; V280-L282 HydrophobicContact CG1-CG 3.91Å; V280-L282 PolarHBondContact O-N 3.4Å; L282-L287 HydrophobicContact CB-CD1 3.75Å; L282-L287 HydrophobicContact CB-CG 4.23Å; L282-L287 HydrophobicContact CD1-CD1 4.18Å; L282-L287 HydrophobicContact CD1-CD2 4.17Å; L282-L287 HydrophobicContact CD1-CG 4.49Å | ||
| 283 | N | 75.8 | Confident | 73.5 | Confident | 101 Ų | 101 | 101.1 Ų | 101.1 | 54% | 0.54 | 55% | 0.549 | S | S | . | . | trans | -65.4 | 135.8 | 177.2 | -170.1 | -30.2 | 0 | 0 | 0 | 110 | D285 S286 L287 | N283-D285 PolarHBondContact O-N 3.43Å; N283-D285 PolarHBondContact OD1-N 2.81Å; N283-S286 PolarHBondContact O-N 3.22Å; N283-S286 VanDerWaalsContact O-N 3.14Å; N283-S286 PolarHBondContact O-OG 3.04Å; N283-L287 PolarHBondContact O-N 3.28Å | ||
| 284 | A | 70.8 | Confident | 72.3 | Confident | 50 Ų | 50 | 104.9 Ų | 104.9 | 41% | 0.413 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.1 | -27.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V288 L289 | A284-V288 PolarHBondContact O-N 2.76Å; A284-L289 PolarHBondContact O-N 3.03Å |
| 285 | D | 70.8 | Confident | 71.3 | Confident | 97 Ų | 97 | 104.4 Ų | 104.4 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | -35.3 | 176.9 | -66.2 | -35.1 | 0 | 0 | 0 | 112 | N283 L287 V288 N290 | N283-D285 PolarHBondContact O-N 3.43Å; N283-D285 PolarHBondContact OD1-N 2.81Å; D285-L287 VanDerWaalsContact C-N 3.27Å; D285-L287 PolarHBondContact O-N 3.34Å; D285-V288 PolarHBondContact O-N 2.89Å; D285-N290 VanDerWaalsContact OD1-CB 3.23Å; D285-N290 WeakPolarHBondContact OD1-CB 3.33Å; D285-N290 PolarHBondContact OD1-ND2 2.99Å |
| 286 | S | 73 | Confident | 70.2 | Confident | 83 Ų | 83 | 102.1 Ų | 102.1 | 58% | 0.58 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -24 | 177.2 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | N283 | N283-S286 PolarHBondContact O-N 3.22Å; N283-S286 VanDerWaalsContact O-N 3.14Å; N283-S286 PolarHBondContact O-OG 3.04Å |
| 287 | L | 71.3 | Confident | 69.1 | Low | 37 Ų | 37 | 104.8 Ų | 104.8 | 19% | 0.194 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 3.4 | 176.5 | -68.8 | 172.6 | 0 | 0 | 0 | 113.6 | I269 L282 N283 D285 L289 | I269-L287 HydrophobicContact CG2-CB 4.38Å; I269-L287 HydrophobicContact CG2-CD2 4.1Å; L282-L287 HydrophobicContact CB-CD1 3.75Å; L282-L287 HydrophobicContact CB-CG 4.23Å; L282-L287 HydrophobicContact CD1-CD1 4.18Å; L282-L287 HydrophobicContact CD1-CD2 4.17Å; L282-L287 HydrophobicContact CD1-CG 4.49Å; N283-L287 PolarHBondContact O-N 3.28Å; D285-L287 VanDerWaalsContact C-N 3.27Å; D285-L287 PolarHBondContact O-N 3.34Å; L287-L289 HydrophobicContact CB-CD1 3.64Å; L287-L289 HydrophobicContact CB-CG 3.69Å; L287-L289 HydrophobicContact CD1-CD1 3.81Å; L287-L289 HydrophobicContact CG-CD1 4.4Å; L287-L289 PolarHBondContact O-N 3.39Å; L287-L289 VanDerWaalsContact O-N 3.11Å |
| 288 | V | 71.2 | Confident | 68.3 | Low | 67 Ų | 67 | 100.7 Ų | 100.7 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 24 | -179.4 | -159.1 | 0 | 0 | 0 | 0 | 112 | R262 A284 D285 | R262-V288 HydrophobicContact CG-CG1 4.2Å; R262-V288 VanDerWaalsContact NE-CG1 3.32Å; A284-V288 PolarHBondContact O-N 2.76Å; D285-V288 PolarHBondContact O-N 2.89Å |
| 289 | L | 74.3 | Confident | 67.4 | Low | 53 Ų | 53 | 97.6 Ų | 97.6 | 28% | 0.277 | 51% | 0.506 | S | S | . | . | trans | -84.1 | -16.9 | -178.6 | -66.4 | 172.2 | 0 | 0 | 0 | 112.1 | A266 I269 A270 A284 L287 L291 | A266-L289 HydrophobicContact CB-CD2 3.89Å; A266-L289 WeakPolarHBondContact O-CD2 3.39Å; I269-L289 HydrophobicContact CB-CD2 4.36Å; I269-L289 HydrophobicContact CG2-CD2 4.24Å; A270-L289 HydrophobicContact CB-CD2 4.38Å; A284-L289 PolarHBondContact O-N 3.03Å; L287-L289 HydrophobicContact CB-CD1 3.64Å; L287-L289 HydrophobicContact CB-CG 3.69Å; L287-L289 HydrophobicContact CD1-CD1 3.81Å; L287-L289 HydrophobicContact CG-CD1 4.4Å; L287-L289 PolarHBondContact O-N 3.39Å; L287-L289 VanDerWaalsContact O-N 3.11Å; L289-L291 PolarHBondContact O-N 2.64Å; L289-L291 VanDerWaalsContact O-N 3.07Å | ||
| 290 | N | 75 | Confident | 66.6 | Low | 58 Ų | 58 | 90.3 Ų | 90.3 | 31% | 0.31 | 48% | 0.475 | S | S | . | . | trans | -74.5 | 97.3 | 176.2 | -168 | -7.7 | 0 | 0 | 0 | 110.6 | D285 Q292 | D285-N290 VanDerWaalsContact OD1-CB 3.23Å; D285-N290 WeakPolarHBondContact OD1-CB 3.33Å; D285-N290 PolarHBondContact OD1-ND2 2.99Å; N290-Q292 PolarHBondContact OD1-N 3.13Å | ||
| 291 | L | 70.8 | Confident | 65.9 | Low | 69 Ų | 69 | 88.5 Ų | 88.5 | 36% | 0.361 | 47% | 0.467 | S | S | . | . | trans | -88.3 | -2.6 | 179.2 | -59.5 | 175.2 | 0 | 0 | 0 | 113 | I263 A266 L289 | I263-L291 HydrophobicContact CG1-CD1 4.34Å; I263-L291 HydrophobicContact CG1-CD2 4.24Å; A266-L291 HydrophobicContact CB-CD2 4.35Å; L289-L291 PolarHBondContact O-N 2.64Å; L289-L291 VanDerWaalsContact O-N 3.07Å | ||
| 292 | Q | 66.9 | Low | 65 | Low | 168 Ų | 168 | 82.7 Ų | 82.7 | 79% | 0.785 | 46% | 0.455 | S | S | * | . | trans | -99.4 | -0.4 | -173.3 | -67.8 | -174.9 | -7.1 | 0 | 0 | 114.3 | N290 Q294 | N290-Q292 PolarHBondContact OD1-N 3.13Å; Q292-Q294 PolarHBondContact O-N 2.95Å | ||
| 293 | D | 66.9 | Low | 63.9 | Low | 69 Ų | 69 | 82.5 Ų | 82.5 | 37% | 0.369 | 46% | 0.458 | S | S | . | . | trans | -59.7 | 128.5 | -176.3 | -167.9 | -2.5 | 0 | 0 | 0 | 112.3 | T295 F296 | D293-T295 PolarHBondContact O-N 3.17Å; D293-T295 PolarHBondContact OD1-N 3.44Å; D293-T295 PolarHBondContact OD1-OG1 3.07Å; D293-T295 PolarHBondContact OD2-OG1 3.47Å; D293-F296 VanDerWaalsContact O-CB 3.31Å; D293-F296 WeakPolarHBondContact O-CB 3.38Å; D293-F296 PolarHBondContact O-N 3.29Å; D293-F296 VanDerWaalsContact O-N 3.1Å | ||
| 294 | Q | 58.2 | Low | 62.4 | Low | 151 Ų | 151 | 84.7 Ų | 84.7 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.9 | -25 | -175.9 | -73.6 | 176.2 | 2.7 | 0 | 0 | 112.6 | Q292 F296 F297 N298 | Q292-Q294 PolarHBondContact O-N 2.95Å; Q294-F296 PolarHBondContact O-N 2.88Å; Q294-F297 PolarHBondContact O-N 3.45Å; Q294-N298 WeakPolarHBondContact O-CB 3.43Å; Q294-N298 PolarHBondContact O-N 3.28Å; Q294-N298 PolarHBondContact O-ND2 3.28Å |
| 295 | T | 61.6 | Low | 61.1 | Low | 96 Ų | 96 | 91.2 Ų | 91.2 | 59% | 0.589 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -33.5 | 173.9 | 62.6 | 0 | 0 | 0 | 0 | 112 | D293 S299 | D293-T295 PolarHBondContact O-N 3.17Å; D293-T295 PolarHBondContact OD1-N 3.44Å; D293-T295 PolarHBondContact OD1-OG1 3.07Å; D293-T295 PolarHBondContact OD2-OG1 3.47Å; T295-S299 PolarHBondContact O-N 2.79Å |
| 296 | F | 59.6 | Low | 59.4 | Low | 36 Ų | 36 | 98.6 Ų | 98.6 | 16% | 0.158 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 176.9 | 174.7 | -104.8 | 0 | 0 | 0 | 112.1 | K259 D293 Q294 S299 F300 | K259-F296 HydrophobicContact CB-CE2 4.3Å; K259-F296 HydrophobicContact CB-CZ 3.78Å; K259-F296 HydrophobicContact CD-CE1 4.43Å; K259-F296 HydrophobicContact CD-CE2 4.47Å; K259-F296 HydrophobicContact CD-CZ 3.84Å; K259-F296 HydrophobicContact CG-CE1 4.49Å; K259-F296 HydrophobicContact CG-CE2 3.79Å; K259-F296 HydrophobicContact CG-CZ 3.47Å; K259-F296 VanDerWaalsContact CG-CZ 3.47Å; D293-F296 VanDerWaalsContact O-CB 3.31Å; D293-F296 WeakPolarHBondContact O-CB 3.38Å; D293-F296 PolarHBondContact O-N 3.29Å; D293-F296 VanDerWaalsContact O-N 3.1Å; Q294-F296 PolarHBondContact O-N 2.88Å; F296-S299 PolarHBondContact O-OG 2.77Å; F296-S299 VanDerWaalsContact O-OG 3.11Å; F296-F300 HydrophobicContact CE2-CE2 4.45Å; F296-F300 WeakPolarHBondContact O-CD2 3.24Å; F296-F300 WeakPolarHBondContact O-CE2 3.15Å |
| 297 | F | 58.5 | Low | 58.7 | Low | 117 Ų | 117 | 99.4 Ų | 99.4 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -82 | -32.5 | 178.5 | -71.2 | -83 | 0 | 0 | 0 | 112.9 | Q294 S299 F300 | Q294-F297 PolarHBondContact O-N 3.45Å; F297-S299 PolarHBondContact O-N 2.96Å; F297-F300 WeakPolarHBondContact O-CB 3.37Å; F297-F300 PolarHBondContact O-N 2.95Å |
| 298 | N | 57.6 | Low | 58.1 | Low | 104 Ų | 104 | 102.7 Ų | 102.7 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.4 | -28.4 | -179.2 | -78.1 | -21.1 | 0 | 0 | 0 | 114.1 | Q294 F300 S301 | Q294-N298 WeakPolarHBondContact O-CB 3.43Å; Q294-N298 PolarHBondContact O-N 3.28Å; Q294-N298 PolarHBondContact O-ND2 3.28Å; N298-F300 PolarHBondContact O-N 3.19Å; N298-F300 VanDerWaalsContact O-N 3.16Å; N298-S301 PolarHBondContact O-N 3.44Å; N298-S301 PolarHBondContact O-OG 3.47Å; N298-S301 VanDerWaalsContact O-OG 3.06Å |
| 299 | S | 56.4 | Low | 57.3 | Low | 67 Ų | 67 | 104.7 Ų | 104.7 | 47% | 0.469 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -14.5 | 172.6 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | T295 F296 F297 | T295-S299 PolarHBondContact O-N 2.79Å; F296-S299 PolarHBondContact O-OG 2.77Å; F296-S299 VanDerWaalsContact O-OG 3.11Å; F297-S299 PolarHBondContact O-N 2.96Å |
| 300 | F | 50.8 | Low | 56.3 | Low | 47 Ų | 47 | 107.7 Ų | 107.7 | 21% | 0.206 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -84.5 | -29.6 | 178.7 | -73.7 | -90.1 | 0 | 0 | 0 | 113.9 | P255 K259 F296 F297 N298 L304 | P255-F300 HydrophobicContact CB-CE1 4.45Å; K259-F300 HydrophobicContact CD-CD1 4.36Å; K259-F300 HydrophobicContact CD-CE1 3.4Å; K259-F300 HydrophobicContact CD-CE2 3.89Å; K259-F300 HydrophobicContact CD-CZ 3.15Å; K259-F300 VanDerWaalsContact CE-CE1 3.42Å; K259-F300 HydrophobicContact CG-CE1 4.11Å; K259-F300 HydrophobicContact CG-CE2 4.28Å; K259-F300 HydrophobicContact CG-CZ 3.49Å; K259-F300 VanDerWaalsContact CG-CZ 3.49Å; F296-F300 HydrophobicContact CE2-CE2 4.45Å; F296-F300 WeakPolarHBondContact O-CD2 3.24Å; F296-F300 WeakPolarHBondContact O-CE2 3.15Å; F297-F300 WeakPolarHBondContact O-CB 3.37Å; F297-F300 PolarHBondContact O-N 2.95Å; N298-F300 PolarHBondContact O-N 3.19Å; N298-F300 VanDerWaalsContact O-N 3.16Å; F300-L304 PolarHBondContact O-N 3.42Å |
| 301 | S | 51.9 | Low | 55.2 | Low | 62 Ų | 62 | 110.8 Ų | 110.8 | 43% | 0.434 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -77.3 | -25 | -176.9 | 61.7 | 0 | 0 | 0 | 0 | 112.6 | N298 | N298-S301 PolarHBondContact O-N 3.44Å; N298-S301 PolarHBondContact O-OG 3.47Å; N298-S301 VanDerWaalsContact O-OG 3.06Å |
| 302 | T | 51 | Low | 54.1 | Low | 105 Ų | 105 | 113.6 Ų | 113.6 | 64% | 0.644 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77.5 | -32.1 | 178 | -45.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 303 | V | 49.3 | Very low | 53.2 | Low | 96 Ų | 96 | 109.7 Ų | 109.7 | 58% | 0.582 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -81.4 | -27.5 | 178.6 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | K305 | V303-K305 VanDerWaalsContact C-N 3.28Å; V303-K305 PolarHBondContact O-N 3Å |
| 304 | L | 44.3 | Very low | 52.2 | Low | 146 Ų | 146 | 112.8 Ų | 112.8 | 76% | 0.764 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -1.1 | 175.1 | -73.2 | 167 | 0 | 0 | 0 | 113.8 | F300 | F300-L304 PolarHBondContact O-N 3.42Š|
| 305 | K | 43.1 | Very low | 51.7 | Low | 187 Ų | 187 | 109.7 Ų | 109.7 | 81% | 0.813 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 7.9 | 179.2 | -87.8 | -170.7 | 174.8 | -175.4 | 0 | 114.5 | V303 | V303-K305 VanDerWaalsContact C-N 3.28Å; V303-K305 PolarHBondContact O-N 3Å |
| 306 | K | 35.9 | Very low | 50.8 | Low | 253 Ų | 253 | 110.9 Ų | 110.9 | 100% | 1.1 | 57% | 0.567 | S | S | * | * | trans | -122.9 | 0 | 165.7 | -97.3 | -171.1 | 174.6 | -174.8 | 0 | 108.9 |
Retrieved 306 of 306 residues in 474.6 ms
(Link to these results)