| 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 | C | 40.7 | Very low | 39.7 | Very low | 190 Ų | 190 | 125.3 Ų | 125.3 | 100% | 1.284 | 77% | 0.766 | S | S | * | * | 0 | 99.5 | 0 | -66.6 | 0 | 0 | 0 | 0 | 109 | |||||
| 2 | G | 39.6 | Very low | 39.5 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | -91.9 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 3 | S | 42.9 | Very low | 39.6 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 84 | 110.2 | 164.4 | -51.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 4 | N | 41.5 | Very low | 39.5 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | 161.7 | 63.6 | 121.6 | -77.1 | -23.3 | 0 | 0 | 0 | 113.1 | |||||
| 5 | H | 39.4 | Very low | 39.6 | Very low | 193 Ų | 193 | 129.3 Ų | 129.3 | 89% | 0.894 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -136.4 | 19.9 | 167.7 | -114.7 | 52.2 | 0 | 0 | 0 | 115.1 | ||
| 6 | V | 43.3 | Very low | 40 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -106.2 | -1.2 | 178.7 | -165.1 | 0 | 0 | 0 | 0 | 112.5 | F10 | V6-F10 HydrophobicContact CG1-CD2 4.23Å; V6-F10 HydrophobicContact CG1-CE2 4.35Å |
| 7 | G | 38.2 | Very low | 40.5 | Very low | 58 Ų | 58 | 131.7 Ų | 131.7 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -81.9 | -27 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 8 | S | 38.2 | Very low | 40.9 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -91 | -28.5 | -169.6 | -147.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 9 | S | 38.7 | Very low | 41.2 | Very low | 82 Ų | 82 | 131.4 Ų | 131.4 | 57% | 0.573 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -80.9 | -17.7 | 178 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 10 | F | 37.7 | Very low | 41.7 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 61% | 0.614 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -80.2 | -30.5 | 177.2 | -104.8 | -90.8 | 0 | 0 | 0 | 113.3 | V6 R13 S14 | V6-F10 HydrophobicContact CG1-CD2 4.23Å; V6-F10 HydrophobicContact CG1-CE2 4.35Å; F10-R13 PolarHBondContact O-N 3.32Å; F10-S14 PolarHBondContact O-N 3.31Å |
| 11 | F | 37 | Very low | 41.9 | Very low | 164 Ų | 164 | 129 Ų | 129 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -73.4 | -31.5 | 178.8 | -109.9 | -91 | 0 | 0 | 0 | 112.9 | ||
| 12 | H | 37.1 | Very low | 42.2 | Very low | 151 Ų | 151 | 123.6 Ų | 123.6 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.4 | -27.8 | 175.3 | -122.6 | -17.8 | 0 | 0 | 0 | 113.2 | ||
| 13 | R | 40.3 | Very low | 42.9 | Very low | 197 Ų | 197 | 125 Ų | 125 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -80.1 | -17.1 | 178.7 | -155.9 | 171.6 | -169.3 | -141.3 | 2.7 | 113.6 | F10 | F10-R13 PolarHBondContact O-N 3.32Å |
| 14 | S | 38.1 | Very low | 43.4 | Very low | 84 Ų | 84 | 122.1 Ų | 122.1 | 59% | 0.587 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -85.3 | -26.8 | 178.8 | -127.2 | 0 | 0 | 0 | 0 | 113.8 | F10 | F10-S14 PolarHBondContact O-N 3.31Å |
| 15 | L | 40.8 | Very low | 43.8 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 68% | 0.681 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -81.1 | -21.3 | 180 | -95.8 | 150.1 | 0 | 0 | 0 | 114.4 | K17 | L15-K17 VanDerWaalsContact C-N 3.25Å; L15-K17 PolarHBondContact O-N 3.46Å |
| 16 | V | 46.4 | Very low | 44 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 71% | 0.709 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -13.3 | 178.8 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 17 | K | 48.7 | Very low | 44.2 | Very low | 182 Ų | 182 | 124 Ų | 124 | 79% | 0.791 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 0.8 | -178.5 | -82.4 | -171.4 | 175.5 | -174.4 | 0 | 115.7 | L15 | L15-K17 VanDerWaalsContact C-N 3.25Å; L15-K17 PolarHBondContact O-N 3.46Å |
| 18 | Q | 47.3 | Very low | 44.8 | Very low | 159 Ų | 159 | 125.4 Ų | 125.4 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -119.4 | -3.2 | -174 | -81.9 | -170.1 | 22.9 | 0 | 0 | 117.7 | ||
| 19 | Q | 47.6 | Very low | 45.4 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 46% | 0.458 | 62% | 0.619 | S | S | . | * | trans | -147.5 | 77.4 | -179.5 | -62.3 | -71.9 | 15.5 | 0 | 0 | 113.2 | H21 L22 | Q19-H21 PolarHBondContact O-N 3Å; Q19-H21 VanDerWaalsContact O-N 3.17Å; Q19-H21 PolarHBondContact OE1-CE1 3.19Å; Q19-H21 PolarHBondContact OE1-ND1 2.6Å; Q19-L22 HydrophobicContact CB-CB 4.42Å; Q19-L22 HydrophobicContact CB-CD1 3.82Å; Q19-L22 HydrophobicContact CB-CG 4.1Å; Q19-L22 HydrophobicContact CG-CD1 4.02Å; Q19-L22 PolarHBondContact O-N 3.48Å | ||
| 20 | P | 49.5 | Very low | 46.1 | Very low | 110 Ų | 110 | 125 Ų | 125 | 71% | 0.714 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.4 | -20.1 | 175.5 | 24.3 | -32.2 | 0 | 0 | 0 | 113.3 | A24 | P20-A24 WeakPolarHBondContact O-CB 3.43Å; P20-A24 PolarHBondContact O-N 3.47Å |
| 21 | H | 47.8 | Very low | 47.1 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 48% | 0.477 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.9 | -32.2 | -179.8 | 81.7 | -90.8 | 0 | 0 | 0 | 113.4 | Q19 N25 | Q19-H21 PolarHBondContact O-N 3Å; Q19-H21 VanDerWaalsContact O-N 3.17Å; Q19-H21 PolarHBondContact OE1-CE1 3.19Å; Q19-H21 PolarHBondContact OE1-ND1 2.6Å; H21-N25 WeakPolarHBondContact O-CB 3.48Å; H21-N25 PolarHBondContact O-N 3.33Å; H21-N25 VanDerWaalsContact O-N 3.13Å |
| 22 | L | 45.3 | Very low | 48.2 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 40% | 0.398 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.8 | -46.3 | -179.4 | -68.3 | 173.6 | 0 | 0 | 0 | 110.7 | Q19 A24 N25 W26 | Q19-L22 HydrophobicContact CB-CB 4.42Å; Q19-L22 HydrophobicContact CB-CD1 3.82Å; Q19-L22 HydrophobicContact CB-CG 4.1Å; Q19-L22 HydrophobicContact CG-CD1 4.02Å; Q19-L22 PolarHBondContact O-N 3.48Å; L22-A24 VanDerWaalsContact C-N 3.3Å; L22-A24 PolarHBondContact O-N 2.98Å; L22-N25 WeakPolarHBondContact O-CB 3.44Å; L22-N25 PolarHBondContact O-N 3.15Å; L22-N25 VanDerWaalsContact O-N 3.09Å; L22-W26 PolarHBondContact O-N 2.86Å |
| 23 | V | 56 | Low | 49.3 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.9 | -38.8 | 179.2 | -176 | 0 | 0 | 0 | 0 | 111.3 | R27 | V23-R27 WeakPolarHBondContact O-CB 3.38Å; V23-R27 PolarHBondContact O-N 3.4Å; V23-R27 VanDerWaalsContact O-N 3.07Å |
| 24 | A | 52.2 | Low | 50.8 | Low | 50 Ų | 50 | 118.3 Ų | 118.3 | 41% | 0.413 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.1 | -35.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P20 L22 N28 | P20-A24 WeakPolarHBondContact O-CB 3.43Å; P20-A24 PolarHBondContact O-N 3.47Å; L22-A24 VanDerWaalsContact C-N 3.3Å; L22-A24 PolarHBondContact O-N 2.98Å; A24-N28 WeakPolarHBondContact O-CB 3.46Å; A24-N28 PolarHBondContact O-N 3.29Å; A24-N28 PolarHBondContact O-ND2 3.06Å; A24-N28 VanDerWaalsContact O-ND2 3.08Å |
| 25 | N | 49.3 | Very low | 52.5 | Low | 103 Ų | 103 | 121.9 Ų | 121.9 | 55% | 0.551 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.6 | -40.9 | 178.2 | -159.1 | 1.6 | 0 | 0 | 0 | 111.8 | H21 L22 N28 K29 | H21-N25 WeakPolarHBondContact O-CB 3.48Å; H21-N25 PolarHBondContact O-N 3.33Å; H21-N25 VanDerWaalsContact O-N 3.13Å; L22-N25 WeakPolarHBondContact O-CB 3.44Å; L22-N25 PolarHBondContact O-N 3.15Å; L22-N25 VanDerWaalsContact O-N 3.09Å; N25-N28 PolarHBondContact O-N 3.35Å; N25-K29 VanDerWaalsContact O-CB 3.32Å; N25-K29 WeakPolarHBondContact O-CB 3.43Å; N25-K29 PolarHBondContact O-N 3.44Å |
| 26 | W | 44.8 | Very low | 53.7 | Low | 187 Ų | 187 | 121.2 Ų | 121.2 | 71% | 0.708 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63 | -42.6 | 173.2 | -75.3 | 104.3 | 0 | 0 | 0 | 112.4 | L22 K29 A30 | L22-W26 PolarHBondContact O-N 2.86Å; W26-K29 PolarHBondContact O-N 3.31Å; W26-A30 WeakPolarHBondContact O-CB 3.47Å; W26-A30 PolarHBondContact O-N 2.91Å |
| 27 | R | 46.9 | Very low | 54.7 | Low | 199 Ų | 199 | 118.4 Ų | 118.4 | 75% | 0.751 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.8 | -40.1 | 177 | -161.5 | 174.8 | -170.7 | 176.9 | 2.1 | 112.3 | V23 Q31 | V23-R27 WeakPolarHBondContact O-CB 3.38Å; V23-R27 PolarHBondContact O-N 3.4Å; V23-R27 VanDerWaalsContact O-N 3.07Å; R27-Q31 WeakPolarHBondContact O-CB 3.38Å; R27-Q31 PolarHBondContact O-N 3.46Å |
| 28 | N | 50.6 | Low | 55.7 | Low | 89 Ų | 89 | 114.5 Ų | 114.5 | 48% | 0.476 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.3 | -39.8 | 173.5 | -97.9 | -82.5 | 0 | 0 | 0 | 112.7 | A24 N25 Q31 K32 | A24-N28 WeakPolarHBondContact O-CB 3.46Å; A24-N28 PolarHBondContact O-N 3.29Å; A24-N28 PolarHBondContact O-ND2 3.06Å; A24-N28 VanDerWaalsContact O-ND2 3.08Å; N25-N28 PolarHBondContact O-N 3.35Å; N28-Q31 PolarHBondContact O-N 3.3Å; N28-K32 WeakPolarHBondContact O-CB 3.36Å; N28-K32 WeakPolarHBondContact O-CG 3.42Å; N28-K32 PolarHBondContact O-N 3.47Å |
| 29 | K | 52.1 | Low | 57 | Low | 132 Ų | 132 | 113.1 Ų | 113.1 | 57% | 0.574 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.9 | -38.5 | 179.7 | -161 | 170.8 | -174.3 | 177.5 | 0 | 111.8 | N25 W26 N33 | N25-K29 VanDerWaalsContact O-CB 3.32Å; N25-K29 WeakPolarHBondContact O-CB 3.43Å; N25-K29 PolarHBondContact O-N 3.44Å; W26-K29 PolarHBondContact O-N 3.31Å; K29-N33 VanDerWaalsContact O-CG 3.29Å; K29-N33 PolarHBondContact O-N 3.36Å; K29-N33 VanDerWaalsContact O-N 3.12Å; K29-N33 PolarHBondContact O-OD1 2.97Å |
| 30 | A | 53.5 | Low | 58.2 | Low | 53 Ų | 53 | 113.7 Ų | 113.7 | 44% | 0.438 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64 | -45 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W26 K32 N33 E34 | W26-A30 WeakPolarHBondContact O-CB 3.47Å; W26-A30 PolarHBondContact O-N 2.91Å; A30-K32 PolarHBondContact O-N 2.85Å; A30-N33 PolarHBondContact O-N 3.03Å; A30-E34 PolarHBondContact O-N 2.99Å |
| 31 | Q | 57.6 | Low | 59.3 | Low | 130 Ų | 130 | 115.9 Ų | 115.9 | 61% | 0.607 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.2 | -33.5 | 179.9 | -165.8 | 177.6 | -3.2 | 0 | 0 | 113 | R27 N28 R35 | R27-Q31 WeakPolarHBondContact O-CB 3.38Å; R27-Q31 PolarHBondContact O-N 3.46Å; N28-Q31 PolarHBondContact O-N 3.3Å; Q31-R35 WeakPolarHBondContact O-CB 3.49Å; Q31-R35 PolarHBondContact O-N 3.41Å; Q31-R35 VanDerWaalsContact O-N 3.1Å |
| 32 | K | 59.4 | Low | 60.3 | Low | 145 Ų | 145 | 117.6 Ų | 117.6 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.8 | -42.5 | 171.8 | -78.6 | -176.6 | 177.6 | -176.2 | 0 | 112 | N28 A30 E34 R35 E36 | N28-K32 WeakPolarHBondContact O-CB 3.36Å; N28-K32 WeakPolarHBondContact O-CG 3.42Å; N28-K32 PolarHBondContact O-N 3.47Å; A30-K32 PolarHBondContact O-N 2.85Å; K32-E34 PolarHBondContact O-N 3.04Å; K32-R35 PolarHBondContact O-N 3.31Å; K32-E36 WeakPolarHBondContact O-CB 3.32Å; K32-E36 PolarHBondContact O-N 3.48Å |
| 33 | N | 62.1 | Low | 61.2 | Low | 106 Ų | 106 | 118 Ų | 118 | 57% | 0.567 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.9 | -39.7 | 177.3 | -74.6 | -2.5 | 0 | 0 | 0 | 112.1 | K29 A30 S37 | K29-N33 VanDerWaalsContact O-CG 3.29Å; K29-N33 PolarHBondContact O-N 3.36Å; K29-N33 VanDerWaalsContact O-N 3.12Å; K29-N33 PolarHBondContact O-OD1 2.97Å; A30-N33 PolarHBondContact O-N 3.03Å; N33-S37 WeakPolarHBondContact O-CB 3.34Å; N33-S37 PolarHBondContact O-N 2.99Å |
| 34 | E | 70.8 | Confident | 61.3 | Low | 131 Ų | 131 | 119.9 Ų | 119.9 | 61% | 0.612 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.5 | -43.7 | 175.4 | -74.5 | -178 | 169.6 | 0 | 0 | 111.9 | A30 K32 E36 S37 I38 | A30-E34 PolarHBondContact O-N 2.99Å; K32-E34 PolarHBondContact O-N 3.04Å; E34-E36 VanDerWaalsContact C-N 3.33Å; E34-E36 PolarHBondContact O-N 2.81Å; E34-S37 PolarHBondContact O-N 3.4Å; E34-I38 WeakPolarHBondContact O-CB 3.4Å; E34-I38 WeakPolarHBondContact O-CD1 3.49Å; E34-I38 WeakPolarHBondContact O-CG1 3.33Å; E34-I38 PolarHBondContact O-N 3.38Å |
| 35 | R | 74.4 | Confident | 61.1 | Low | 159 Ų | 159 | 119.6 Ų | 119.6 | 60% | 0.6 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.9 | -37.2 | 178.8 | -169.5 | -179.2 | 177.2 | -134.5 | 1.6 | 112.7 | Q31 K32 R39 | Q31-R35 WeakPolarHBondContact O-CB 3.49Å; Q31-R35 PolarHBondContact O-N 3.41Å; Q31-R35 VanDerWaalsContact O-N 3.1Å; K32-R35 PolarHBondContact O-N 3.31Å; R35-R39 PolarHBondContact O-N 3Å; R35-R39 VanDerWaalsContact O-N 3.15Å |
| 36 | E | 65.9 | Low | 61.3 | Low | 116 Ų | 116 | 119.7 Ų | 119.7 | 54% | 0.542 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -75.6 | -37.9 | 177.2 | -167.3 | 142.5 | -165.9 | 0 | 0 | 112 | K32 E34 I38 R39 Q40 | K32-E36 WeakPolarHBondContact O-CB 3.32Å; K32-E36 PolarHBondContact O-N 3.48Å; E34-E36 VanDerWaalsContact C-N 3.33Å; E34-E36 PolarHBondContact O-N 2.81Å; E36-I38 PolarHBondContact O-N 3.4Å; E36-R39 PolarHBondContact O-N 3.31Å; E36-Q40 WeakPolarHBondContact O-CB 3.31Å; E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.4Å; E36-Q40 PolarHBondContact O-N 3.37Å |
| 37 | S | 67.3 | Low | 61.5 | Low | 58 Ų | 58 | 119.6 Ų | 119.6 | 41% | 0.406 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.5 | -38.9 | 172.6 | -174 | 0 | 0 | 0 | 0 | 112.6 | N33 E34 Q40 K41 | N33-S37 WeakPolarHBondContact O-CB 3.34Å; N33-S37 PolarHBondContact O-N 2.99Å; E34-S37 PolarHBondContact O-N 3.4Å; S37-Q40 PolarHBondContact O-N 3.2Å; S37-K41 WeakPolarHBondContact O-CB 3.46Å; S37-K41 PolarHBondContact O-N 3.2Å |
| 38 | I | 68.5 | Low | 61.3 | Low | 100 Ų | 100 | 118.8 Ų | 118.8 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.1 | -44 | 175.4 | -68.2 | 163.1 | 0 | 0 | 0 | 110.7 | E34 E36 Q40 K41 L42 | E34-I38 WeakPolarHBondContact O-CB 3.4Å; E34-I38 WeakPolarHBondContact O-CD1 3.49Å; E34-I38 WeakPolarHBondContact O-CG1 3.33Å; E34-I38 PolarHBondContact O-N 3.38Å; E36-I38 PolarHBondContact O-N 3.4Å; I38-Q40 VanDerWaalsContact C-N 3.34Å; I38-Q40 PolarHBondContact O-N 3.33Å; I38-K41 PolarHBondContact O-N 3.31Å; I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.4Å; I38-L42 WeakPolarHBondContact O-CB 3.3Å; I38-L42 WeakPolarHBondContact O-CG 3.23Å; I38-L42 PolarHBondContact O-N 2.92Å |
| 39 | R | 75.8 | Confident | 60.9 | Low | 129 Ų | 129 | 121.5 Ų | 121.5 | 49% | 0.487 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.2 | -41.1 | 174.7 | -85.1 | -170.8 | -86.3 | -149.8 | 5.6 | 112.5 | R35 E36 L42 A43 | R35-R39 PolarHBondContact O-N 3Å; R35-R39 VanDerWaalsContact O-N 3.15Å; E36-R39 PolarHBondContact O-N 3.31Å; R39-L42 PolarHBondContact O-N 2.97Å; R39-A43 VanDerWaalsContact O-CB 3.3Å; R39-A43 WeakPolarHBondContact O-CB 3.32Å; R39-A43 PolarHBondContact O-N 2.83Å |
| 40 | Q | 71.3 | Confident | 60.7 | Low | 111 Ų | 111 | 122.6 Ų | 122.6 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.5 | -40.1 | 175.4 | -71.8 | 174.3 | 2.3 | 0 | 0 | 112.2 | E36 S37 I38 A43 L44 | E36-Q40 WeakPolarHBondContact O-CB 3.31Å; E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.4Å; E36-Q40 PolarHBondContact O-N 3.37Å; S37-Q40 PolarHBondContact O-N 3.2Å; I38-Q40 VanDerWaalsContact C-N 3.34Å; I38-Q40 PolarHBondContact O-N 3.33Å; Q40-A43 PolarHBondContact O-N 3.19Å; Q40-L44 WeakPolarHBondContact O-CB 3.31Å; Q40-L44 PolarHBondContact O-N 3.13Å |
| 41 | K | 74.3 | Confident | 59.8 | Low | 156 Ų | 156 | 122.8 Ų | 122.8 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65 | -38.9 | 174.9 | -92.9 | -177.4 | 173.5 | -174.4 | 0 | 113.2 | S37 I38 G45 | S37-K41 WeakPolarHBondContact O-CB 3.46Å; S37-K41 PolarHBondContact O-N 3.2Å; I38-K41 PolarHBondContact O-N 3.31Å; K41-G45 PolarHBondContact O-N 2.85Å; K41-G45 VanDerWaalsContact O-N 3.11Å |
| 42 | L | 68.1 | Low | 59.3 | Low | 139 Ų | 139 | 123 Ų | 123 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.8 | -37.3 | 176.1 | -71.7 | 169.3 | 0 | 0 | 0 | 111.6 | I38 R39 | I38-L42 HydrophobicContact CG2-CD1 3.86Å; I38-L42 HydrophobicContact CG2-CG 4.4Å; I38-L42 WeakPolarHBondContact O-CB 3.3Å; I38-L42 WeakPolarHBondContact O-CG 3.23Å; I38-L42 PolarHBondContact O-N 2.92Å; R39-L42 PolarHBondContact O-N 2.97Å |
| 43 | A | 64.1 | Low | 58.4 | Low | 85 Ų | 85 | 119.6 Ų | 119.6 | 70% | 0.702 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71 | -27.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R39 Q40 | R39-A43 VanDerWaalsContact O-CB 3.3Å; R39-A43 WeakPolarHBondContact O-CB 3.32Å; R39-A43 PolarHBondContact O-N 2.83Å; Q40-A43 PolarHBondContact O-N 3.19Å |
| 44 | L | 58.8 | Low | 57.5 | Low | 139 Ų | 139 | 122.4 Ų | 122.4 | 73% | 0.728 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 5 | -178.7 | -70.4 | 168.3 | 0 | 0 | 0 | 114.5 | Q40 | Q40-L44 WeakPolarHBondContact O-CB 3.31Å; Q40-L44 PolarHBondContact O-N 3.13Å |
| 45 | G | 47.4 | Very low | 56 | Low | 44 Ų | 44 | 126.4 Ų | 126.4 | 45% | 0.454 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 42.3 | 85.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | K41 F47 | K41-G45 PolarHBondContact O-N 2.85Å; K41-G45 VanDerWaalsContact O-N 3.11Å; G45-F47 PolarHBondContact O-N 3.02Å |
| 46 | S | 53.9 | Low | 54 | Low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | 21.6 | 69.3 | 160.2 | -177 | 0 | 0 | 0 | 0 | 115.8 | F48 | S46-F48 VanDerWaalsContact C-N 3.33Š| ||
| 47 | F | 49.4 | Very low | 53 | Low | 185 Ų | 185 | 124.3 Ų | 124.3 | 81% | 0.811 | 70% | 0.695 | S | S | * | * | trans | -92.2 | 9.7 | 178.7 | -128.6 | -90.1 | 0 | 0 | 0 | 113.9 | G45 | G45-F47 PolarHBondContact O-N 3.02Š| ||
| 48 | F | 42.2 | Very low | 51.2 | Low | 182 Ų | 182 | 126.9 Ų | 126.9 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | trans | -137.6 | 86.7 | 171 | -85 | -90.2 | 0 | 0 | 0 | 108.7 | S46 | S46-F48 VanDerWaalsContact C-N 3.33Š| ||
| 49 | D | 41.4 | Very low | 49.8 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -90.3 | 115.4 | 153.7 | -177.2 | 50.6 | 0 | 0 | 0 | 105.9 | ||||
| 50 | D | 48.8 | Very low | 48.7 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -121.8 | 96.6 | -175.6 | -136 | -7.6 | 0 | 0 | 0 | 108.1 | ||||
| 51 | G | 35.1 | Very low | 47.5 | Very low | 58 Ų | 58 | 131 Ų | 131 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | trans | -175.1 | 140.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 52 | P | 46.7 | Very low | 46.3 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -103.3 | 140.3 | -131.8 | 36 | -31.7 | 0 | 0 | 0 | 116.1 | ||||
| 53 | G | 40 | Very low | 45.8 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | 82.8 | 114.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 54 | I | 42.8 | Very low | 45.2 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | 158.3 | 116.2 | 110.8 | -71.5 | -98.4 | 0 | 0 | 0 | 108.5 | |||||
| 55 | Y | 39.3 | Very low | 45.4 | Very low | 215 Ų | 215 | 126.4 Ų | 126.4 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | 69.1 | 103.9 | 155.3 | -133.2 | -105.6 | 0 | 0 | 0 | 119.3 | ||||
| 56 | T | 32.8 | Very low | 45.7 | Very low | 113 Ų | 113 | 131 Ų | 131 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | 169.3 | 118 | 102.9 | -61.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 57 | S | 44.6 | Very low | 45.8 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -71.3 | 123.9 | 171.1 | 43.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 58 | C | 29.7 | Very low | 46.2 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | trans | -155.9 | 128.8 | 143.5 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 59 | S | 40.1 | Very low | 46.9 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 77.2 | 95.5 | 147.7 | -49.5 | 0 | 0 | 0 | 0 | 119.5 | S61 | S59-S61 PolarHBondContact O-N 3.4Š| ||
| 60 | K | 51.4 | Low | 47.6 | Very low | 219 Ų | 219 | 124 Ų | 124 | 95% | 0.952 | 73% | 0.729 | S | S | * | * | trans | -36.5 | 108.5 | 145.7 | -64.6 | 174.2 | 176.5 | 175.6 | 0 | 110.8 | ||||
| 61 | S | 47 | Very low | 48 | Very low | 103 Ų | 103 | 125 Ų | 125 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | -143.1 | 96 | 158.3 | 60.4 | 0 | 0 | 0 | 0 | 109 | S59 K63 | S59-S61 PolarHBondContact O-N 3.4Å; S61-K63 PolarHBondContact O-N 2.69Å | ||
| 62 | G | 49.3 | Very low | 49 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 120.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 63 | K | 56.9 | Low | 49.2 | Very low | 187 Ų | 187 | 123.4 Ų | 123.4 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -68 | 130.7 | 172 | -65.2 | 173.4 | -179.7 | 173.1 | 0 | 107.9 | S61 | S61-K63 PolarHBondContact O-N 2.69Š|
| 64 | P | 51.5 | Low | 50.1 | Low | 78 Ų | 78 | 128.2 Ų | 128.2 | 51% | 0.506 | 73% | 0.726 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 146.6 | 175.7 | 27.2 | -32.6 | 0 | 0 | 0 | 110 | ||
| 65 | S | 62.8 | Low | 50.6 | Low | 80 Ų | 80 | 128 Ų | 128 | 56% | 0.559 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 154 | -177.9 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | S67 S68 | S65-S67 PolarHBondContact O-N 3.29Å; S65-S67 VanDerWaalsContact O-N 3.09Å; S65-S68 WeakPolarHBondContact O-CB 3.45Å; S65-S68 PolarHBondContact O-N 3.28Å |
| 66 | L | 54.6 | Low | 51.5 | Low | 139 Ų | 139 | 126.5 Ų | 126.5 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -50.2 | -32.9 | 175.8 | -99.3 | 159.1 | 0 | 0 | 0 | 113 | S68 R69 L70 | L66-S68 VanDerWaalsContact C-N 3.3Å; L66-S68 PolarHBondContact O-N 3.07Å; L66-R69 PolarHBondContact O-N 3.32Å; L66-L70 PolarHBondContact O-N 3.01Å |
| 67 | S | 56.2 | Low | 52.7 | Low | 86 Ų | 86 | 129.6 Ų | 129.6 | 60% | 0.601 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -61 | -33.7 | 175 | -74.4 | 0 | 0 | 0 | 0 | 113.7 | S65 | S65-S67 PolarHBondContact O-N 3.29Å; S65-S67 VanDerWaalsContact O-N 3.09Å |
| 68 | S | 56.2 | Low | 53.4 | Low | 68 Ų | 68 | 131.1 Ų | 131.1 | 48% | 0.476 | 74% | 0.736 | S | S | . | * | H | α-helix | trans | -73.3 | -29.5 | 178.6 | 173.2 | 0 | 0 | 0 | 0 | 112.5 | S65 L66 | S65-S68 WeakPolarHBondContact O-CB 3.45Å; S65-S68 PolarHBondContact O-N 3.28Å; L66-S68 VanDerWaalsContact C-N 3.3Å; L66-S68 PolarHBondContact O-N 3.07Å |
| 69 | R | 56.9 | Low | 54.3 | Low | 176 Ų | 176 | 131.4 Ų | 131.4 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -75 | -26.7 | 176.1 | -73.7 | -174.1 | -167.8 | -148.6 | -1.4 | 113.2 | L66 | L66-R69 PolarHBondContact O-N 3.32Å |
| 70 | L | 57.7 | Low | 54.5 | Low | 143 Ų | 143 | 135.7 Ų | 135.7 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -83.4 | -12.2 | -178 | -67.5 | 171.5 | 0 | 0 | 0 | 114 | L66 | L66-L70 PolarHBondContact O-N 3.01Å |
| 71 | Q | 57.1 | Low | 54.6 | Low | 175 Ų | 175 | 131.1 Ų | 131.1 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -92.3 | -15.2 | 178.1 | -76.7 | -179.8 | -10 | 0 | 0 | 114.3 | G73 | Q71-G73 PolarHBondContact O-N 3.3Š|
| 72 | S | 55.5 | Low | 54.6 | Low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -90 | 93.5 | 169.3 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 73 | G | 51.4 | Low | 55.1 | Low | 55 Ų | 55 | 136.4 Ų | 136.4 | 57% | 0.567 | 74% | 0.736 | S | S | * | * | trans | -55.5 | 153.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q71 | Q71-G73 PolarHBondContact O-N 3.3Š| ||
| 74 | M | 58.3 | Low | 54.8 | Low | 174 Ų | 174 | 131.9 Ų | 131.9 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | trans | 57.2 | 97 | 145.9 | -59.8 | 159.3 | 61.9 | 0 | 0 | 115.3 | ||||
| 75 | N | 53.4 | Low | 55 | Low | 161 Ų | 161 | 132.2 Ų | 132.2 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | -179.1 | 68.3 | 142.4 | -82.6 | -31 | 0 | 0 | 0 | 110.2 | Q77 | N75-Q77 PolarHBondContact O-N 2.91Š| ||
| 76 | L | 57.6 | Low | 54.2 | Low | 184 Ų | 184 | 133.7 Ų | 133.7 | 96% | 0.963 | 76% | 0.755 | S | S | * | * | trans | -83.7 | 89.8 | 159.4 | -88.1 | 155.3 | 0 | 0 | 0 | 107 | I78 | L76-I78 PolarHBondContact O-N 2.93Š| ||
| 77 | Q | 58.9 | Low | 54 | Low | 177 Ų | 177 | 134.5 Ų | 134.5 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -82.1 | 114.1 | 177.2 | -161.1 | 170.6 | -0.1 | 0 | 0 | 108.4 | N75 C79 | N75-Q77 PolarHBondContact O-N 2.91Å; Q77-C79 PolarHBondContact O-N 3.36Å | ||
| 78 | I | 58.2 | Low | 53.9 | Low | 150 Ų | 150 | 139.8 Ų | 139.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -61.9 | 125.3 | 175.1 | -62.6 | 169.9 | 0 | 0 | 0 | 108.1 | L76 F80 | L76-I78 PolarHBondContact O-N 2.93Å; I78-F80 PolarHBondContact O-N 3.48Å | ||
| 79 | C | 49.3 | Very low | 53.6 | Low | 118 Ų | 118 | 143.7 Ų | 143.7 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -73.1 | 107.2 | 175.5 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | Q77 V81 | Q77-C79 PolarHBondContact O-N 3.36Å; C79-V81 PolarHBondContact O-N 3.48Å | ||
| 80 | F | 43.7 | Very low | 53.3 | Low | 194 Ų | 194 | 140.7 Ų | 140.7 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -77.2 | 114.9 | 165.7 | -119.5 | -94.6 | 0 | 0 | 0 | 108.4 | I78 | I78-F80 PolarHBondContact O-N 3.48Š| ||
| 81 | V | 53.6 | Low | 53.1 | Low | 122 Ų | 122 | 141.8 Ų | 141.8 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | trans | -81.5 | 117.7 | 170 | -175 | 0 | 0 | 0 | 0 | 106.9 | C79 | C79-V81 PolarHBondContact O-N 3.48Š| ||
| 82 | N | 47.9 | Very low | 52.7 | Low | 131 Ų | 131 | 138.3 Ų | 138.3 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -84.6 | 109 | 169.3 | -118.6 | 23.1 | 0 | 0 | 0 | 107.6 | S84 | N82-S84 PolarHBondContact O-N 3.2Å; N82-S84 VanDerWaalsContact O-N 3.14Å | ||
| 83 | D | 58.8 | Low | 52.5 | Low | 163 Ų | 163 | 140.6 Ų | 140.6 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -70.1 | 100.3 | 156.4 | -89 | -29.6 | 0 | 0 | 0 | 107.1 | ||||
| 84 | S | 50.7 | Low | 52.1 | Low | 92 Ų | 92 | 144.8 Ų | 144.8 | 64% | 0.643 | 82% | 0.815 | S | S | * | * | trans | -124.9 | 104.2 | 166.9 | -64.5 | 0 | 0 | 0 | 0 | 106.7 | N82 | N82-S84 PolarHBondContact O-N 3.2Å; N82-S84 VanDerWaalsContact O-N 3.14Å | ||
| 85 | G | 56.3 | Low | 51.2 | Low | 84 Ų | 84 | 141 Ų | 141 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -57.9 | 147.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 86 | S | 45.9 | Very low | 50.5 | Low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -133.6 | 110.9 | 153 | 68.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 87 | D | 50.5 | Low | 49.7 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -41.4 | 132.8 | 156.3 | -82.3 | -42.1 | 0 | 0 | 0 | 110.7 | ||||
| 88 | K | 54.7 | Low | 48.8 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | trans | -149.8 | 105.1 | 157 | -135.7 | 176.3 | 179.6 | 175.4 | 0 | 108.9 | ||||
| 89 | D | 49.1 | Very low | 47.7 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | -53.7 | 132.8 | 169.9 | -57.1 | -62 | 0 | 0 | 0 | 110.5 | ||||
| 90 | S | 51.6 | Low | 47.1 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -139.2 | 106.9 | 158.5 | 62.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 91 | D | 53.2 | Low | 47 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -56.8 | 128.8 | 168.6 | -64.3 | -64.8 | 0 | 0 | 0 | 110.9 | ||||
| 92 | A | 48.6 | Very low | 46.2 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -149 | 111.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 93 | D | 50.8 | Low | 45.9 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -43.3 | 129.6 | 169.1 | -172.6 | 25.2 | 0 | 0 | 0 | 114 | ||||
| 94 | D | 42 | Very low | 45 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -156.8 | 108.2 | 141.8 | -139.1 | -14 | 0 | 0 | 0 | 113 | ||||
| 95 | S | 40.4 | Very low | 44.2 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | trans | 21.1 | 103.1 | 143.2 | -43.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 96 | K | 39.1 | Very low | 43.4 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -93.8 | 115.3 | 158 | -72.6 | -179 | 178.2 | 173.4 | 0 | 109.7 | E98 | K96-E98 PolarHBondContact O-N 3.21Š| ||
| 97 | T | 39.8 | Very low | 43.5 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | trans | -75.6 | 114.6 | 163.3 | 40.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 98 | E | 40.3 | Very low | 42.9 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -46.3 | 129 | 159.3 | -46.3 | -86.8 | 130.1 | 0 | 0 | 111.3 | K96 | K96-E98 PolarHBondContact O-N 3.21Š| ||
| 99 | T | 35.3 | Very low | 42.7 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -150.6 | 91.1 | 153.5 | 157.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 100 | S | 36.7 | Very low | 42.6 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 3.7 | 127.8 | 148.9 | -165 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 101 | L | 41.8 | Very low | 42.7 | Very low | 165 Ų | 165 | 143 Ų | 143 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -40 | 128.9 | 146.3 | -62.1 | 158.4 | 0 | 0 | 0 | 111 | ||||
| 102 | D | 35.8 | Very low | 42.3 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -162.7 | 127.2 | 131.9 | -152.1 | 41.5 | 0 | 0 | 0 | 110.9 | ||||
| 103 | T | 42.4 | Very low | 42.6 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -98.4 | 133.1 | 174.4 | -60.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 104 | P | 39.8 | Very low | 42.6 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -128.1 | 119.9 | 142 | 21.4 | -3 | 0 | 0 | 0 | 112.5 | ||||
| 105 | L | 33.7 | Very low | 42.9 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -0.2 | 136.7 | 149.9 | -60.3 | 166.7 | 0 | 0 | 0 | 119 | ||||
| 106 | S | 40.6 | Very low | 43.4 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -57 | 169.3 | 172.4 | -47.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 107 | P | 47.4 | Very low | 44.1 | Very low | 131 Ų | 131 | 141 Ų | 141 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | -133.5 | 135.1 | 105.1 | 13.2 | 7.6 | 0 | 0 | 0 | 114.6 | |||||
| 108 | M | 38.8 | Very low | 44.8 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -62.7 | 127.4 | 168.2 | -71.2 | 148.5 | 59.3 | 0 | 0 | 111.6 | ||||
| 109 | S | 49.8 | Very low | 45 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -86.7 | 105.8 | 159.7 | -87.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 110 | K | 45.9 | Very low | 45.6 | Very low | 171 Ų | 171 | 142 Ų | 142 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -81.3 | 116.3 | 161.1 | -65.5 | 177.2 | 179.3 | 177.7 | 0 | 107.9 | ||||
| 111 | Q | 53.9 | Low | 46.1 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -132.3 | 124.1 | 150.6 | -74.4 | -163.3 | -64.8 | 0 | 0 | 109.5 | ||||
| 112 | S | 46.3 | Very low | 46.3 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -82.6 | 140.7 | -173.5 | -27.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 113 | S | 53.6 | Low | 46.9 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -156.3 | 87.7 | 153.4 | 61.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 114 | S | 50.8 | Low | 47.1 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | 64.2 | 97.1 | 88 | -159.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 115 | Y | 48.5 | Very low | 47.6 | Very low | 214 Ų | 214 | 144 Ų | 144 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | 29.3 | 110.2 | 143.1 | -87 | -95.8 | 0 | 0 | 0 | 120.3 | ||||
| 116 | S | 52.1 | Low | 48.4 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | -154.4 | 97.5 | 125 | 58.8 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 117 | D | 51.9 | Low | 49 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | 36.6 | 70.1 | 81 | -145.8 | 7.8 | 0 | 0 | 0 | 112.1 | |||||
| 118 | R | 56.2 | Low | 49.3 | Very low | 230 Ų | 230 | 136.9 Ų | 136.9 | 87% | 0.868 | 74% | 0.74 | S | S | * | * | trans | -133.2 | 91.3 | 159.2 | -82.4 | -160.5 | 160.7 | -167.3 | -5.8 | 107.8 | ||||
| 119 | D | 44 | Very low | 50.2 | Low | 135 Ų | 135 | 138.5 Ų | 138.5 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 47.7 | 79.7 | 132.6 | -142.7 | 13.6 | 0 | 0 | 0 | 113.8 | T121 | D119-T121 PolarHBondContact O-N 3.45Š| ||
| 120 | T | 48.6 | Very low | 51 | Low | 105 Ų | 105 | 139.4 Ų | 139.4 | 64% | 0.644 | 74% | 0.741 | S | S | * | * | trans | -48.7 | 92.5 | 146.5 | 40.9 | 0 | 0 | 0 | 0 | 108.8 | E122 | T120-E122 HydrophobicContact CG2-CG 4.42Å; T120-E122 PolarHBondContact O-N 3.33Å | ||
| 121 | T | 46 | Very low | 52.1 | Low | 120 Ų | 120 | 133.4 Ų | 133.4 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | trans | -71.3 | 69.9 | 148.9 | 59.3 | 0 | 0 | 0 | 0 | 107 | D119 D123 | D119-T121 PolarHBondContact O-N 3.45Å; T121-D123 PolarHBondContact O-N 2.92Å | ||
| 122 | E | 47.1 | Very low | 53.7 | Low | 168 Ų | 168 | 130.2 Ų | 130.2 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -68.1 | 77.2 | 151.9 | -75.9 | 176 | -163.8 | 0 | 0 | 106.3 | T120 | T120-E122 HydrophobicContact CG2-CG 4.42Å; T120-E122 PolarHBondContact O-N 3.33Å | ||
| 123 | D | 47.8 | Very low | 55.6 | Low | 150 Ų | 150 | 132.3 Ų | 132.3 | 80% | 0.802 | 70% | 0.7 | S | S | * | * | trans | -149.3 | 79.3 | 172.1 | -151.7 | 20.3 | 0 | 0 | 0 | 108.2 | T121 | T121-D123 PolarHBondContact O-N 2.92Š| ||
| 124 | D | 46.3 | Very low | 57.2 | Low | 132 Ų | 132 | 132.8 Ų | 132.8 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 168.7 | 13.4 | 138.1 | -128.7 | 0.8 | 0 | 0 | 0 | 112.8 | E126 | D124-E126 PolarHBondContact O-N 3.17Š|
| 125 | S | 49.7 | Very low | 59 | Low | 126 Ų | 126 | 130.4 Ų | 130.4 | 88% | 0.881 | 68% | 0.676 | S | S | * | * | trans | -80.2 | 61.7 | 162.9 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | S127 | S125-S127 PolarHBondContact O-N 2.81Š| ||
| 126 | E | 51.8 | Low | 61 | Low | 120 Ų | 120 | 126.1 Ų | 126.1 | 56% | 0.561 | 66% | 0.659 | S | S | * | * | trans | -51.8 | 113.9 | 159.8 | -72.3 | -171 | 156.3 | 0 | 0 | 106.9 | D124 L128 | D124-E126 PolarHBondContact O-N 3.17Å; E126-L128 PolarHBondContact O-N 3.33Å; E126-L128 VanDerWaalsContact O-N 3.08Å | ||
| 127 | S | 52.5 | Low | 62.9 | Low | 50 Ų | 50 | 125.9 Ų | 125.9 | 35% | 0.35 | 65% | 0.646 | S | S | . | * | trans | -49.1 | 120.5 | 176.2 | 110.1 | 0 | 0 | 0 | 0 | 107.4 | S125 E129 D130 | S125-S127 PolarHBondContact O-N 2.81Å; S127-E129 PolarHBondContact O-N 2.8Å; S127-E129 PolarHBondContact OG-N 3.19Å; S127-D130 PolarHBondContact O-N 2.95Å; S127-D130 VanDerWaalsContact OG-CG 3.29Å; S127-D130 PolarHBondContact OG-N 3.15Å; S127-D130 PolarHBondContact OG-OD2 3.39Å | ||
| 128 | L | 53.7 | Low | 64.8 | Low | 81 Ų | 81 | 126.4 Ų | 126.4 | 42% | 0.424 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.2 | -7.4 | 177 | -67.2 | -178.3 | 0 | 0 | 0 | 112 | E126 M131 K139 | E126-L128 PolarHBondContact O-N 3.33Å; E126-L128 VanDerWaalsContact O-N 3.08Å; L128-M131 HydrophobicContact CD2-CE 3.33Å; L128-M131 HydrophobicContact CG-CE 4.46Å; L128-K139 HydrophobicContact CD2-CD 3.92Å |
| 129 | E | 56.9 | Low | 66.5 | Low | 183 Ų | 183 | 119.5 Ų | 119.5 | 86% | 0.855 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -25.7 | -173.8 | -60.4 | -175.3 | 171.2 | 0 | 0 | 111.9 | S127 | S127-E129 PolarHBondContact O-N 2.8Å; S127-E129 PolarHBondContact OG-N 3.19Å |
| 130 | D | 67.8 | Low | 68.9 | Low | 146 Ų | 146 | 117.3 Ų | 117.3 | 78% | 0.781 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -95.7 | -0.2 | -178.9 | -67.2 | -46.7 | 0 | 0 | 0 | 114.5 | S127 | S127-D130 PolarHBondContact O-N 2.95Å; S127-D130 VanDerWaalsContact OG-CG 3.29Å; S127-D130 PolarHBondContact OG-N 3.15Å; S127-D130 PolarHBondContact OG-OD2 3.39Å |
| 131 | M | 69.4 | Low | 71.1 | Confident | 44 Ų | 44 | 117.2 Ų | 117.2 | 22% | 0.217 | 60% | 0.598 | C | S | . | * | S | Bend | trans | -86.1 | 135 | 178.8 | -79.8 | -169.3 | -79.7 | 0 | 0 | 112.9 | L128 K139 | L128-M131 HydrophobicContact CD2-CE 3.33Å; L128-M131 HydrophobicContact CG-CE 4.46Å; M131-K139 HydrophobicContact CE-CD 3.79Å; M131-K139 HydrophobicContact SD-CD 4.39Å |
| 132 | D | 86.4 | Confident | 73.4 | Confident | 131 Ų | 131 | 114.3 Ų | 114.3 | 70% | 0.701 | 59% | 0.586 | S | S | * | * | trans | -51.9 | 143.4 | 170.4 | -76.8 | -20.5 | 0 | 0 | 0 | 111.8 | L134 S135 R136 | D132-L134 PolarHBondContact O-N 3.37Å; D132-L134 VanDerWaalsContact O-N 3.08Å; D132-S135 WeakPolarHBondContact O-CA 3.49Å; D132-S135 WeakPolarHBondContact O-CB 3.48Å; D132-S135 PolarHBondContact O-N 3.43Å; D132-R136 PolarHBondContact O-N 3.45Å | ||
| 133 | F | 85.5 | Confident | 75.7 | Confident | 162 Ų | 162 | 112.2 Ų | 112.2 | 71% | 0.711 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -49 | -42.8 | -174.5 | 178.2 | -94.4 | 0 | 0 | 0 | 113.6 | R136 Q137 | F133-R136 PolarHBondContact O-N 3.36Å; F133-Q137 WeakPolarHBondContact O-CB 3.49Å; F133-Q137 PolarHBondContact O-N 2.92Å |
| 134 | L | 87.3 | Confident | 77.9 | Confident | 128 Ų | 128 | 107.5 Ų | 107.5 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.5 | -38.8 | 179.6 | -71.2 | 168.5 | 0 | 0 | 0 | 112.5 | D132 K138 | D132-L134 PolarHBondContact O-N 3.37Å; D132-L134 VanDerWaalsContact O-N 3.08Å; L134-K138 WeakPolarHBondContact O-CB 3.45Å; L134-K138 PolarHBondContact O-N 2.98Å |
| 135 | S | 90.5 | Very high | 80.3 | Confident | 64 Ų | 64 | 107.1 Ų | 107.1 | 45% | 0.448 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67 | -44.2 | 176.3 | -61.3 | 0 | 0 | 0 | 0 | 110.5 | D132 K138 K139 | D132-S135 WeakPolarHBondContact O-CA 3.49Å; D132-S135 WeakPolarHBondContact O-CB 3.48Å; D132-S135 PolarHBondContact O-N 3.43Å; S135-K138 PolarHBondContact O-N 3.18Å; S135-K139 PolarHBondContact O-N 3.2Å |
| 136 | R | 90.3 | Very high | 82.5 | Confident | 123 Ų | 123 | 105.8 Ų | 105.8 | 46% | 0.464 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 175.6 | -169.8 | 175.1 | -178.7 | -149.5 | 1.3 | 112.2 | D132 F133 K138 K139 L140 | D132-R136 PolarHBondContact O-N 3.45Å; F133-R136 PolarHBondContact O-N 3.36Å; R136-K138 VanDerWaalsContact C-N 3.34Å; R136-K138 PolarHBondContact O-N 3.22Å; R136-K139 PolarHBondContact O-N 3.17Å; R136-L140 HydrophobicContact CG-CD1 4.19Å; R136-L140 WeakPolarHBondContact O-CG 3.36Å; R136-L140 PolarHBondContact O-N 3.43Å |
| 137 | Q | 90.6 | Very high | 84.6 | Confident | 98 Ų | 98 | 102.9 Ų | 102.9 | 46% | 0.458 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 175.3 | -178.1 | -175.3 | 2.7 | 0 | 0 | 111.3 | F133 L140 Q141 | F133-Q137 WeakPolarHBondContact O-CB 3.49Å; F133-Q137 PolarHBondContact O-N 2.92Å; Q137-L140 PolarHBondContact O-N 3.44Å; Q137-Q141 VanDerWaalsContact O-CB 3.3Å; Q137-Q141 WeakPolarHBondContact O-CB 3.39Å; Q137-Q141 PolarHBondContact O-N 3.07Å |
| 138 | K | 92.1 | Very high | 86.6 | Confident | 158 Ų | 158 | 107 Ų | 107 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 179.2 | -172 | 180 | 178.7 | -174.3 | 0 | 111.9 | L134 S135 R136 Q141 A142 | L134-K138 WeakPolarHBondContact O-CB 3.45Å; L134-K138 PolarHBondContact O-N 2.98Å; S135-K138 PolarHBondContact O-N 3.18Å; R136-K138 VanDerWaalsContact C-N 3.34Å; R136-K138 PolarHBondContact O-N 3.22Å; K138-Q141 PolarHBondContact O-N 3.38Å; K138-A142 WeakPolarHBondContact O-CB 3.48Å; K138-A142 PolarHBondContact O-N 3.04Å |
| 139 | K | 93.3 | Very high | 88.6 | Confident | 86 Ų | 86 | 106.4 Ų | 106.4 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -52.6 | 176.2 | -171 | 174.9 | -176.2 | 170.1 | 0 | 111.1 | L128 M131 S135 R136 Q141 A142 E143 | L128-K139 HydrophobicContact CD2-CD 3.92Å; M131-K139 HydrophobicContact CE-CD 3.79Å; M131-K139 HydrophobicContact SD-CD 4.39Å; S135-K139 PolarHBondContact O-N 3.2Å; R136-K139 PolarHBondContact O-N 3.17Å; K139-Q141 VanDerWaalsContact C-N 3.31Å; K139-Q141 PolarHBondContact O-N 3.23Å; K139-A142 WeakPolarHBondContact O-CB 3.36Å; K139-A142 PolarHBondContact O-N 3.36Å; K139-A142 VanDerWaalsContact O-N 3.11Å; K139-E143 PolarHBondContact O-N 3.42Å |
| 140 | L | 93.2 | Very high | 90.5 | Very high | 89 Ų | 89 | 102.7 Ų | 102.7 | 47% | 0.466 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 177.9 | -71 | 171.3 | 0 | 0 | 0 | 112.4 | R136 Q137 A142 E143 A144 | R136-L140 HydrophobicContact CG-CD1 4.19Å; R136-L140 WeakPolarHBondContact O-CG 3.36Å; R136-L140 PolarHBondContact O-N 3.43Å; Q137-L140 PolarHBondContact O-N 3.44Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 2.72Å; L140-E143 PolarHBondContact O-N 3.46Å; L140-A144 WeakPolarHBondContact O-CB 3.38Å; L140-A144 PolarHBondContact O-N 2.91Å |
| 141 | Q | 94.3 | Very high | 91.8 | Very high | 102 Ų | 102 | 98 Ų | 98 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 176.3 | -168.3 | -171.7 | 23.5 | 0 | 0 | 112 | Q137 K138 K139 K145 | Q137-Q141 VanDerWaalsContact O-CB 3.3Å; Q137-Q141 WeakPolarHBondContact O-CB 3.39Å; Q137-Q141 PolarHBondContact O-N 3.07Å; K138-Q141 PolarHBondContact O-N 3.38Å; K139-Q141 VanDerWaalsContact C-N 3.31Å; K139-Q141 PolarHBondContact O-N 3.23Å; Q141-K145 HydrophobicContact CG-CD 4.36Å; Q141-K145 WeakPolarHBondContact O-CB 3.48Å; Q141-K145 VanDerWaalsContact O-CG 3.23Å; Q141-K145 WeakPolarHBondContact O-CG 3.31Å; Q141-K145 PolarHBondContact O-N 3.4Å; Q141-K145 VanDerWaalsContact O-N 3.08Å |
| 142 | A | 95.8 | Very high | 93 | Very high | 59 Ų | 59 | 103.2 Ų | 103.2 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | K138 K139 L140 K145 L146 | K138-A142 WeakPolarHBondContact O-CB 3.48Å; K138-A142 PolarHBondContact O-N 3.04Å; K139-A142 WeakPolarHBondContact O-CB 3.36Å; K139-A142 PolarHBondContact O-N 3.36Å; K139-A142 VanDerWaalsContact O-N 3.11Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 2.72Å; A142-K145 PolarHBondContact O-N 3.04Å; A142-L146 WeakPolarHBondContact O-CB 3.32Å; A142-L146 PolarHBondContact O-N 3.47Å |
| 143 | E | 95.3 | Very high | 93.5 | Very high | 124 Ų | 124 | 100.4 Ų | 100.4 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -49.4 | 176.1 | -173.1 | -179.3 | 167.4 | 0 | 0 | 111.8 | K139 L140 K145 L146 A147 | K139-E143 PolarHBondContact O-N 3.42Å; L140-E143 PolarHBondContact O-N 3.46Å; E143-K145 VanDerWaalsContact C-N 3.31Å; E143-K145 PolarHBondContact O-N 2.82Å; E143-L146 WeakPolarHBondContact O-CB 3.41Å; E143-L146 PolarHBondContact O-N 3.28Å; E143-L146 VanDerWaalsContact O-N 3.12Å; E143-A147 WeakPolarHBondContact O-CB 3.45Å; E143-A147 PolarHBondContact O-N 3.49Å |
| 144 | A | 93.8 | Very high | 94.1 | Very high | 51 Ų | 51 | 98.3 Ų | 98.3 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L140 A147 L148 | L140-A144 WeakPolarHBondContact O-CB 3.38Å; L140-A144 PolarHBondContact O-N 2.91Å; A144-A147 PolarHBondContact O-N 3.32Å; A144-L148 WeakPolarHBondContact O-CB 3.45Å; A144-L148 WeakPolarHBondContact O-CG 3.5Å; A144-L148 PolarHBondContact O-N 2.89Å |
| 145 | K | 95.9 | Very high | 94.4 | Very high | 125 Ų | 125 | 95 Ų | 95 | 54% | 0.543 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 175.4 | -77.3 | 172.3 | -178.6 | 169.9 | 0 | 111.9 | Q141 A142 E143 A149 | Q141-K145 HydrophobicContact CG-CD 4.36Å; Q141-K145 WeakPolarHBondContact O-CB 3.48Å; Q141-K145 VanDerWaalsContact O-CG 3.23Å; Q141-K145 WeakPolarHBondContact O-CG 3.31Å; Q141-K145 PolarHBondContact O-N 3.4Å; Q141-K145 VanDerWaalsContact O-N 3.08Å; A142-K145 PolarHBondContact O-N 3.04Å; E143-K145 VanDerWaalsContact C-N 3.31Å; E143-K145 PolarHBondContact O-N 2.82Å; K145-A149 WeakPolarHBondContact O-CB 3.43Å; K145-A149 PolarHBondContact O-N 3.32Å |
| 146 | L | 96.4 | Very high | 94.6 | Very high | 98 Ų | 98 | 98.8 Ų | 98.8 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 177.2 | -176.3 | 64 | 0 | 0 | 0 | 111.2 | A142 E143 L148 A149 M150 | A142-L146 WeakPolarHBondContact O-CB 3.32Å; A142-L146 PolarHBondContact O-N 3.47Å; E143-L146 WeakPolarHBondContact O-CB 3.41Å; E143-L146 PolarHBondContact O-N 3.28Å; E143-L146 VanDerWaalsContact O-N 3.12Å; L146-L148 PolarHBondContact O-N 3.38Å; L146-A149 WeakPolarHBondContact O-CB 3.2Å; L146-A149 PolarHBondContact O-N 2.93Å; L146-A149 VanDerWaalsContact O-N 3.13Å; L146-M150 HydrophobicContact CD1-CE 3.68Å; L146-M150 HydrophobicContact CD1-SD 4.3Å; L146-M150 HydrophobicContact CD2-CE 4.28Å; L146-M150 HydrophobicContact CG-CE 3.96Å; L146-M150 HydrophobicContact CG-SD 4.07Å; L146-M150 WeakPolarHBondContact O-CG 3.5Å; L146-M150 PolarHBondContact O-N 2.87Å |
| 147 | A | 95.6 | Very high | 94.9 | Very high | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.1 | -46.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E143 A144 A149 M150 A151 | E143-A147 WeakPolarHBondContact O-CB 3.45Å; E143-A147 PolarHBondContact O-N 3.49Å; A144-A147 PolarHBondContact O-N 3.32Å; A147-A149 VanDerWaalsContact C-N 3.33Å; A147-A149 PolarHBondContact O-N 3.22Å; A147-M150 PolarHBondContact O-N 3.49Å; A147-A151 PolarHBondContact O-N 2.94Å |
| 148 | L | 94.6 | Very high | 95.1 | Very high | 135 Ų | 135 | 98.8 Ų | 98.8 | 71% | 0.707 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.8 | -39.8 | 175.2 | -78 | 169.2 | 0 | 0 | 0 | 112.7 | A144 L146 M150 | A144-L148 WeakPolarHBondContact O-CB 3.45Å; A144-L148 WeakPolarHBondContact O-CG 3.5Å; A144-L148 PolarHBondContact O-N 2.89Å; L146-L148 PolarHBondContact O-N 3.38Å; L148-M150 VanDerWaalsContact C-N 3.32Å; L148-M150 PolarHBondContact O-N 3.13Å |
| 149 | A | 96.6 | Very high | 95 | Very high | 69 Ų | 69 | 95.6 Ų | 95.6 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.5 | -34.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K145 L146 A147 P153 | K145-A149 WeakPolarHBondContact O-CB 3.43Å; K145-A149 PolarHBondContact O-N 3.32Å; L146-A149 WeakPolarHBondContact O-CB 3.2Å; L146-A149 PolarHBondContact O-N 2.93Å; L146-A149 VanDerWaalsContact O-N 3.13Å; A147-A149 VanDerWaalsContact C-N 3.33Å; A147-A149 PolarHBondContact O-N 3.22Å; A149-P153 VanDerWaalsContact O-CD 3.28Å; A149-P153 WeakPolarHBondContact O-CD 3.41Å |
| 150 | M | 96.8 | Very high | 95 | Very high | 106 Ų | 106 | 95.5 Ų | 95.5 | 52% | 0.522 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -81.6 | -24.8 | 179.7 | -70.9 | -179.7 | 168.9 | 0 | 0 | 113.9 | L146 A147 L148 K152 P153 M154 | L146-M150 HydrophobicContact CD1-CE 3.68Å; L146-M150 HydrophobicContact CD1-SD 4.3Å; L146-M150 HydrophobicContact CD2-CE 4.28Å; L146-M150 HydrophobicContact CG-CE 3.96Å; L146-M150 HydrophobicContact CG-SD 4.07Å; L146-M150 WeakPolarHBondContact O-CG 3.5Å; L146-M150 PolarHBondContact O-N 2.87Å; A147-M150 PolarHBondContact O-N 3.49Å; L148-M150 VanDerWaalsContact C-N 3.32Å; L148-M150 PolarHBondContact O-N 3.13Å; M150-K152 PolarHBondContact O-N 3.09Å; M150-P153 WeakPolarHBondContact O-CD 3.41Å; M150-P153 VanDerWaalsContact O-CG 3.23Å; M150-P153 WeakPolarHBondContact O-CG 3.35Å; M150-M154 WeakPolarHBondContact O-CB 3.44Å; M150-M154 PolarHBondContact O-N 3.37Å |
| 151 | A | 94.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 94.1 Ų | 94.1 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -55.2 | -49 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A147 M154 A155 | A147-A151 PolarHBondContact O-N 2.94Å; A151-M154 PolarHBondContact O-N 3.07Å; A151-A155 WeakPolarHBondContact O-CB 3.4Å; A151-A155 PolarHBondContact O-N 2.95Å |
| 152 | K | 95 | Very high | 94.6 | Very high | 152 Ų | 152 | 93.3 Ų | 93.3 | 66% | 0.661 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.9 | -49.8 | -178.9 | -174.1 | 174.8 | -174.1 | 172.3 | 0 | 114.2 | M150 M154 A155 K156 | M150-K152 PolarHBondContact O-N 3.09Å; K152-M154 VanDerWaalsContact C-N 3.32Å; K152-A155 PolarHBondContact O-N 3.5Å; K152-K156 PolarHBondContact O-N 2.96Å; K152-K156 VanDerWaalsContact O-N 3.13Å |
| 153 | P | 97.1 | Very high | 94.1 | Very high | 72 Ų | 72 | 96.2 Ų | 96.2 | 47% | 0.468 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 176.1 | 22.8 | -31.7 | 0 | 0 | 0 | 112.1 | A149 M150 K156 M157 | A149-P153 VanDerWaalsContact O-CD 3.28Å; A149-P153 WeakPolarHBondContact O-CD 3.41Å; M150-P153 WeakPolarHBondContact O-CD 3.41Å; M150-P153 VanDerWaalsContact O-CG 3.23Å; M150-P153 WeakPolarHBondContact O-CG 3.35Å; P153-K156 PolarHBondContact O-N 3.38Å; P153-M157 WeakPolarHBondContact O-CB 3.18Å; P153-M157 PolarHBondContact O-N 3.32Å |
| 154 | M | 96.6 | Very high | 93.5 | Very high | 119 Ų | 119 | 97.2 Ų | 97.2 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 175.9 | -170.6 | 173.5 | 74.7 | 0 | 0 | 111.6 | M150 A151 K152 K156 M157 Q158 | M150-M154 WeakPolarHBondContact O-CB 3.44Å; M150-M154 PolarHBondContact O-N 3.37Å; A151-M154 PolarHBondContact O-N 3.07Å; K152-M154 VanDerWaalsContact C-N 3.32Å; M154-K156 VanDerWaalsContact C-N 3.35Å; M154-K156 PolarHBondContact O-N 2.93Å; M154-M157 HydrophobicContact CG-CE 4.39Å; M154-M157 WeakPolarHBondContact O-CB 3.23Å; M154-M157 PolarHBondContact O-N 3.47Å; M154-Q158 WeakPolarHBondContact O-CB 3.5Å; M154-Q158 PolarHBondContact O-N 3.17Å |
| 155 | A | 93.6 | Very high | 92.9 | Very high | 58 Ų | 58 | 100.7 Ų | 100.7 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A151 K152 Q158 V159 | A151-A155 WeakPolarHBondContact O-CB 3.4Å; A151-A155 PolarHBondContact O-N 2.95Å; K152-A155 PolarHBondContact O-N 3.5Å; A155-Q158 PolarHBondContact O-N 3.41Å; A155-V159 WeakPolarHBondContact O-CG2 3.48Å; A155-V159 PolarHBondContact O-N 3.14Å; A155-V159 VanDerWaalsContact O-N 3.14Å |
| 156 | K | 95.9 | Very high | 92 | Very high | 143 Ų | 143 | 100.3 Ų | 100.3 | 62% | 0.622 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 175 | -74.4 | -177.5 | 175.8 | -173.8 | 0 | 112.5 | K152 P153 M154 Q158 V159 E160 | K152-K156 PolarHBondContact O-N 2.96Å; K152-K156 VanDerWaalsContact O-N 3.13Å; P153-K156 PolarHBondContact O-N 3.38Å; M154-K156 VanDerWaalsContact C-N 3.35Å; M154-K156 PolarHBondContact O-N 2.93Å; K156-Q158 VanDerWaalsContact C-N 3.33Å; K156-V159 PolarHBondContact O-N 3.5Å; K156-E160 PolarHBondContact O-N 2.94Å |
| 157 | M | 96.4 | Very high | 90.7 | Very high | 122 Ų | 122 | 104.9 Ų | 104.9 | 60% | 0.601 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 176.9 | -179.7 | 173.9 | 65.5 | 0 | 0 | 110.5 | P153 M154 V159 E160 V161 | P153-M157 WeakPolarHBondContact O-CB 3.18Å; P153-M157 PolarHBondContact O-N 3.32Å; M154-M157 HydrophobicContact CG-CE 4.39Å; M154-M157 WeakPolarHBondContact O-CB 3.23Å; M154-M157 PolarHBondContact O-N 3.47Å; M157-V159 PolarHBondContact O-N 2.94Å; M157-E160 PolarHBondContact O-N 3.42Å; M157-E160 VanDerWaalsContact O-N 3.17Å; M157-V161 WeakPolarHBondContact O-CG2 3.28Å; M157-V161 PolarHBondContact O-N 3.46Å |
| 158 | Q | 94.4 | Very high | 89.5 | Confident | 99 Ų | 99 | 111.2 Ų | 111.2 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -56.4 | -46.9 | 176.8 | -175.9 | 61.1 | 26.2 | 0 | 0 | 112.1 | M154 A155 K156 E160 V161 E162 | M154-Q158 WeakPolarHBondContact O-CB 3.5Å; M154-Q158 PolarHBondContact O-N 3.17Å; A155-Q158 PolarHBondContact O-N 3.41Å; K156-Q158 VanDerWaalsContact C-N 3.33Å; Q158-E160 VanDerWaalsContact C-N 3.32Å; Q158-E160 PolarHBondContact O-N 3.13Å; Q158-V161 PolarHBondContact O-N 3.11Å; Q158-E162 WeakPolarHBondContact CG-OE1 3.46Å; Q158-E162 PolarHBondContact NE2-OE1 3.26Å; Q158-E162 WeakPolarHBondContact O-CG 3.15Å; Q158-E162 PolarHBondContact O-N 2.89Å |
| 159 | V | 90.9 | Very high | 88.6 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.3 | -38.4 | 177.8 | 172 | 0 | 0 | 0 | 0 | 112.3 | A155 K156 M157 K163 | A155-V159 WeakPolarHBondContact O-CG2 3.48Å; A155-V159 PolarHBondContact O-N 3.14Å; A155-V159 VanDerWaalsContact O-N 3.14Å; K156-V159 PolarHBondContact O-N 3.5Å; M157-V159 PolarHBondContact O-N 2.94Å; V159-K163 WeakPolarHBondContact O-CB 3.38Å; V159-K163 PolarHBondContact O-N 3.11Å |
| 160 | E | 91.5 | Very high | 87.8 | Confident | 84 Ų | 84 | 105.3 Ų | 105.3 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.6 | -35.9 | 177.6 | -166.1 | 64.1 | -144.4 | 0 | 0 | 111.8 | K156 M157 Q158 K163 Q164 | K156-E160 PolarHBondContact O-N 2.94Å; M157-E160 PolarHBondContact O-N 3.42Å; M157-E160 VanDerWaalsContact O-N 3.17Å; Q158-E160 VanDerWaalsContact C-N 3.32Å; Q158-E160 PolarHBondContact O-N 3.13Å; E160-K163 PolarHBondContact O-N 3.39Å; E160-K163 IonicContact OE1-NZ 2.85Å; E160-K163 PolarHBondContact OE1-NZ 2.99Å; E160-K163 IonicContact OE2-NZ 3.31Å; E160-K163 PolarHBondContact OE2-NZ 3.37Å; E160-Q164 WeakPolarHBondContact O-CG 3.41Å; E160-Q164 PolarHBondContact O-N 2.98Å |
| 161 | V | 92.4 | Very high | 87.3 | Confident | 60 Ų | 60 | 100.3 Ų | 100.3 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 173.3 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | M157 Q158 K163 Q164 N165 | M157-V161 WeakPolarHBondContact O-CG2 3.28Å; M157-V161 PolarHBondContact O-N 3.46Å; Q158-V161 PolarHBondContact O-N 3.11Å; V161-K163 VanDerWaalsContact C-N 3.3Å; V161-K163 PolarHBondContact O-N 2.83Å; V161-Q164 PolarHBondContact O-N 2.94Å; V161-Q164 VanDerWaalsContact O-N 3.15Å; V161-N165 WeakPolarHBondContact O-CB 3.45Å; V161-N165 PolarHBondContact O-N 2.97Å |
| 162 | E | 88.6 | Confident | 86.8 | Confident | 86 Ų | 86 | 99.8 Ų | 99.8 | 40% | 0.402 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 177.6 | -74.5 | 168.9 | -173.4 | 0 | 0 | 112.1 | Q158 Q164 N165 R166 | Q158-E162 WeakPolarHBondContact CG-OE1 3.46Å; Q158-E162 PolarHBondContact NE2-OE1 3.26Å; Q158-E162 WeakPolarHBondContact O-CG 3.15Å; Q158-E162 PolarHBondContact O-N 2.89Å; E162-Q164 VanDerWaalsContact C-N 3.32Å; E162-Q164 PolarHBondContact O-N 3.21Å; E162-N165 CarbonylContact O-C 3.57Å; E162-N165 PolarHBondContact O-N 3.08Å; E162-R166 WeakPolarHBondContact O-CG 3.43Å; E162-R166 PolarHBondContact O-N 3.04Å |
| 163 | K | 84.3 | Confident | 86.4 | Confident | 119 Ų | 119 | 99 Ų | 99 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 175.2 | -178.7 | -179.4 | 156.6 | -140.7 | 0 | 112.6 | V159 E160 V161 | V159-K163 WeakPolarHBondContact O-CB 3.38Å; V159-K163 PolarHBondContact O-N 3.11Å; E160-K163 PolarHBondContact O-N 3.39Å; E160-K163 IonicContact OE1-NZ 2.85Å; E160-K163 PolarHBondContact OE1-NZ 2.99Å; E160-K163 IonicContact OE2-NZ 3.31Å; E160-K163 PolarHBondContact OE2-NZ 3.37Å; V161-K163 VanDerWaalsContact C-N 3.3Å; V161-K163 PolarHBondContact O-N 2.83Å |
| 164 | Q | 82.3 | Confident | 85.9 | Confident | 145 Ų | 145 | 100.9 Ų | 100.9 | 68% | 0.678 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.3 | -33.2 | 174.5 | -70 | -179.4 | 12.9 | 0 | 0 | 112.4 | E160 V161 E162 R166 | E160-Q164 WeakPolarHBondContact O-CG 3.41Å; E160-Q164 PolarHBondContact O-N 2.98Å; V161-Q164 PolarHBondContact O-N 2.94Å; V161-Q164 VanDerWaalsContact O-N 3.15Å; E162-Q164 VanDerWaalsContact C-N 3.32Å; E162-Q164 PolarHBondContact O-N 3.21Å; Q164-R166 VanDerWaalsContact C-N 3.28Å; Q164-R166 PolarHBondContact O-N 3.42Å |
| 165 | N | 82.4 | Confident | 85.5 | Confident | 124 Ų | 124 | 95.9 Ų | 95.9 | 66% | 0.663 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 4.2 | -179.5 | -72.4 | -17.9 | 0 | 0 | 0 | 114.2 | V161 E162 K167 | V161-N165 WeakPolarHBondContact O-CB 3.45Å; V161-N165 PolarHBondContact O-N 2.97Å; E162-N165 CarbonylContact O-C 3.57Å; E162-N165 PolarHBondContact O-N 3.08Å; N165-K167 PolarHBondContact O-N 2.91Å |
| 166 | R | 77.1 | Confident | 84.9 | Confident | 118 Ų | 118 | 97.1 Ų | 97.1 | 45% | 0.445 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -58 | 134 | 175.4 | -72.2 | -177.3 | 172.6 | -134 | -15.8 | 110 | E162 Q164 K168 L217 E220 | E162-R166 WeakPolarHBondContact O-CG 3.43Å; E162-R166 PolarHBondContact O-N 3.04Å; Q164-R166 VanDerWaalsContact C-N 3.28Å; Q164-R166 PolarHBondContact O-N 3.42Å; R166-K168 PolarHBondContact O-N 3.06Å; R166-L217 VanDerWaalsContact NH1-CD2 3.28Å; R166-E220 IonicContact NH2-OE2 3.91Å |
| 167 | K | 68.7 | Low | 84.4 | Confident | 193 Ų | 193 | 98.7 Ų | 98.7 | 84% | 0.839 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 133.9 | -179.3 | -64.3 | 178.6 | -176.8 | 174.8 | 0 | 109.6 | N165 S169 | N165-K167 PolarHBondContact O-N 2.91Å; K167-S169 PolarHBondContact O-N 3.33Å |
| 168 | K | 69.9 | Low | 83.8 | Confident | 193 Ų | 193 | 95.8 Ų | 95.8 | 84% | 0.839 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -61 | 135 | 174.2 | -63.9 | 179.6 | -177.8 | 177.6 | 0 | 108.4 | R166 | R166-K168 PolarHBondContact O-N 3.06Š|
| 169 | S | 76.6 | Confident | 83.3 | Confident | 6 Ų | 6 | 95.2 Ų | 95.2 | 4% | 0.042 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 129.9 | -176.6 | 160.3 | 0 | 0 | 0 | 0 | 109.2 | K167 V171 A172 D209 | K167-S169 PolarHBondContact O-N 3.33Å; S169-V171 PolarHBondContact O-N 2.95Å; S169-V171 VanDerWaalsContact OG-CB 3.23Å; S169-V171 WeakPolarHBondContact OG-CB 3.41Å; S169-V171 VanDerWaalsContact OG-CG2 3.3Å; S169-V171 WeakPolarHBondContact OG-CG2 3.12Å; S169-V171 PolarHBondContact OG-N 2.87Å; S169-V171 VanDerWaalsContact OG-N 3.13Å; S169-A172 WeakPolarHBondContact O-CB 3.4Å; S169-A172 PolarHBondContact O-N 2.96Å; S169-D209 PolarHBondContact OG-OD1 2.91Å; S169-D209 PolarHBondContact OG-OD2 3.05Å |
| 170 | P | 78.9 | Confident | 83.1 | Confident | 74 Ų | 74 | 94.7 Ų | 94.7 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -22.9 | 170.5 | -27.4 | 30.2 | 0 | 0 | 0 | 114.3 | A172 D173 L174 D209 | P170-A172 PolarHBondContact O-N 3.12Å; P170-D173 PolarHBondContact O-N 3.36Å; P170-L174 WeakPolarHBondContact O-CG 3.48Å; P170-L174 PolarHBondContact O-N 2.96Å; P170-D209 VanDerWaalsContact CD-OD1 3.31Å; P170-D209 WeakPolarHBondContact CD-OD1 3.26Å |
| 171 | V | 85.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 90.7 Ų | 90.7 | 1% | 0.006 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.5 | -31.3 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | S169 D173 L174 L175 I181 L185 V205 I206 D209 | S169-V171 PolarHBondContact O-N 2.95Å; S169-V171 VanDerWaalsContact OG-CB 3.23Å; S169-V171 WeakPolarHBondContact OG-CB 3.41Å; S169-V171 VanDerWaalsContact OG-CG2 3.3Å; S169-V171 WeakPolarHBondContact OG-CG2 3.12Å; S169-V171 PolarHBondContact OG-N 2.87Å; S169-V171 VanDerWaalsContact OG-N 3.13Å; V171-D173 PolarHBondContact O-N 3.43Å; V171-L174 PolarHBondContact O-N 3.41Å; V171-L175 HydrophobicContact CG1-CB 4.25Å; V171-L175 HydrophobicContact CG1-CD1 3.65Å; V171-L175 HydrophobicContact CG1-CG 4.06Å; V171-L175 WeakPolarHBondContact O-CB 3.37Å; V171-L175 PolarHBondContact O-N 2.9Å; V171-I181 HydrophobicContact CG1-CG2 4.34Å; V171-L185 HydrophobicContact CB-CD1 4.04Å; V171-L185 HydrophobicContact CG1-CD1 3.88Å; V171-L185 HydrophobicContact CG2-CD1 3.97Å; V171-V205 HydrophobicContact CG2-CG1 4.26Å; V171-I206 HydrophobicContact CG1-CG1 4.2Å; V171-D209 HydrophobicContact CG2-CB 3.27Å; V171-D209 VanDerWaalsContact CG2-OD2 3.32Å; V171-D209 WeakPolarHBondContact CG2-OD2 3.43Å |
| 172 | A | 84.6 | Confident | 82.8 | Confident | 36 Ų | 36 | 89 Ų | 89 | 30% | 0.298 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.4 | -35.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S169 P170 | S169-A172 WeakPolarHBondContact O-CB 3.4Å; S169-A172 PolarHBondContact O-N 2.96Å; P170-A172 PolarHBondContact O-N 3.12Å |
| 173 | D | 86.1 | Confident | 82.7 | Confident | 135 Ų | 135 | 90 Ų | 90 | 72% | 0.722 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -84 | -34.4 | -179.4 | -60.4 | -32.1 | 0 | 0 | 0 | 111.9 | P170 V171 P176 | P170-D173 PolarHBondContact O-N 3.36Å; V171-D173 PolarHBondContact O-N 3.43Å; D173-P176 WeakPolarHBondContact O-CD 3.46Å |
| 174 | L | 86.8 | Confident | 83 | Confident | 113 Ų | 113 | 85.5 Ų | 85.5 | 59% | 0.592 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -83.4 | -24.7 | -177.8 | -65.5 | 173 | 0 | 0 | 0 | 113.4 | P170 V171 P176 V205 | P170-L174 WeakPolarHBondContact O-CG 3.48Å; P170-L174 PolarHBondContact O-N 2.96Å; V171-L174 PolarHBondContact O-N 3.41Å; L174-P176 WeakPolarHBondContact O-CD 3.39Å; L174-V205 HydrophobicContact CB-CG1 3.79Å; L174-V205 HydrophobicContact CD1-CG1 3.72Å; L174-V205 HydrophobicContact CG-CG1 4.43Å |
| 175 | L | 87.8 | Confident | 83.3 | Confident | 14 Ų | 14 | 78.9 Ų | 78.9 | 7% | 0.073 | 40% | 0.403 | C | S | . | . | trans | -120.2 | 59.5 | 174.9 | -59.4 | -177.2 | 0 | 0 | 0 | 111.8 | V171 H177 M178 M198 Q202 V205 I206 | V171-L175 HydrophobicContact CG1-CB 4.25Å; V171-L175 HydrophobicContact CG1-CD1 3.65Å; V171-L175 HydrophobicContact CG1-CG 4.06Å; V171-L175 WeakPolarHBondContact O-CB 3.37Å; V171-L175 PolarHBondContact O-N 2.9Å; L175-H177 PolarHBondContact O-N 3.5Å; L175-M178 PolarHBondContact O-N 2.85Å; L175-M198 HydrophobicContact CD1-CE 3.59Å; L175-Q202 HydrophobicContact CD1-CB 4.5Å; L175-Q202 HydrophobicContact CD2-CB 3.7Å; L175-Q202 HydrophobicContact CD2-CG 3.58Å; L175-V205 HydrophobicContact CG-CG1 4.44Å; L175-I206 HydrophobicContact CD1-CD1 4.14Å; L175-I206 HydrophobicContact CD1-CG1 3.95Å | ||
| 176 | P | 81.9 | Confident | 83.4 | Confident | 84 Ų | 84 | 77 Ų | 77 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.2 | -171.3 | 24.5 | -31.9 | 0 | 0 | 0 | 113.6 | D173 L174 M178 | D173-P176 WeakPolarHBondContact O-CD 3.46Å; L174-P176 WeakPolarHBondContact O-CD 3.39Å; P176-M178 VanDerWaalsContact C-N 3.28Å; P176-M178 PolarHBondContact O-N 3.13Å |
| 177 | H | 84.6 | Confident | 83.9 | Confident | 176 Ų | 176 | 77.8 Ų | 77.8 | 82% | 0.815 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -5.6 | 178 | -68.8 | 56.6 | 0 | 0 | 0 | 113.2 | L175 | L175-H177 PolarHBondContact O-N 3.5Š|
| 178 | M | 85.2 | Confident | 84.8 | Confident | 60 Ų | 60 | 77.8 Ų | 77.8 | 30% | 0.296 | 39% | 0.393 | S | S | . | . | trans | -131.8 | 60.7 | -173.9 | -60.8 | -67.6 | -83.7 | 0 | 0 | 112.1 | L175 P176 H180 I181 | L175-M178 PolarHBondContact O-N 2.85Å; P176-M178 VanDerWaalsContact C-N 3.28Å; P176-M178 PolarHBondContact O-N 3.13Å; M178-H180 WeakPolarHBondContact CE-CE1 3.32Å; M178-H180 PolarHBondContact O-N 3.39Å; M178-H180 VanDerWaalsContact SD-CE1 3.6Å; M178-I181 HydrophobicContact CB-CB 4.38Å; M178-I181 HydrophobicContact CB-CG1 3.71Å; M178-I181 HydrophobicContact CE-CG1 4.38Å; M178-I181 VanDerWaalsContact O-CB 3.31Å; M178-I181 WeakPolarHBondContact O-CB 3.43Å; M178-I181 PolarHBondContact O-N 2.87Å | ||
| 179 | P | 82.7 | Confident | 85.9 | Confident | 88 Ų | 88 | 71.1 Ų | 71.1 | 57% | 0.571 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.2 | -23.9 | -173.6 | 26.3 | -35.7 | 0 | 0 | 0 | 114.1 | I181 S182 | P179-I181 PolarHBondContact O-N 3.05Å; P179-S182 PolarHBondContact O-N 3.43Å; P179-S182 PolarHBondContact O-OG 3.44Å |
| 180 | H | 88.1 | Confident | 86.6 | Confident | 80 Ų | 80 | 73 Ų | 73 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.5 | -25 | 175.2 | 60.9 | -82.7 | 0 | 0 | 0 | 112.6 | M178 C184 | M178-H180 WeakPolarHBondContact CE-CE1 3.32Å; M178-H180 PolarHBondContact O-N 3.39Å; M178-H180 VanDerWaalsContact SD-CE1 3.6Å; H180-C184 WeakPolarHBondContact O-CB 3.39Å; H180-C184 PolarHBondContact O-N 3.47Å; H180-C184 PolarHBondContact O-SG 2.9Å; H180-C184 VanDerWaalsContact O-SG 3.36Å |
| 181 | I | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.3 | -42.9 | 179.3 | -62.1 | -63.4 | 0 | 0 | 0 | 110.7 | V171 M178 P179 E183 C184 L185 L190 D194 I206 | V171-I181 HydrophobicContact CG1-CG2 4.34Å; M178-I181 HydrophobicContact CB-CB 4.38Å; M178-I181 HydrophobicContact CB-CG1 3.71Å; M178-I181 HydrophobicContact CE-CG1 4.38Å; M178-I181 VanDerWaalsContact O-CB 3.31Å; M178-I181 WeakPolarHBondContact O-CB 3.43Å; M178-I181 PolarHBondContact O-N 2.87Å; P179-I181 PolarHBondContact O-N 3.05Å; I181-E183 VanDerWaalsContact C-N 3.33Å; I181-E183 PolarHBondContact O-N 2.97Å; I181-C184 PolarHBondContact O-N 3.1Å; I181-L185 HydrophobicContact CG2-CD1 3.98Å; I181-L185 HydrophobicContact CG2-CG 4.48Å; I181-L185 WeakPolarHBondContact O-CB 3.49Å; I181-L185 VanDerWaalsContact O-CG 3.32Å; I181-L185 WeakPolarHBondContact O-CG 3.48Å; I181-L185 PolarHBondContact O-N 3.28Å; I181-L190 HydrophobicContact CD1-CD2 4Å; I181-L190 HydrophobicContact CG2-CD2 4.21Å; I181-D194 HydrophobicContact CD1-CB 3.69Å; I181-I206 HydrophobicContact CG2-CD1 3.78Å; I181-I206 HydrophobicContact CG2-CG1 4.37Å |
| 182 | S | 86.6 | Confident | 87.5 | Confident | 25 Ų | 25 | 81.3 Ų | 81.3 | 18% | 0.175 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 178.9 | 65.7 | 0 | 0 | 0 | 0 | 111.7 | P179 L185 M186 | P179-S182 PolarHBondContact O-N 3.43Å; P179-S182 PolarHBondContact O-OG 3.44Å; S182-L185 PolarHBondContact O-N 3.44Å; S182-M186 VanDerWaalsContact O-CG 3.31Å; S182-M186 WeakPolarHBondContact O-CG 3.35Å; S182-M186 PolarHBondContact O-N 2.94Å |
| 183 | E | 86.9 | Confident | 87.8 | Confident | 105 Ų | 105 | 83.8 Ų | 83.8 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 173.5 | -172.1 | -178.7 | 176.2 | 0 | 0 | 112 | I181 L185 M186 K187 | I181-E183 VanDerWaalsContact C-N 3.33Å; I181-E183 PolarHBondContact O-N 2.97Å; E183-L185 VanDerWaalsContact C-N 3.28Å; E183-L185 PolarHBondContact O-N 3.14Å; E183-M186 PolarHBondContact O-N 2.91Å; E183-K187 HydrophobicContact CG-CD 4.16Å; E183-K187 WeakPolarHBondContact O-CB 3.47Å; E183-K187 WeakPolarHBondContact O-CG 3.3Å; E183-K187 PolarHBondContact O-N 2.99Å; E183-K187 WeakPolarHBondContact OE1-CE 3.44Å; E183-K187 IonicContact OE1-NZ 2.6Å; E183-K187 PolarHBondContact OE1-NZ 3Å |
| 184 | C | 90.2 | Very high | 88.1 | Confident | 26 Ų | 26 | 79 Ų | 79 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.5 | -36.2 | 175.1 | -77.9 | 0 | 0 | 0 | 0 | 112.2 | H180 I181 K187 R188 S189 L190 | H180-C184 WeakPolarHBondContact O-CB 3.39Å; H180-C184 PolarHBondContact O-N 3.47Å; H180-C184 PolarHBondContact O-SG 2.9Å; H180-C184 VanDerWaalsContact O-SG 3.36Å; I181-C184 PolarHBondContact O-N 3.1Å; C184-K187 CarbonylContact O-C 3.59Å; C184-K187 PolarHBondContact O-N 3.49Å; C184-R188 PolarHBondContact O-N 3.12Å; C184-S189 PolarHBondContact O-N 3.27Å; C184-L190 HydrophobicContact CB-CD2 3.75Å; C184-L190 HydrophobicContact CB-CG 3.98Å |
| 185 | L | 88.5 | Confident | 88.3 | Confident | 5 Ų | 5 | 76.2 Ų | 76.2 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 174.3 | -80.3 | 166.5 | 0 | 0 | 0 | 111.5 | V171 I181 S182 E183 K187 R188 L190 I206 L210 | V171-L185 HydrophobicContact CB-CD1 4.04Å; V171-L185 HydrophobicContact CG1-CD1 3.88Å; V171-L185 HydrophobicContact CG2-CD1 3.97Å; I181-L185 HydrophobicContact CG2-CD1 3.98Å; I181-L185 HydrophobicContact CG2-CG 4.48Å; I181-L185 WeakPolarHBondContact O-CB 3.49Å; I181-L185 VanDerWaalsContact O-CG 3.32Å; I181-L185 WeakPolarHBondContact O-CG 3.48Å; I181-L185 PolarHBondContact O-N 3.28Å; S182-L185 PolarHBondContact O-N 3.44Å; E183-L185 VanDerWaalsContact C-N 3.28Å; E183-L185 PolarHBondContact O-N 3.14Å; L185-K187 VanDerWaalsContact C-N 3.25Å; L185-K187 PolarHBondContact O-N 3.49Å; L185-R188 PolarHBondContact O-N 2.88Å; L185-L190 HydrophobicContact CD2-CD1 3.27Å; L185-L190 HydrophobicContact CD2-CG 4.23Å; L185-L190 HydrophobicContact CG-CD1 3.67Å; L185-L190 HydrophobicContact CG-CG 4.22Å; L185-I206 HydrophobicContact CD1-CG2 4.48Å; L185-I206 HydrophobicContact CD2-CG2 4.13Å; L185-L210 HydrophobicContact CD2-CD1 4.25Å; L185-L210 HydrophobicContact CD2-CD2 3.58Å; L185-L210 HydrophobicContact CD2-CG 3.92Å |
| 186 | M | 84.2 | Confident | 88.5 | Confident | 84 Ų | 84 | 85.1 Ų | 85.1 | 41% | 0.414 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 177 | -72.9 | -68.9 | 145.8 | 0 | 0 | 112.4 | S182 E183 R188 | S182-M186 VanDerWaalsContact O-CG 3.31Å; S182-M186 WeakPolarHBondContact O-CG 3.35Å; S182-M186 PolarHBondContact O-N 2.94Å; E183-M186 PolarHBondContact O-N 2.91Å; M186-R188 VanDerWaalsContact C-N 3.32Å |
| 187 | K | 87.1 | Confident | 88.9 | Confident | 135 Ų | 135 | 88.5 Ų | 88.5 | 59% | 0.587 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.4 | 178.4 | -67.9 | 177.3 | 178.9 | 175.6 | 0 | 113.8 | E183 C184 L185 S189 | E183-K187 HydrophobicContact CG-CD 4.16Å; E183-K187 WeakPolarHBondContact O-CB 3.47Å; E183-K187 WeakPolarHBondContact O-CG 3.3Å; E183-K187 PolarHBondContact O-N 2.99Å; E183-K187 WeakPolarHBondContact OE1-CE 3.44Å; E183-K187 IonicContact OE1-NZ 2.6Å; E183-K187 PolarHBondContact OE1-NZ 3Å; C184-K187 CarbonylContact O-C 3.59Å; C184-K187 PolarHBondContact O-N 3.49Å; L185-K187 VanDerWaalsContact C-N 3.25Å; L185-K187 PolarHBondContact O-N 3.49Å; K187-S189 PolarHBondContact O-N 3.02Å |
| 188 | R | 88.9 | Confident | 89.2 | Confident | 193 Ų | 193 | 81.1 Ų | 81.1 | 73% | 0.728 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 41.3 | -173.4 | -58.1 | 178.7 | 176.9 | 168.5 | -2.8 | 112.6 | C184 L185 M186 | C184-R188 PolarHBondContact O-N 3.12Å; L185-R188 PolarHBondContact O-N 2.88Å; M186-R188 VanDerWaalsContact C-N 3.32Å |
| 189 | S | 91.6 | Very high | 89.7 | Confident | 53 Ų | 53 | 82.2 Ų | 82.2 | 37% | 0.371 | 41% | 0.414 | S | S | . | . | trans | -123.7 | 20.7 | -171.7 | 68.8 | 0 | 0 | 0 | 0 | 114 | C184 K187 | C184-S189 PolarHBondContact O-N 3.27Å; K187-S189 PolarHBondContact O-N 3.02Å | ||
| 190 | L | 91.2 | Very high | 90.3 | Very high | 47 Ų | 47 | 84.9 Ų | 84.9 | 25% | 0.246 | 42% | 0.423 | C | S | . | . | trans | -58.5 | 136.8 | 175.4 | -85 | 173.9 | 0 | 0 | 0 | 111.7 | I181 C184 L185 D194 L195 I206 | I181-L190 HydrophobicContact CD1-CD2 4Å; I181-L190 HydrophobicContact CG2-CD2 4.21Å; C184-L190 HydrophobicContact CB-CD2 3.75Å; C184-L190 HydrophobicContact CB-CG 3.98Å; L185-L190 HydrophobicContact CD2-CD1 3.27Å; L185-L190 HydrophobicContact CD2-CG 4.23Å; L185-L190 HydrophobicContact CG-CD1 3.67Å; L185-L190 HydrophobicContact CG-CG 4.22Å; L190-D194 HydrophobicContact CD2-CB 4.32Å; L190-L195 HydrophobicContact CD2-CD2 4.37Å; L190-I206 HydrophobicContact CD1-CG2 4.33Å | ||
| 191 | K | 92.1 | Very high | 90.6 | Very high | 132 Ų | 132 | 83.3 Ų | 83.3 | 57% | 0.574 | 43% | 0.428 | S | S | * | . | trans | -110.9 | 154.9 | 176.6 | -60.6 | 174.8 | -174.5 | 168.7 | 0 | 110.8 | T193 D194 | K191-T193 WeakPolarHBondContact CB-OG1 3.48Å; K191-T193 PolarHBondContact O-N 3.01Å; K191-T193 VanDerWaalsContact O-N 3.15Å; K191-D194 WeakPolarHBondContact CB-OD2 3.44Å; K191-D194 PolarHBondContact N-OD2 3.3Å; K191-D194 WeakPolarHBondContact O-CB 3.18Å; K191-D194 PolarHBondContact O-N 3.35Å | ||
| 192 | P | 91.8 | Very high | 90.7 | Very high | 116 Ų | 116 | 86.4 Ų | 86.4 | 75% | 0.753 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -58.5 | -28.2 | 175 | -24.7 | 34.3 | 0 | 0 | 0 | 113.8 | D194 L195 R196 | P192-D194 VanDerWaalsContact C-N 3.27Å; P192-D194 PolarHBondContact O-N 2.96Å; P192-L195 PolarHBondContact O-N 2.95Å; P192-R196 PolarHBondContact O-N 3.01Å |
| 193 | T | 91.7 | Very high | 91.1 | Very high | 88 Ų | 88 | 87.8 Ų | 87.8 | 54% | 0.54 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -64 | -33.7 | 175.2 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | K191 L195 | K191-T193 WeakPolarHBondContact CB-OG1 3.48Å; K191-T193 PolarHBondContact O-N 3.01Å; K191-T193 VanDerWaalsContact O-N 3.15Å; T193-L195 PolarHBondContact O-N 3.11Å |
| 194 | D | 91.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 87.1 Ų | 87.1 | 19% | 0.193 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -73.1 | -18.6 | -175.7 | -49.2 | -22.8 | 0 | 0 | 0 | 111.4 | I181 L190 K191 P192 | I181-D194 HydrophobicContact CD1-CB 3.69Å; L190-D194 HydrophobicContact CD2-CB 4.32Å; K191-D194 WeakPolarHBondContact CB-OD2 3.44Å; K191-D194 PolarHBondContact N-OD2 3.3Å; K191-D194 WeakPolarHBondContact O-CB 3.18Å; K191-D194 PolarHBondContact O-N 3.35Å; P192-D194 VanDerWaalsContact C-N 3.27Å; P192-D194 PolarHBondContact O-N 2.96Å |
| 195 | L | 91.9 | Very high | 91.7 | Very high | 53 Ų | 53 | 87.6 Ų | 87.6 | 28% | 0.277 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -104.4 | -9.3 | -175 | -57.7 | -178.4 | 0 | 0 | 0 | 113.6 | L190 P192 T193 D197 M198 L203 I206 | L190-L195 HydrophobicContact CD2-CD2 4.37Å; P192-L195 PolarHBondContact O-N 2.95Å; T193-L195 PolarHBondContact O-N 3.11Å; L195-D197 VanDerWaalsContact C-N 3.35Å; L195-D197 PolarHBondContact O-N 3.49Å; L195-M198 HydrophobicContact CD2-SD 3.63Å; L195-M198 WeakPolarHBondContact O-CB 3.21Å; L195-M198 PolarHBondContact O-N 3.49Å; L195-L203 HydrophobicContact CB-CD2 3.95Å; L195-L203 HydrophobicContact CD2-CD2 4.09Å; L195-L203 HydrophobicContact CG-CD2 4.41Å; L195-I206 HydrophobicContact CD2-CD1 3.68Å |
| 196 | R | 90.9 | Very high | 91.9 | Very high | 202 Ų | 202 | 87.7 Ų | 87.7 | 76% | 0.762 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -34.7 | -163.8 | -159.2 | 174.9 | -155.2 | 143.9 | 4.8 | 114 | P192 | P192-R196 PolarHBondContact O-N 3.01Š|
| 197 | D | 90.1 | Very high | 92.3 | Very high | 155 Ų | 155 | 86.4 Ų | 86.4 | 83% | 0.829 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 13.7 | -175.7 | -57.5 | -40.7 | 0 | 0 | 0 | 112.3 | L195 | L195-D197 VanDerWaalsContact C-N 3.35Å; L195-D197 PolarHBondContact O-N 3.49Å |
| 198 | M | 92.3 | Very high | 92.7 | Very high | 21 Ų | 21 | 83.7 Ų | 83.7 | 10% | 0.103 | 44% | 0.436 | C | S | . | . | trans | -85.5 | 144.3 | -179.3 | -63.2 | -171.5 | 65.6 | 0 | 0 | 111.7 | L175 L195 Q202 L203 I206 | L175-M198 HydrophobicContact CD1-CE 3.59Å; L195-M198 HydrophobicContact CD2-SD 3.63Å; L195-M198 WeakPolarHBondContact O-CB 3.21Å; L195-M198 PolarHBondContact O-N 3.49Å; M198-Q202 HydrophobicContact CB-CB 4.33Å; M198-Q202 HydrophobicContact CE-CB 3.36Å; M198-Q202 HydrophobicContact CE-CG 4.46Å; M198-L203 HydrophobicContact CB-CD2 3.83Å; M198-L203 HydrophobicContact CB-CG 3.87Å; M198-L203 HydrophobicContact CG-CD2 4.44Å; M198-L203 HydrophobicContact SD-CD2 4.01Å; M198-I206 HydrophobicContact CE-CD1 3.45Å; M198-I206 VanDerWaalsContact CE-CD1 3.45Å; M198-I206 HydrophobicContact CE-CG1 4.32Å; M198-I206 HydrophobicContact SD-CD1 3.69Å | ||
| 199 | T | 94.8 | Very high | 92.8 | Very high | 83 Ų | 83 | 75.1 Ų | 75.1 | 51% | 0.509 | 40% | 0.404 | S | S | . | . | trans | -72.7 | 157.9 | 171.9 | 74.7 | 0 | 0 | 0 | 0 | 110.6 | G201 Q202 L203 | T199-G201 PolarHBondContact O-N 2.91Å; T199-Q202 PolarHBondContact O-N 2.91Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.42Å; T199-Q202 PolarHBondContact OG1-N 3.41Å; T199-L203 PolarHBondContact O-N 2.95Å | ||
| 200 | L | 95.2 | Very high | 92.9 | Very high | 144 Ų | 144 | 75.7 Ų | 75.7 | 75% | 0.754 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -52.6 | -40.8 | 175.8 | -179.6 | 63.2 | 0 | 0 | 0 | 112.1 | L203 Q204 | L200-L203 PolarHBondContact O-N 3.21Å; L200-Q204 WeakPolarHBondContact O-CB 3.49Å; L200-Q204 PolarHBondContact O-N 3.39Å |
| 201 | G | 94.8 | Very high | 93 | Very high | 46 Ų | 46 | 78.3 Ų | 78.3 | 47% | 0.474 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | T199 Q204 V205 | T199-G201 PolarHBondContact O-N 2.91Å; G201-Q204 WeakPolarHBondContact O-CB 3.34Å; G201-Q204 PolarHBondContact O-N 3.34Å; G201-V205 WeakPolarHBondContact O-CG2 3.35Å; G201-V205 PolarHBondContact O-N 3.08Å; G201-V205 VanDerWaalsContact O-N 3.07Å |
| 202 | Q | 93.6 | Very high | 93.1 | Very high | 65 Ų | 65 | 75.2 Ų | 75.2 | 30% | 0.304 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.9 | -38 | 178.1 | -62.1 | 170.6 | -41 | 0 | 0 | 111.9 | L175 M198 T199 Q204 V205 I206 | L175-Q202 HydrophobicContact CD1-CB 4.5Å; L175-Q202 HydrophobicContact CD2-CB 3.7Å; L175-Q202 HydrophobicContact CD2-CG 3.58Å; M198-Q202 HydrophobicContact CB-CB 4.33Å; M198-Q202 HydrophobicContact CE-CB 3.36Å; M198-Q202 HydrophobicContact CE-CG 4.46Å; T199-Q202 PolarHBondContact O-N 2.91Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.42Å; T199-Q202 PolarHBondContact OG1-N 3.41Å; Q202-Q204 VanDerWaalsContact C-N 3.32Å; Q202-V205 WeakPolarHBondContact O-CB 3.47Å; Q202-V205 PolarHBondContact O-N 3.47Å; Q202-I206 PolarHBondContact O-N 3.22Å |
| 203 | L | 94.1 | Very high | 93 | Very high | 54 Ų | 54 | 71.6 Ų | 71.6 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 172.5 | -67.3 | 173.8 | 0 | 0 | 0 | 111.3 | L195 M198 T199 L200 V205 I206 V207 | L195-L203 HydrophobicContact CB-CD2 3.95Å; L195-L203 HydrophobicContact CD2-CD2 4.09Å; L195-L203 HydrophobicContact CG-CD2 4.41Å; M198-L203 HydrophobicContact CB-CD2 3.83Å; M198-L203 HydrophobicContact CB-CG 3.87Å; M198-L203 HydrophobicContact CG-CD2 4.44Å; M198-L203 HydrophobicContact SD-CD2 4.01Å; T199-L203 PolarHBondContact O-N 2.95Å; L200-L203 PolarHBondContact O-N 3.21Å; L203-V205 VanDerWaalsContact C-N 3.32Å; L203-V205 PolarHBondContact O-N 3.39Å; L203-I206 PolarHBondContact O-N 2.88Å; L203-V207 WeakPolarHBondContact O-CG2 3.47Å; L203-V207 PolarHBondContact O-N 2.98Å |
| 204 | Q | 95.3 | Very high | 93.1 | Very high | 91 Ų | 91 | 71.8 Ų | 71.8 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 175.9 | -170.5 | 64.6 | 49.5 | 0 | 0 | 112 | L200 G201 Q202 I206 V207 N208 | L200-Q204 WeakPolarHBondContact O-CB 3.49Å; L200-Q204 PolarHBondContact O-N 3.39Å; G201-Q204 WeakPolarHBondContact O-CB 3.34Å; G201-Q204 PolarHBondContact O-N 3.34Å; Q202-Q204 VanDerWaalsContact C-N 3.32Å; Q204-I206 VanDerWaalsContact C-N 3.34Å; Q204-I206 PolarHBondContact O-N 3.44Å; Q204-V207 PolarHBondContact O-N 3.03Å; Q204-N208 PolarHBondContact NE2-OD1 3.33Å; Q204-N208 WeakPolarHBondContact O-CB 3.3Å; Q204-N208 PolarHBondContact O-N 3.35Å; Q204-N208 PolarHBondContact O-OD1 3.5Å |
| 205 | V | 93.8 | Very high | 93.3 | Very high | 37 Ų | 37 | 75.8 Ų | 75.8 | 22% | 0.224 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 173.9 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | V171 L174 L175 G201 Q202 L203 N208 D209 | V171-V205 HydrophobicContact CG2-CG1 4.26Å; L174-V205 HydrophobicContact CB-CG1 3.79Å; L174-V205 HydrophobicContact CD1-CG1 3.72Å; L174-V205 HydrophobicContact CG-CG1 4.43Å; L175-V205 HydrophobicContact CG-CG1 4.44Å; G201-V205 WeakPolarHBondContact O-CG2 3.35Å; G201-V205 PolarHBondContact O-N 3.08Å; G201-V205 VanDerWaalsContact O-N 3.07Å; Q202-V205 WeakPolarHBondContact O-CB 3.47Å; Q202-V205 PolarHBondContact O-N 3.47Å; L203-V205 VanDerWaalsContact C-N 3.32Å; L203-V205 PolarHBondContact O-N 3.39Å; V205-N208 PolarHBondContact O-N 2.96Å; V205-D209 WeakPolarHBondContact O-CB 3.38Å; V205-D209 PolarHBondContact O-N 3.21Å |
| 206 | I | 92.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 76.1 Ų | 76.1 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 176.4 | -67 | 175.2 | 0 | 0 | 0 | 111.3 | V171 L175 I181 L185 L190 L195 M198 Q202 L203 Q204 N208 D209 L210 | V171-I206 HydrophobicContact CG1-CG1 4.2Å; L175-I206 HydrophobicContact CD1-CD1 4.14Å; L175-I206 HydrophobicContact CD1-CG1 3.95Å; I181-I206 HydrophobicContact CG2-CD1 3.78Å; I181-I206 HydrophobicContact CG2-CG1 4.37Å; L185-I206 HydrophobicContact CD1-CG2 4.48Å; L185-I206 HydrophobicContact CD2-CG2 4.13Å; L190-I206 HydrophobicContact CD1-CG2 4.33Å; L195-I206 HydrophobicContact CD2-CD1 3.68Å; M198-I206 HydrophobicContact CE-CD1 3.45Å; M198-I206 VanDerWaalsContact CE-CD1 3.45Å; M198-I206 HydrophobicContact CE-CG1 4.32Å; M198-I206 HydrophobicContact SD-CD1 3.69Å; Q202-I206 PolarHBondContact O-N 3.22Å; L203-I206 PolarHBondContact O-N 2.88Å; Q204-I206 VanDerWaalsContact C-N 3.34Å; Q204-I206 PolarHBondContact O-N 3.44Å; I206-N208 PolarHBondContact O-N 3.39Å; I206-D209 PolarHBondContact O-N 2.93Å; I206-L210 HydrophobicContact CG2-CD1 3.93Å; I206-L210 HydrophobicContact CG2-CG 4.36Å; I206-L210 WeakPolarHBondContact O-CB 3.46Å; I206-L210 WeakPolarHBondContact O-CG 3.41Å; I206-L210 PolarHBondContact O-N 3.41Å |
| 207 | V | 94.1 | Very high | 93.4 | Very high | 57 Ų | 57 | 68.4 Ų | 68.4 | 35% | 0.345 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | -179.9 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | L203 Q204 L210 H211 | L203-V207 WeakPolarHBondContact O-CG2 3.47Å; L203-V207 PolarHBondContact O-N 2.98Å; Q204-V207 PolarHBondContact O-N 3.03Å; V207-L210 PolarHBondContact O-N 2.99Å; V207-H211 VanDerWaalsContact CG1-CE1 3.41Å; V207-H211 WeakPolarHBondContact CG1-CE1 3.37Å; V207-H211 PolarHBondContact O-N 3.3Å; V207-H211 PolarHBondContact O-ND1 3.21Å |
| 208 | N | 94.8 | Very high | 93.7 | Very high | 79 Ų | 79 | 65.3 Ų | 65.3 | 42% | 0.422 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 178.6 | -70.8 | -8.7 | 0 | 0 | 0 | 111.5 | Q204 V205 I206 L210 H211 S212 | Q204-N208 PolarHBondContact NE2-OD1 3.33Å; Q204-N208 WeakPolarHBondContact O-CB 3.3Å; Q204-N208 PolarHBondContact O-N 3.35Å; Q204-N208 PolarHBondContact O-OD1 3.5Å; V205-N208 PolarHBondContact O-N 2.96Å; I206-N208 PolarHBondContact O-N 3.39Å; N208-L210 PolarHBondContact O-N 3.08Å; N208-H211 PolarHBondContact O-N 2.91Å; N208-S212 PolarHBondContact O-N 3.03Å; N208-S212 PolarHBondContact O-OG 3.4Å |
| 209 | D | 91.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 70.2 Ų | 70.2 | 7% | 0.07 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.7 | -177.6 | 62.3 | 0 | 0 | 0 | 112.2 | S169 P170 V171 V205 I206 H211 S212 Q213 | S169-D209 PolarHBondContact OG-OD1 2.91Å; S169-D209 PolarHBondContact OG-OD2 3.05Å; P170-D209 VanDerWaalsContact CD-OD1 3.31Å; P170-D209 WeakPolarHBondContact CD-OD1 3.26Å; V171-D209 HydrophobicContact CG2-CB 3.27Å; V171-D209 VanDerWaalsContact CG2-OD2 3.32Å; V171-D209 WeakPolarHBondContact CG2-OD2 3.43Å; V205-D209 WeakPolarHBondContact O-CB 3.38Å; V205-D209 PolarHBondContact O-N 3.21Å; I206-D209 PolarHBondContact O-N 2.93Å; D209-H211 VanDerWaalsContact C-N 3.35Å; D209-H211 PolarHBondContact O-N 2.93Å; D209-S212 PolarHBondContact O-N 2.86Å; D209-Q213 WeakPolarHBondContact O-CB 3.39Å; D209-Q213 VanDerWaalsContact O-CG 3.32Å; D209-Q213 WeakPolarHBondContact O-CG 3.37Å; D209-Q213 PolarHBondContact O-N 3.04Å; D209-Q213 PolarHBondContact OD2-NE2 3.41Å |
| 210 | L | 92.5 | Very high | 93.9 | Very high | 65 Ų | 65 | 69.9 Ų | 69.9 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.7 | -74.8 | 173.7 | 0 | 0 | 0 | 112 | L185 I206 V207 N208 Q213 I214 | L185-L210 HydrophobicContact CD2-CD1 4.25Å; L185-L210 HydrophobicContact CD2-CD2 3.58Å; L185-L210 HydrophobicContact CD2-CG 3.92Å; I206-L210 HydrophobicContact CG2-CD1 3.93Å; I206-L210 HydrophobicContact CG2-CG 4.36Å; I206-L210 WeakPolarHBondContact O-CB 3.46Å; I206-L210 WeakPolarHBondContact O-CG 3.41Å; I206-L210 PolarHBondContact O-N 3.41Å; V207-L210 PolarHBondContact O-N 2.99Å; N208-L210 PolarHBondContact O-N 3.08Å; L210-Q213 PolarHBondContact O-N 3Å; L210-I214 WeakPolarHBondContact O-CD1 3.23Å; L210-I214 WeakPolarHBondContact O-CG1 3.45Å; L210-I214 PolarHBondContact O-N 3.41Å |
| 211 | H | 94.7 | Very high | 93.9 | Very high | 101 Ų | 101 | 67.5 Ų | 67.5 | 47% | 0.468 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 174.3 | -71 | 148.7 | 0 | 0 | 0 | 111.6 | V207 N208 D209 Q213 I214 E215 | V207-H211 VanDerWaalsContact CG1-CE1 3.41Å; V207-H211 WeakPolarHBondContact CG1-CE1 3.37Å; V207-H211 PolarHBondContact O-N 3.3Å; V207-H211 PolarHBondContact O-ND1 3.21Å; N208-H211 PolarHBondContact O-N 2.91Å; D209-H211 VanDerWaalsContact C-N 3.35Å; D209-H211 PolarHBondContact O-N 2.93Å; H211-Q213 VanDerWaalsContact C-N 3.32Å; H211-Q213 PolarHBondContact O-N 3.5Å; H211-I214 WeakPolarHBondContact O-CB 3.33Å; H211-I214 PolarHBondContact O-N 3.44Å; H211-I214 VanDerWaalsContact O-N 3.11Å; H211-E215 WeakPolarHBondContact O-CG 3.38Å; H211-E215 PolarHBondContact O-N 2.9Å |
| 212 | S | 92.4 | Very high | 94.1 | Very high | 67 Ų | 67 | 69.3 Ų | 69.3 | 47% | 0.469 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 176.8 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | N208 D209 S216 | N208-S212 PolarHBondContact O-N 3.03Å; N208-S212 PolarHBondContact O-OG 3.4Å; D209-S212 PolarHBondContact O-N 2.86Å; S212-S216 WeakPolarHBondContact O-CB 3.39Å; S212-S216 PolarHBondContact O-N 2.97Å; S212-S216 PolarHBondContact O-OG 3.42Å |
| 213 | Q | 91.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 71.9 Ų | 71.9 | 19% | 0.187 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 172.6 | -76.3 | -172.9 | 59.2 | 0 | 0 | 111.8 | D209 L210 H211 S216 L217 | D209-Q213 WeakPolarHBondContact O-CB 3.39Å; D209-Q213 VanDerWaalsContact O-CG 3.32Å; D209-Q213 WeakPolarHBondContact O-CG 3.37Å; D209-Q213 PolarHBondContact O-N 3.04Å; D209-Q213 PolarHBondContact OD2-NE2 3.41Å; L210-Q213 PolarHBondContact O-N 3Å; H211-Q213 VanDerWaalsContact C-N 3.32Å; H211-Q213 PolarHBondContact O-N 3.5Å; Q213-S216 WeakPolarHBondContact CA-OG 3.41Å; Q213-S216 PolarHBondContact O-OG 2.95Å; Q213-S216 VanDerWaalsContact O-OG 3.11Å; Q213-L217 VanDerWaalsContact O-CB 3.26Å; Q213-L217 WeakPolarHBondContact O-CB 3.16Å; Q213-L217 WeakPolarHBondContact O-CD1 3.19Å; Q213-L217 WeakPolarHBondContact O-CG 3.5Å; Q213-L217 PolarHBondContact O-N 3.29Å |
| 214 | I | 93.2 | Very high | 94.4 | Very high | 93 Ų | 93 | 73.7 Ų | 73.7 | 48% | 0.477 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 176.8 | -71.5 | 162.2 | 0 | 0 | 0 | 110.4 | L210 H211 L217 N218 | L210-I214 WeakPolarHBondContact O-CD1 3.23Å; L210-I214 WeakPolarHBondContact O-CG1 3.45Å; L210-I214 PolarHBondContact O-N 3.41Å; H211-I214 WeakPolarHBondContact O-CB 3.33Å; H211-I214 PolarHBondContact O-N 3.44Å; H211-I214 VanDerWaalsContact O-N 3.11Å; I214-L217 PolarHBondContact O-N 3.47Å; I214-N218 WeakPolarHBondContact O-CB 3.48Å; I214-N218 PolarHBondContact O-N 3Å; I214-N218 PolarHBondContact O-ND2 2.86Å |
| 215 | E | 95.7 | Very high | 94.5 | Very high | 120 Ų | 120 | 72.4 Ų | 72.4 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.9 | -53.5 | 178.9 | -72.3 | 171.7 | 179 | 0 | 0 | 111.2 | H211 L217 N218 E219 | H211-E215 WeakPolarHBondContact O-CG 3.38Å; H211-E215 PolarHBondContact O-N 2.9Å; E215-L217 PolarHBondContact O-N 2.88Å; E215-N218 PolarHBondContact O-N 3.35Å; E215-N218 VanDerWaalsContact O-N 3.14Å; E215-E219 WeakPolarHBondContact O-CG 3.35Å; E215-E219 PolarHBondContact O-N 3.35Å |
| 216 | S | 91.8 | Very high | 94.7 | Very high | 60 Ų | 60 | 76.1 Ų | 76.1 | 42% | 0.42 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 179.5 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | S212 Q213 N218 E219 E220 | S212-S216 WeakPolarHBondContact O-CB 3.39Å; S212-S216 PolarHBondContact O-N 2.97Å; S212-S216 PolarHBondContact O-OG 3.42Å; Q213-S216 WeakPolarHBondContact CA-OG 3.41Å; Q213-S216 PolarHBondContact O-OG 2.95Å; Q213-S216 VanDerWaalsContact O-OG 3.11Å; S216-N218 VanDerWaalsContact C-N 3.34Å; S216-E219 PolarHBondContact O-N 2.91Å; S216-E220 WeakPolarHBondContact O-CB 3.48Å; S216-E220 PolarHBondContact O-N 2.99Å |
| 217 | L | 91.9 | Very high | 94.9 | Very high | 39 Ų | 39 | 80.3 Ų | 80.3 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.5 | -33.4 | 176.7 | -71.9 | 171.1 | 0 | 0 | 0 | 112.7 | R166 Q213 I214 E215 L221 | R166-L217 VanDerWaalsContact NH1-CD2 3.28Å; Q213-L217 VanDerWaalsContact O-CB 3.26Å; Q213-L217 WeakPolarHBondContact O-CB 3.16Å; Q213-L217 WeakPolarHBondContact O-CD1 3.19Å; Q213-L217 WeakPolarHBondContact O-CG 3.5Å; Q213-L217 PolarHBondContact O-N 3.29Å; I214-L217 PolarHBondContact O-N 3.47Å; E215-L217 PolarHBondContact O-N 2.88Å; L217-L221 WeakPolarHBondContact O-CB 3.42Å; L217-L221 PolarHBondContact O-N 2.94Å |
| 218 | N | 97 | Very high | 95 | Very high | 90 Ų | 90 | 82.9 Ų | 82.9 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.9 | -42.2 | 175.9 | -72.7 | -22.1 | 0 | 0 | 0 | 110.9 | I214 E215 S216 L221 V222 | I214-N218 WeakPolarHBondContact O-CB 3.48Å; I214-N218 PolarHBondContact O-N 3Å; I214-N218 PolarHBondContact O-ND2 2.86Å; E215-N218 PolarHBondContact O-N 3.35Å; E215-N218 VanDerWaalsContact O-N 3.14Å; S216-N218 VanDerWaalsContact C-N 3.34Å; N218-L221 PolarHBondContact O-N 3.13Å; N218-V222 WeakPolarHBondContact O-CG2 3.39Å; N218-V222 PolarHBondContact O-N 3.32Å |
| 219 | E | 96.8 | Very high | 95.2 | Very high | 125 Ų | 125 | 82.8 Ų | 82.8 | 58% | 0.584 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.8 | -49 | 173.8 | -71.6 | 176.6 | -178.4 | 0 | 0 | 111.5 | E215 S216 L221 V222 Q223 | E215-E219 WeakPolarHBondContact O-CG 3.35Å; E215-E219 PolarHBondContact O-N 3.35Å; S216-E219 PolarHBondContact O-N 2.91Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 3.15Å; E219-V222 PolarHBondContact O-N 3.03Å; E219-Q223 WeakPolarHBondContact O-CG 3.38Å; E219-Q223 PolarHBondContact O-N 2.92Å |
| 220 | E | 94.2 | Very high | 95.5 | Very high | 76 Ų | 76 | 87.7 Ų | 87.7 | 36% | 0.355 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59 | -44.1 | 176.4 | -174.2 | -176 | -167.2 | 0 | 0 | 111.1 | R166 S216 V222 Q223 L224 | R166-E220 IonicContact NH2-OE2 3.91Å; S216-E220 WeakPolarHBondContact O-CB 3.48Å; S216-E220 PolarHBondContact O-N 2.99Å; E220-V222 VanDerWaalsContact C-N 3.35Å; E220-V222 PolarHBondContact O-N 3.31Å; E220-Q223 PolarHBondContact O-N 3.41Å; E220-L224 HydrophobicContact CG-CD1 4.05Å; E220-L224 HydrophobicContact CG-CG 4.44Å; E220-L224 WeakPolarHBondContact O-CB 3.3Å; E220-L224 VanDerWaalsContact O-CG 3.3Å; E220-L224 WeakPolarHBondContact O-CG 3.48Å; E220-L224 PolarHBondContact O-N 2.91Å |
| 221 | L | 96.4 | Very high | 95.7 | Very high | 94 Ų | 94 | 89.1 Ų | 89.1 | 49% | 0.492 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 176.5 | 175.9 | 62.5 | 0 | 0 | 0 | 111.4 | L217 N218 E219 L224 L225 | L217-L221 WeakPolarHBondContact O-CB 3.42Å; L217-L221 PolarHBondContact O-N 2.94Å; N218-L221 PolarHBondContact O-N 3.13Å; E219-L221 VanDerWaalsContact C-N 3.33Å; E219-L221 PolarHBondContact O-N 3.15Å; L221-L224 PolarHBondContact O-N 2.88Å; L221-L225 HydrophobicContact CD1-CD1 4.14Å; L221-L225 HydrophobicContact CD1-CG 4.14Å; L221-L225 HydrophobicContact CG-CD1 3.99Å; L221-L225 HydrophobicContact CG-CG 4.43Å; L221-L225 WeakPolarHBondContact O-CB 3.34Å; L221-L225 WeakPolarHBondContact O-CG 3.28Å; L221-L225 PolarHBondContact O-N 3.44Å |
| 222 | V | 98.4 | Very high | 95.9 | Very high | 83 Ų | 83 | 88.9 Ų | 88.9 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 177.9 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | N218 E219 E220 L224 L225 L226 | N218-V222 WeakPolarHBondContact O-CG2 3.39Å; N218-V222 PolarHBondContact O-N 3.32Å; E219-V222 PolarHBondContact O-N 3.03Å; E220-V222 VanDerWaalsContact C-N 3.35Å; E220-V222 PolarHBondContact O-N 3.31Å; V222-L224 PolarHBondContact O-N 3.26Å; V222-L225 PolarHBondContact O-N 2.9Å; V222-L226 HydrophobicContact CG1-CD1 4.32Å; V222-L226 WeakPolarHBondContact O-CG 3.43Å; V222-L226 PolarHBondContact O-N 3.5Å |
| 223 | Q | 97.4 | Very high | 96.1 | Very high | 119 Ų | 119 | 91.5 Ų | 91.5 | 56% | 0.556 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.8 | -46.5 | 177 | -69.6 | 173.9 | 14 | 0 | 0 | 112 | E219 E220 L225 L226 I227 | E219-Q223 WeakPolarHBondContact O-CG 3.38Å; E219-Q223 PolarHBondContact O-N 2.92Å; E220-Q223 PolarHBondContact O-N 3.41Å; Q223-L225 VanDerWaalsContact C-N 3.29Å; Q223-L225 PolarHBondContact O-N 3.45Å; Q223-L226 PolarHBondContact O-N 3.34Å; Q223-I227 WeakPolarHBondContact O-CG1 3.36Å; Q223-I227 PolarHBondContact O-N 3.49Å |
| 224 | L | 95.4 | Very high | 96.4 | Very high | 93 Ų | 93 | 94.5 Ų | 94.5 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -34.9 | 177.1 | -71.2 | 173 | 0 | 0 | 0 | 112.4 | E220 L221 V222 R228 | E220-L224 HydrophobicContact CG-CD1 4.05Å; E220-L224 HydrophobicContact CG-CG 4.44Å; E220-L224 WeakPolarHBondContact O-CB 3.3Å; E220-L224 VanDerWaalsContact O-CG 3.3Å; E220-L224 WeakPolarHBondContact O-CG 3.48Å; E220-L224 PolarHBondContact O-N 2.91Å; L221-L224 PolarHBondContact O-N 2.88Å; V222-L224 PolarHBondContact O-N 3.26Å; L224-R228 WeakPolarHBondContact O-CB 3.49Å; L224-R228 PolarHBondContact O-N 2.94Å |
| 225 | L | 98.1 | Very high | 96.6 | Very high | 64 Ų | 64 | 95.1 Ų | 95.1 | 34% | 0.335 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 174.7 | -72 | 170.4 | 0 | 0 | 0 | 111.9 | L221 V222 Q223 R228 D229 | L221-L225 HydrophobicContact CD1-CD1 4.14Å; L221-L225 HydrophobicContact CD1-CG 4.14Å; L221-L225 HydrophobicContact CG-CD1 3.99Å; L221-L225 HydrophobicContact CG-CG 4.43Å; L221-L225 WeakPolarHBondContact O-CB 3.34Å; L221-L225 WeakPolarHBondContact O-CG 3.28Å; L221-L225 PolarHBondContact O-N 3.44Å; V222-L225 PolarHBondContact O-N 2.9Å; Q223-L225 VanDerWaalsContact C-N 3.29Å; Q223-L225 PolarHBondContact O-N 3.45Å; L225-R228 WeakPolarHBondContact O-CB 3.42Å; L225-R228 PolarHBondContact O-N 3.49Å; L225-D229 VanDerWaalsContact O-CG 3.24Å; L225-D229 PolarHBondContact O-N 2.75Å |
| 226 | L | 98.1 | Very high | 96.7 | Very high | 114 Ų | 114 | 94.1 Ų | 94.1 | 60% | 0.597 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.6 | -46.8 | 175 | -68.3 | 173.4 | 0 | 0 | 0 | 111.3 | V222 Q223 R228 D229 E230 | V222-L226 HydrophobicContact CG1-CD1 4.32Å; V222-L226 WeakPolarHBondContact O-CG 3.43Å; V222-L226 PolarHBondContact O-N 3.5Å; Q223-L226 PolarHBondContact O-N 3.34Å; L226-R228 VanDerWaalsContact C-N 3.31Å; L226-R228 PolarHBondContact O-N 3.07Å; L226-D229 PolarHBondContact O-N 3.34Å; L226-D229 VanDerWaalsContact O-N 3.13Å; L226-E230 PolarHBondContact O-N 3.43Å |
| 227 | I | 97.2 | Very high | 97 | Very high | 94 Ų | 94 | 93.8 Ų | 93.8 | 48% | 0.482 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 176.6 | -67 | 165.7 | 0 | 0 | 0 | 110.7 | Q223 D229 E230 L231 | Q223-I227 WeakPolarHBondContact O-CG1 3.36Å; Q223-I227 PolarHBondContact O-N 3.49Å; I227-D229 VanDerWaalsContact C-N 3.3Å; I227-D229 PolarHBondContact O-N 3.2Å; I227-E230 PolarHBondContact O-N 3.08Å; I227-L231 HydrophobicContact CG2-CD1 3.84Å; I227-L231 HydrophobicContact CG2-CG 4.24Å; I227-L231 WeakPolarHBondContact O-CB 3.45Å; I227-L231 VanDerWaalsContact O-CG 3.28Å; I227-L231 WeakPolarHBondContact O-CG 3.27Å; I227-L231 PolarHBondContact O-N 2.68Å |
| 228 | R | 96.9 | Very high | 97.3 | Very high | 112 Ų | 112 | 96.5 Ų | 96.5 | 42% | 0.423 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58 | -45 | 174.9 | 179.7 | -157.7 | 68.2 | -163.2 | -6.1 | 111.2 | L224 L225 L226 L231 H232 | L224-R228 WeakPolarHBondContact O-CB 3.49Å; L224-R228 PolarHBondContact O-N 2.94Å; L225-R228 WeakPolarHBondContact O-CB 3.42Å; L225-R228 PolarHBondContact O-N 3.49Å; L226-R228 VanDerWaalsContact C-N 3.31Å; L226-R228 PolarHBondContact O-N 3.07Å; R228-L231 PolarHBondContact O-N 2.97Å; R228-H232 WeakPolarHBondContact O-CB 3.41Å; R228-H232 PolarHBondContact O-CD2 3.33Å; R228-H232 VanDerWaalsContact O-CG 3.27Å; R228-H232 PolarHBondContact O-N 2.97Å |
| 229 | D | 98.3 | Very high | 97.2 | Very high | 76 Ų | 76 | 96.9 Ų | 96.9 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -37.2 | -177.6 | -67.5 | -10.7 | 0 | 0 | 0 | 111.4 | L225 L226 I227 H232 M233 | L225-D229 VanDerWaalsContact O-CG 3.24Å; L225-D229 PolarHBondContact O-N 2.75Å; L226-D229 PolarHBondContact O-N 3.34Å; L226-D229 VanDerWaalsContact O-N 3.13Å; I227-D229 VanDerWaalsContact C-N 3.3Å; I227-D229 PolarHBondContact O-N 3.2Å; D229-H232 PolarHBondContact O-N 3.16Å; D229-M233 PolarHBondContact O-N 3.34Å |
| 230 | E | 98.1 | Very high | 97.3 | Very high | 117 Ų | 117 | 94.5 Ų | 94.5 | 55% | 0.547 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -50.7 | 171.4 | -172.1 | 62.8 | -154 | 0 | 0 | 111.6 | L226 I227 H232 M233 E234 | L226-E230 PolarHBondContact O-N 3.43Å; I227-E230 PolarHBondContact O-N 3.08Å; E230-H232 VanDerWaalsContact C-N 3.27Å; E230-H232 PolarHBondContact O-N 3.13Å; E230-M233 WeakPolarHBondContact O-CA 3.3Å; E230-M233 WeakPolarHBondContact O-CB 3.47Å; E230-M233 PolarHBondContact O-N 2.96Å; E230-E234 PolarHBondContact O-N 3.38Å |
| 231 | L | 96.6 | Very high | 97.4 | Very high | 95 Ų | 95 | 95.6 Ų | 95.6 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -33.3 | 178.1 | -70.4 | 173 | 0 | 0 | 0 | 112.5 | I227 R228 Q235 | I227-L231 HydrophobicContact CG2-CD1 3.84Å; I227-L231 HydrophobicContact CG2-CG 4.24Å; I227-L231 WeakPolarHBondContact O-CB 3.45Å; I227-L231 VanDerWaalsContact O-CG 3.28Å; I227-L231 WeakPolarHBondContact O-CG 3.27Å; I227-L231 PolarHBondContact O-N 2.68Å; R228-L231 PolarHBondContact O-N 2.97Å; L231-Q235 VanDerWaalsContact O-CB 3.3Å; L231-Q235 WeakPolarHBondContact O-CB 3.48Å; L231-Q235 PolarHBondContact O-N 3.04Å |
| 232 | H | 97.6 | Very high | 97.4 | Very high | 96 Ų | 96 | 95.8 Ų | 95.8 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 172.7 | -79.7 | -161.3 | 0 | 0 | 0 | 111.3 | R228 D229 E230 Q235 D236 | R228-H232 WeakPolarHBondContact O-CB 3.41Å; R228-H232 PolarHBondContact O-CD2 3.33Å; R228-H232 VanDerWaalsContact O-CG 3.27Å; R228-H232 PolarHBondContact O-N 2.97Å; D229-H232 PolarHBondContact O-N 3.16Å; E230-H232 VanDerWaalsContact C-N 3.27Å; E230-H232 PolarHBondContact O-N 3.13Å; H232-Q235 PolarHBondContact O-N 3.34Å; H232-D236 WeakPolarHBondContact O-CB 3.26Å; H232-D236 PolarHBondContact O-N 3.41Å |
| 233 | M | 98.4 | Very high | 97.3 | Very high | 121 Ų | 121 | 97 Ų | 97 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.8 | -43.5 | 175.8 | -167.3 | -177.3 | -43.1 | 0 | 0 | 111.5 | D229 E230 D236 A237 | D229-M233 PolarHBondContact O-N 3.34Å; E230-M233 WeakPolarHBondContact O-CA 3.3Å; E230-M233 WeakPolarHBondContact O-CB 3.47Å; E230-M233 PolarHBondContact O-N 2.96Å; M233-D236 PolarHBondContact O-N 2.96Å; M233-A237 PolarHBondContact O-N 3.47Å |
| 234 | E | 97.8 | Very high | 97.3 | Very high | 104 Ų | 104 | 95.6 Ų | 95.6 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174.6 | -171 | -177.4 | 179.9 | 0 | 0 | 111.6 | E230 A237 M238 | E230-E234 PolarHBondContact O-N 3.38Å; E234-A237 PolarHBondContact O-N 3.11Å; E234-M238 HydrophobicContact CG-CE 4.38Å; E234-M238 WeakPolarHBondContact O-CG 3.47Å; E234-M238 PolarHBondContact O-N 2.97Å |
| 235 | Q | 97 | Very high | 97.3 | Very high | 105 Ų | 105 | 97 Ų | 97 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 174.1 | 172.6 | 171.1 | 85.9 | 0 | 0 | 112.2 | L231 H232 A237 M238 L239 | L231-Q235 VanDerWaalsContact O-CB 3.3Å; L231-Q235 WeakPolarHBondContact O-CB 3.48Å; L231-Q235 PolarHBondContact O-N 3.04Å; H232-Q235 PolarHBondContact O-N 3.34Å; Q235-A237 VanDerWaalsContact C-N 3.3Å; Q235-A237 PolarHBondContact O-N 2.97Å; Q235-M238 PolarHBondContact O-N 2.69Å; Q235-L239 HydrophobicContact CG-CD1 4.2Å; Q235-L239 HydrophobicContact CG-CG 4.49Å; Q235-L239 WeakPolarHBondContact O-CG 3.3Å; Q235-L239 PolarHBondContact O-N 3Å |
| 236 | D | 97.7 | Very high | 97.1 | Very high | 100 Ų | 100 | 97.2 Ų | 97.2 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 178.4 | -76.6 | -16.4 | 0 | 0 | 0 | 110.7 | H232 M233 L239 V240 | H232-D236 WeakPolarHBondContact O-CB 3.26Å; H232-D236 PolarHBondContact O-N 3.41Å; M233-D236 PolarHBondContact O-N 2.96Å; D236-L239 PolarHBondContact O-N 3.31Å; D236-V240 WeakPolarHBondContact O-CG2 3.42Å; D236-V240 PolarHBondContact O-N 3.5Å; D236-V240 VanDerWaalsContact O-N 3.13Å |
| 237 | A | 98.1 | Very high | 97 | Very high | 52 Ų | 52 | 98.3 Ų | 98.3 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | M233 E234 Q235 L239 V240 D241 | M233-A237 PolarHBondContact O-N 3.47Å; E234-A237 PolarHBondContact O-N 3.11Å; Q235-A237 VanDerWaalsContact C-N 3.3Å; Q235-A237 PolarHBondContact O-N 2.97Å; A237-L239 VanDerWaalsContact C-N 3.29Å; A237-L239 PolarHBondContact O-N 3.36Å; A237-V240 WeakPolarHBondContact O-CB 3.35Å; A237-V240 PolarHBondContact O-N 3.26Å; A237-V240 VanDerWaalsContact O-N 3.16Å; A237-D241 PolarHBondContact O-N 2.95Å |
| 238 | M | 96.8 | Very high | 96.9 | Very high | 97 Ų | 97 | 99 Ų | 99 | 48% | 0.478 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.7 | -37 | 176.9 | -73.8 | -170.6 | -71.4 | 0 | 0 | 112.8 | E234 Q235 V240 D241 I242 | E234-M238 HydrophobicContact CG-CE 4.38Å; E234-M238 WeakPolarHBondContact O-CG 3.47Å; E234-M238 PolarHBondContact O-N 2.97Å; Q235-M238 PolarHBondContact O-N 2.69Å; M238-V240 VanDerWaalsContact C-N 3.34Å; M238-D241 PolarHBondContact O-N 3.44Å; M238-I242 VanDerWaalsContact O-CG1 3.26Å; M238-I242 WeakPolarHBondContact O-CG1 3.2Å; M238-I242 PolarHBondContact O-N 3.35Å |
| 239 | L | 96.6 | Very high | 96.7 | Very high | 98 Ų | 98 | 96.3 Ų | 96.3 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 177.5 | -74.6 | 174.6 | 0 | 0 | 0 | 112.1 | Q235 D236 A237 I242 E243 | Q235-L239 HydrophobicContact CG-CD1 4.2Å; Q235-L239 HydrophobicContact CG-CG 4.49Å; Q235-L239 WeakPolarHBondContact O-CG 3.3Å; Q235-L239 PolarHBondContact O-N 3Å; D236-L239 PolarHBondContact O-N 3.31Å; A237-L239 VanDerWaalsContact C-N 3.29Å; A237-L239 PolarHBondContact O-N 3.36Å; L239-I242 PolarHBondContact O-N 3.47Å; L239-E243 PolarHBondContact O-N 3.38Å |
| 240 | V | 98.2 | Very high | 96.4 | Very high | 75 Ų | 75 | 97.5 Ų | 97.5 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 173.3 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | D236 A237 M238 I242 E243 D244 | D236-V240 WeakPolarHBondContact O-CG2 3.42Å; D236-V240 PolarHBondContact O-N 3.5Å; D236-V240 VanDerWaalsContact O-N 3.13Å; A237-V240 WeakPolarHBondContact O-CB 3.35Å; A237-V240 PolarHBondContact O-N 3.26Å; A237-V240 VanDerWaalsContact O-N 3.16Å; M238-V240 VanDerWaalsContact C-N 3.34Å; V240-I242 VanDerWaalsContact C-N 3.3Å; V240-I242 PolarHBondContact O-N 2.92Å; V240-E243 WeakPolarHBondContact O-CB 3.38Å; V240-E243 PolarHBondContact O-N 3.41Å; V240-E243 VanDerWaalsContact O-N 3.07Å; V240-D244 PolarHBondContact O-N 2.96Å |
| 241 | D | 97 | Very high | 96.2 | Very high | 98 Ų | 98 | 95.4 Ų | 95.4 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 176.8 | -69.8 | -24.1 | 0 | 0 | 0 | 111.7 | A237 M238 E243 D244 L245 | A237-D241 PolarHBondContact O-N 2.95Å; M238-D241 PolarHBondContact O-N 3.44Å; D241-E243 PolarHBondContact O-N 2.89Å; D241-D244 PolarHBondContact O-N 3.46Å; D241-L245 WeakPolarHBondContact O-CB 3.34Å; D241-L245 WeakPolarHBondContact O-CG 3.34Å; D241-L245 PolarHBondContact O-N 2.99Å |
| 242 | I | 94.8 | Very high | 95.9 | Very high | 99 Ų | 99 | 95.9 Ų | 95.9 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 175.3 | -70 | 165.3 | 0 | 0 | 0 | 110.9 | M238 L239 V240 T246 | M238-I242 VanDerWaalsContact O-CG1 3.26Å; M238-I242 WeakPolarHBondContact O-CG1 3.2Å; M238-I242 PolarHBondContact O-N 3.35Å; L239-I242 PolarHBondContact O-N 3.47Å; V240-I242 VanDerWaalsContact C-N 3.3Å; V240-I242 PolarHBondContact O-N 2.92Å; I242-T246 VanDerWaalsContact O-CB 3.27Å; I242-T246 WeakPolarHBondContact O-CB 3.48Å; I242-T246 PolarHBondContact O-N 2.9Å; I242-T246 PolarHBondContact O-OG1 2.97Å |
| 243 | E | 96.8 | Very high | 95.5 | Very high | 107 Ų | 107 | 98 Ų | 98 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 178.6 | -173.7 | 176.9 | 178.3 | 0 | 0 | 111.3 | L239 V240 D241 T246 R247 | L239-E243 PolarHBondContact O-N 3.38Å; V240-E243 WeakPolarHBondContact O-CB 3.38Å; V240-E243 PolarHBondContact O-N 3.41Å; V240-E243 VanDerWaalsContact O-N 3.07Å; D241-E243 PolarHBondContact O-N 2.89Å; E243-T246 PolarHBondContact O-N 3.42Å; E243-R247 WeakPolarHBondContact O-CB 3.44Å; E243-R247 PolarHBondContact O-N 3.35Å; E243-R247 IonicContact OE1-CZ 3.81Å; E243-R247 IonicContact OE1-NH2 2.69Å; E243-R247 PolarHBondContact OE1-NH2 2.94Å |
| 244 | D | 97.3 | Very high | 95 | Very high | 91 Ų | 91 | 98.7 Ų | 98.7 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 180 | -78.1 | -15.1 | 0 | 0 | 0 | 112 | V240 D241 T246 R247 H248 | V240-D244 PolarHBondContact O-N 2.96Å; D241-D244 PolarHBondContact O-N 3.46Å; D244-T246 VanDerWaalsContact C-N 3.33Å; D244-T246 PolarHBondContact O-N 2.86Å; D244-R247 PolarHBondContact O-N 2.97Å; D244-H248 WeakPolarHBondContact O-CB 3.39Å; D244-H248 PolarHBondContact O-N 3.32Å |
| 245 | L | 95.6 | Very high | 94.6 | Very high | 121 Ų | 121 | 98.7 Ų | 98.7 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 175 | -71.7 | 173.5 | 0 | 0 | 0 | 111.7 | D241 H248 A249 | D241-L245 WeakPolarHBondContact O-CB 3.34Å; D241-L245 WeakPolarHBondContact O-CG 3.34Å; D241-L245 PolarHBondContact O-N 2.99Å; L245-H248 PolarHBondContact O-N 2.96Å; L245-A249 WeakPolarHBondContact O-CB 3.42Å; L245-A249 PolarHBondContact O-N 3.38Å |
| 246 | T | 93.6 | Very high | 94 | Very high | 69 Ų | 69 | 98.7 Ų | 98.7 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -47 | 178.2 | -57 | 0 | 0 | 0 | 0 | 110.7 | I242 E243 D244 H248 A249 E250 | I242-T246 VanDerWaalsContact O-CB 3.27Å; I242-T246 WeakPolarHBondContact O-CB 3.48Å; I242-T246 PolarHBondContact O-N 2.9Å; I242-T246 PolarHBondContact O-OG1 2.97Å; E243-T246 PolarHBondContact O-N 3.42Å; D244-T246 VanDerWaalsContact C-N 3.33Å; D244-T246 PolarHBondContact O-N 2.86Å; T246-H248 VanDerWaalsContact C-N 3.33Å; T246-H248 PolarHBondContact O-N 3.29Å; T246-A249 PolarHBondContact O-N 3.38Å; T246-E250 WeakPolarHBondContact O-CG 3.4Å; T246-E250 PolarHBondContact O-N 2.95Å |
| 247 | R | 96.3 | Very high | 93.4 | Very high | 137 Ų | 137 | 95.9 Ų | 95.9 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.8 | -168.8 | -169.6 | -48.9 | -73.3 | -0.1 | 111.8 | E243 D244 S251 | E243-R247 WeakPolarHBondContact O-CB 3.44Å; E243-R247 PolarHBondContact O-N 3.35Å; E243-R247 IonicContact OE1-CZ 3.81Å; E243-R247 IonicContact OE1-NH2 2.69Å; E243-R247 PolarHBondContact OE1-NH2 2.94Å; D244-R247 PolarHBondContact O-N 2.97Å; R247-S251 WeakPolarHBondContact O-CB 3.5Å; R247-S251 PolarHBondContact O-N 3.28Å |
| 248 | H | 95.6 | Very high | 92.6 | Very high | 109 Ų | 109 | 99.2 Ų | 99.2 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 177 | 176.3 | -101.8 | 0 | 0 | 0 | 111.6 | D244 L245 T246 E250 S251 Q252 | D244-H248 WeakPolarHBondContact O-CB 3.39Å; D244-H248 PolarHBondContact O-N 3.32Å; L245-H248 PolarHBondContact O-N 2.96Å; T246-H248 VanDerWaalsContact C-N 3.33Å; T246-H248 PolarHBondContact O-N 3.29Å; H248-E250 PolarHBondContact O-N 3.34Å; H248-S251 PolarHBondContact O-N 3.04Å; H248-Q252 PolarHBondContact CE1-NE2 3.49Å; H248-Q252 PolarHBondContact NE2-NE2 2.71Å; H248-Q252 WeakPolarHBondContact O-CG 3.4Å; H248-Q252 PolarHBondContact O-N 3.48Å |
| 249 | A | 92 | Very high | 91.5 | Very high | 55 Ų | 55 | 102.3 Ų | 102.3 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L245 T246 S251 Q252 Q253 | L245-A249 WeakPolarHBondContact O-CB 3.42Å; L245-A249 PolarHBondContact O-N 3.38Å; T246-A249 PolarHBondContact O-N 3.38Å; A249-S251 PolarHBondContact O-N 2.94Å; A249-Q252 PolarHBondContact O-N 3.38Å; A249-Q253 PolarHBondContact O-N 3.11Å |
| 250 | E | 93.1 | Very high | 90.3 | Very high | 101 Ų | 101 | 102.3 Ų | 102.3 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.6 | -73 | 179.6 | -178.1 | 0 | 0 | 112.4 | T246 H248 Q253 K254 | T246-E250 WeakPolarHBondContact O-CG 3.4Å; T246-E250 PolarHBondContact O-N 2.95Å; H248-E250 PolarHBondContact O-N 3.34Å; E250-Q253 PolarHBondContact O-N 3.37Å; E250-K254 WeakPolarHBondContact O-CG 3.28Å; E250-K254 PolarHBondContact O-N 3.16Å |
| 251 | S | 93.5 | Very high | 88.6 | Confident | 74 Ų | 74 | 105.6 Ų | 105.6 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.6 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | R247 H248 A249 Q253 K254 H255 | R247-S251 WeakPolarHBondContact O-CB 3.5Å; R247-S251 PolarHBondContact O-N 3.28Å; H248-S251 PolarHBondContact O-N 3.04Å; A249-S251 PolarHBondContact O-N 2.94Å; S251-Q253 VanDerWaalsContact C-N 3.34Å; S251-Q253 PolarHBondContact O-N 2.92Å; S251-K254 PolarHBondContact O-N 3Å; S251-H255 PolarHBondContact O-N 3.4Å |
| 252 | Q | 91 | Very high | 86.7 | Confident | 105 Ų | 105 | 106 Ų | 106 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175 | -74.3 | -163.3 | -9.7 | 0 | 0 | 112.1 | H248 A249 H255 L256 | H248-Q252 PolarHBondContact CE1-NE2 3.49Å; H248-Q252 PolarHBondContact NE2-NE2 2.71Å; H248-Q252 WeakPolarHBondContact O-CG 3.4Å; H248-Q252 PolarHBondContact O-N 3.48Å; A249-Q252 PolarHBondContact O-N 3.38Å; Q252-H255 PolarHBondContact O-N 3.01Å; Q252-L256 WeakPolarHBondContact O-CB 3.48Å; Q252-L256 WeakPolarHBondContact O-CG 3.48Å; Q252-L256 PolarHBondContact O-N 3.19Å |
| 253 | Q | 88.8 | Confident | 84.4 | Confident | 140 Ų | 140 | 113 Ų | 113 | 65% | 0.654 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.5 | -42 | 178.1 | -171.4 | 177.6 | 3.3 | 0 | 0 | 112 | A249 E250 S251 L256 A257 | A249-Q253 PolarHBondContact O-N 3.11Å; E250-Q253 PolarHBondContact O-N 3.37Å; S251-Q253 VanDerWaalsContact C-N 3.34Å; S251-Q253 PolarHBondContact O-N 2.92Å; Q253-L256 PolarHBondContact O-N 3.09Å; Q253-A257 WeakPolarHBondContact O-CB 3.42Å; Q253-A257 PolarHBondContact O-N 3.15Å |
| 254 | K | 88.6 | Confident | 83.8 | Confident | 135 Ų | 135 | 113.3 Ų | 113.3 | 59% | 0.587 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.6 | -48.5 | 174.7 | -74.7 | 174.9 | -177.7 | 171.7 | 0 | 111.6 | E250 S251 L256 A257 E258 | E250-K254 WeakPolarHBondContact O-CG 3.28Å; E250-K254 PolarHBondContact O-N 3.16Å; S251-K254 PolarHBondContact O-N 3Å; K254-L256 VanDerWaalsContact C-N 3.31Å; K254-L256 PolarHBondContact O-N 3.34Å; K254-A257 WeakPolarHBondContact O-CB 3.33Å; K254-A257 PolarHBondContact O-N 3.31Å; K254-A257 VanDerWaalsContact O-N 3.15Å; K254-E258 WeakPolarHBondContact O-CG 3.33Å; K254-E258 PolarHBondContact O-N 3.2Å |
| 255 | H | 87.9 | Confident | 83.1 | Confident | 104 Ų | 104 | 114.4 Ų | 114.4 | 48% | 0.481 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.4 | -37.8 | 178.8 | -177 | -106.4 | 0 | 0 | 0 | 112.4 | S251 Q252 R259 | S251-H255 PolarHBondContact O-N 3.4Å; Q252-H255 PolarHBondContact O-N 3.01Å; H255-R259 WeakPolarHBondContact O-CG 3.34Å; H255-R259 PolarHBondContact O-N 2.93Å; H255-R259 VanDerWaalsContact O-N 3.16Å |
| 256 | L | 85.7 | Confident | 82.4 | Confident | 105 Ų | 105 | 114.1 Ų | 114.1 | 55% | 0.55 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.7 | -43.9 | 173 | -74.6 | 168.4 | 0 | 0 | 0 | 111.9 | Q252 Q253 K254 R259 T260 | Q252-L256 WeakPolarHBondContact O-CB 3.48Å; Q252-L256 WeakPolarHBondContact O-CG 3.48Å; Q252-L256 PolarHBondContact O-N 3.19Å; Q253-L256 PolarHBondContact O-N 3.09Å; K254-L256 VanDerWaalsContact C-N 3.31Å; K254-L256 PolarHBondContact O-N 3.34Å; L256-R259 PolarHBondContact O-N 3.24Å; L256-T260 VanDerWaalsContact O-CG2 3.28Å; L256-T260 WeakPolarHBondContact O-CG2 3.42Å; L256-T260 PolarHBondContact O-N 3.35Å; L256-T260 PolarHBondContact O-OG1 2.89Å |
| 257 | A | 83.4 | Confident | 81.7 | Confident | 42 Ų | 42 | 116.7 Ų | 116.7 | 35% | 0.347 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.6 | -46.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q253 K254 R259 T260 L261 | Q253-A257 WeakPolarHBondContact O-CB 3.42Å; Q253-A257 PolarHBondContact O-N 3.15Å; K254-A257 WeakPolarHBondContact O-CB 3.33Å; K254-A257 PolarHBondContact O-N 3.31Å; K254-A257 VanDerWaalsContact O-N 3.15Å; A257-R259 VanDerWaalsContact C-N 3.32Å; A257-R259 PolarHBondContact O-N 3.06Å; A257-T260 WeakPolarHBondContact CA-OG1 3.5Å; A257-T260 PolarHBondContact O-N 3.5Å; A257-T260 VanDerWaalsContact O-N 3.11Å; A257-T260 PolarHBondContact O-OG1 3.4Å; A257-L261 PolarHBondContact O-N 3.48Å |
| 258 | E | 82.5 | Confident | 80.8 | Confident | 122 Ų | 122 | 115.4 Ų | 115.4 | 57% | 0.57 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.4 | -38.5 | 177.3 | -72.6 | 172.7 | -176.4 | 0 | 0 | 112.6 | K254 L261 S262 | K254-E258 WeakPolarHBondContact O-CG 3.33Å; K254-E258 PolarHBondContact O-N 3.2Å; E258-L261 PolarHBondContact O-N 3.32Å; E258-S262 WeakPolarHBondContact O-CB 3.45Å; E258-S262 PolarHBondContact O-N 3.36Å; E258-S262 PolarHBondContact O-OG 3.14Å |
| 259 | R | 73.3 | Confident | 79.8 | Confident | 162 Ų | 162 | 115.9 Ų | 115.9 | 61% | 0.611 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.5 | -29.9 | 175.2 | -71.6 | -179.2 | 82.8 | -176.6 | 10 | 113.4 | H255 L256 A257 | H255-R259 WeakPolarHBondContact O-CG 3.34Å; H255-R259 PolarHBondContact O-N 2.93Å; H255-R259 VanDerWaalsContact O-N 3.16Å; L256-R259 PolarHBondContact O-N 3.24Å; A257-R259 VanDerWaalsContact C-N 3.32Å; A257-R259 PolarHBondContact O-N 3.06Å |
| 260 | T | 71.2 | Confident | 78.9 | Confident | 98 Ų | 98 | 120.2 Ų | 120.2 | 60% | 0.601 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -77.8 | -28.9 | 176.3 | 58 | 0 | 0 | 0 | 0 | 112.9 | L256 A257 | L256-T260 VanDerWaalsContact O-CG2 3.28Å; L256-T260 WeakPolarHBondContact O-CG2 3.42Å; L256-T260 PolarHBondContact O-N 3.35Å; L256-T260 PolarHBondContact O-OG1 2.89Å; A257-T260 WeakPolarHBondContact CA-OG1 3.5Å; A257-T260 PolarHBondContact O-N 3.5Å; A257-T260 VanDerWaalsContact O-N 3.11Å; A257-T260 PolarHBondContact O-OG1 3.4Å |
| 261 | L | 63.3 | Low | 77.9 | Confident | 144 Ų | 144 | 121.7 Ų | 121.7 | 75% | 0.754 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -80 | -19.3 | 175 | -86 | 145.7 | 0 | 0 | 0 | 113.6 | A257 E258 K263 | A257-L261 PolarHBondContact O-N 3.48Å; E258-L261 PolarHBondContact O-N 3.32Å; L261-K263 VanDerWaalsContact C-N 3.32Å |
| 262 | S | 57 | Low | 76.6 | Confident | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 11.7 | 178 | -59.6 | 0 | 0 | 0 | 0 | 114 | E258 | E258-S262 WeakPolarHBondContact O-CB 3.45Å; E258-S262 PolarHBondContact O-N 3.36Å; E258-S262 PolarHBondContact O-OG 3.14Å |
| 263 | K | 45.9 | Very low | 75.2 | Confident | 246 Ų | 246 | 127.5 Ų | 127.5 | 100% | 1.07 | 63% | 0.633 | S | S | * | * | trans | -119.7 | 0 | 174.7 | -80 | -177.3 | 173.7 | -178.9 | 0 | 109.9 | L261 | L261-K263 VanDerWaalsContact C-N 3.32Š|
Retrieved 263 of 263 residues in 166.9 ms
(Link to these results)