| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.2 | Low | 73.7 | Confident | 228 Ų | 228 | 131.5 Ų | 131.5 | 100% | 1.123 | 68% | 0.679 | S | S | * | * | 0 | 29.2 | 0 | -74.6 | -173.9 | -95.1 | 0 | 0 | 111.9 | |||||
| 2 | E | 59.8 | Low | 74.5 | Confident | 168 Ų | 168 | 124.5 Ų | 124.5 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | trans | -105.7 | -21 | -173.7 | -64 | -174.6 | 164.6 | 0 | 0 | 113.4 | N4 S5 L6 | E2-N4 PolarHBondContact O-N 2.94Å; E2-S5 WeakPolarHBondContact O-CB 3.34Å; E2-S5 PolarHBondContact O-N 3.43Å; E2-L6 PolarHBondContact O-N 3.49Å; E2-L6 VanDerWaalsContact O-N 3.09Å | ||
| 3 | L | 58.5 | Low | 75.1 | Confident | 132 Ų | 132 | 119.1 Ų | 119.1 | 69% | 0.691 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.5 | -36.1 | -179.3 | -64.5 | 175.1 | 0 | 0 | 0 | 112.7 | S5 L6 L7 | L3-S5 VanDerWaalsContact C-N 3.32Å; L3-S5 PolarHBondContact O-N 3.08Å; L3-L6 PolarHBondContact O-N 3.17Å; L3-L7 VanDerWaalsContact O-CD1 3.27Å; L3-L7 WeakPolarHBondContact O-CD1 3.21Å; L3-L7 PolarHBondContact O-N 3.46Å |
| 4 | N | 68.3 | Low | 75.4 | Confident | 119 Ų | 119 | 117.5 Ų | 117.5 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.9 | -35.2 | 176.6 | -65.9 | -7.6 | 0 | 0 | 0 | 111.6 | E2 L6 I8 | E2-N4 PolarHBondContact O-N 2.94Å; N4-L6 VanDerWaalsContact C-N 3.35Å; N4-I8 WeakPolarHBondContact O-CB 3.28Å; N4-I8 VanDerWaalsContact O-CD1 3.32Å; N4-I8 WeakPolarHBondContact O-CD1 3.44Å; N4-I8 WeakPolarHBondContact O-CG1 3.5Å; N4-I8 PolarHBondContact O-N 3.32Å; N4-I8 VanDerWaalsContact O-N 3.08Å |
| 5 | S | 72.4 | Confident | 75.6 | Confident | 78 Ų | 78 | 119.1 Ų | 119.1 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.6 | -38.3 | 175.4 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | E2 L3 L9 | E2-S5 WeakPolarHBondContact O-CB 3.34Å; E2-S5 PolarHBondContact O-N 3.43Å; L3-S5 VanDerWaalsContact C-N 3.32Å; L3-S5 PolarHBondContact O-N 3.08Å; S5-L9 WeakPolarHBondContact O-CB 3.48Å; S5-L9 PolarHBondContact O-N 3.41Å |
| 6 | L | 77.3 | Confident | 75.4 | Confident | 106 Ų | 106 | 118.2 Ų | 118.2 | 56% | 0.555 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.1 | -44 | 177.3 | -165.2 | 96.3 | 0 | 0 | 0 | 111.5 | E2 L3 N4 I8 L9 L10 | E2-L6 PolarHBondContact O-N 3.49Å; E2-L6 VanDerWaalsContact O-N 3.09Å; L3-L6 PolarHBondContact O-N 3.17Å; N4-L6 VanDerWaalsContact C-N 3.35Å; L6-I8 PolarHBondContact O-N 3.1Å; L6-L9 PolarHBondContact O-N 3.28Å; L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 PolarHBondContact O-N 3.17Å |
| 7 | L | 82.3 | Confident | 75 | Confident | 118 Ų | 118 | 117.1 Ų | 117.1 | 62% | 0.618 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.2 | -44.7 | 175.7 | -97.2 | 96 | 0 | 0 | 0 | 111.8 | L3 L9 L10 E11 | L3-L7 VanDerWaalsContact O-CD1 3.27Å; L3-L7 WeakPolarHBondContact O-CD1 3.21Å; L3-L7 PolarHBondContact O-N 3.46Å; L7-L9 VanDerWaalsContact C-N 3.3Å; L7-L9 PolarHBondContact O-N 2.94Å; L7-L10 PolarHBondContact O-N 2.91Å; L7-E11 WeakPolarHBondContact O-CB 3.39Å; L7-E11 PolarHBondContact O-N 3.39Å |
| 8 | I | 82.9 | Confident | 74.7 | Confident | 111 Ų | 111 | 118.4 Ų | 118.4 | 57% | 0.569 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.8 | -40 | 177.5 | -68.9 | 164.4 | 0 | 0 | 0 | 110.8 | N4 L6 A12 | N4-I8 WeakPolarHBondContact O-CB 3.28Å; N4-I8 VanDerWaalsContact O-CD1 3.32Å; N4-I8 WeakPolarHBondContact O-CD1 3.44Å; N4-I8 WeakPolarHBondContact O-CG1 3.5Å; N4-I8 PolarHBondContact O-N 3.32Å; N4-I8 VanDerWaalsContact O-N 3.08Å; L6-I8 PolarHBondContact O-N 3.1Å; I8-A12 VanDerWaalsContact O-CB 3.23Å; I8-A12 WeakPolarHBondContact O-CB 3.32Å; I8-A12 PolarHBondContact O-N 3.16Å |
| 9 | L | 86.3 | Confident | 74 | Confident | 124 Ų | 124 | 119.8 Ų | 119.8 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69 | -37.2 | 178.4 | -147.2 | 78.7 | 0 | 0 | 0 | 111.7 | S5 L6 L7 A13 | S5-L9 WeakPolarHBondContact O-CB 3.48Å; S5-L9 PolarHBondContact O-N 3.41Å; L6-L9 PolarHBondContact O-N 3.28Å; L7-L9 VanDerWaalsContact C-N 3.3Å; L7-L9 PolarHBondContact O-N 2.94Å; L9-A13 VanDerWaalsContact O-CB 3.3Å; L9-A13 WeakPolarHBondContact O-CB 3.43Å; L9-A13 PolarHBondContact O-N 3.35Å |
| 10 | L | 83.9 | Confident | 73.1 | Confident | 123 Ų | 123 | 119.2 Ų | 119.2 | 64% | 0.644 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.4 | -45.9 | 174.7 | -126 | 91.8 | 0 | 0 | 0 | 111.3 | L6 L7 A12 A13 E14 | L6-L10 WeakPolarHBondContact O-CB 3.47Å; L6-L10 PolarHBondContact O-N 3.17Å; L7-L10 PolarHBondContact O-N 2.91Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-A13 PolarHBondContact O-N 2.94Å; L10-E14 PolarHBondContact O-N 3.41Å |
| 11 | E | 84.3 | Confident | 72.5 | Confident | 139 Ų | 139 | 120.4 Ų | 120.4 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65 | -39.4 | 178.2 | -174.8 | 169.9 | -173.9 | 0 | 0 | 111.4 | L7 E14 Y15 | L7-E11 WeakPolarHBondContact O-CB 3.39Å; L7-E11 PolarHBondContact O-N 3.39Å; E11-E14 PolarHBondContact O-N 3.46Å; E11-Y15 WeakPolarHBondContact O-CB 3.35Å; E11-Y15 PolarHBondContact O-N 2.69Å |
| 12 | A | 82.9 | Confident | 72.5 | Confident | 48 Ų | 48 | 115.8 Ų | 115.8 | 40% | 0.397 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.6 | -38 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I8 L10 Y15 L16 | I8-A12 VanDerWaalsContact O-CB 3.23Å; I8-A12 WeakPolarHBondContact O-CB 3.32Å; I8-A12 PolarHBondContact O-N 3.16Å; L10-A12 VanDerWaalsContact C-N 3.35Å; A12-Y15 PolarHBondContact O-N 3.46Å; A12-L16 WeakPolarHBondContact O-CG 3.36Å; A12-L16 PolarHBondContact O-N 3.37Å |
| 13 | A | 82.8 | Confident | 72.3 | Confident | 54 Ų | 54 | 111.8 Ų | 111.8 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.5 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L9 L10 Y15 L16 E17 | L9-A13 VanDerWaalsContact O-CB 3.3Å; L9-A13 WeakPolarHBondContact O-CB 3.43Å; L9-A13 PolarHBondContact O-N 3.35Å; L10-A13 PolarHBondContact O-N 2.94Å; A13-Y15 VanDerWaalsContact C-N 3.31Å; A13-Y15 PolarHBondContact O-N 2.69Å; A13-L16 PolarHBondContact O-N 3.49Å; A13-E17 WeakPolarHBondContact O-CB 3.22Å; A13-E17 PolarHBondContact O-N 2.9Å |
| 14 | E | 79.5 | Confident | 72 | Confident | 97 Ų | 97 | 113.1 Ų | 113.1 | 45% | 0.453 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.9 | -37.1 | 175.5 | -162.7 | -172.6 | 167.9 | 0 | 0 | 111.6 | L10 E11 E17 R18 | L10-E14 PolarHBondContact O-N 3.41Å; E11-E14 PolarHBondContact O-N 3.46Å; E14-E17 PolarHBondContact O-N 3.02Å; E14-R18 WeakPolarHBondContact O-CG 3.39Å; E14-R18 PolarHBondContact O-N 3.04Å; E14-R18 IonicContact OE1-CZ 3.54Å; E14-R18 IonicContact OE1-NE 3.38Å; E14-R18 IonicContact OE1-NH2 3.52Å; E14-R18 PolarHBondContact OE1-NH2 3.23Å; E14-R18 IonicContact OE2-NH2 2.73Å |
| 15 | Y | 78.3 | Confident | 71.3 | Confident | 142 Ų | 142 | 114.3 Ų | 114.3 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.6 | -41.4 | 174.9 | -174.7 | -94.3 | 0 | 0 | 0 | 112.6 | E11 A12 A13 R19 | E11-Y15 WeakPolarHBondContact O-CB 3.35Å; E11-Y15 PolarHBondContact O-N 2.69Å; A12-Y15 PolarHBondContact O-N 3.46Å; A13-Y15 VanDerWaalsContact C-N 3.31Å; A13-Y15 PolarHBondContact O-N 2.69Å; Y15-R19 HydrophobicContact CE1-CG 4.1Å; Y15-R19 WeakPolarHBondContact O-CB 3.38Å; Y15-R19 PolarHBondContact O-N 3.2Å |
| 16 | L | 71.9 | Confident | 70.5 | Confident | 104 Ų | 104 | 113.5 Ų | 113.5 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.9 | -40.6 | 173.6 | -72.7 | 172.2 | 0 | 0 | 0 | 111.4 | A12 A13 R18 R19 D20 | A12-L16 WeakPolarHBondContact O-CG 3.36Å; A12-L16 PolarHBondContact O-N 3.37Å; A13-L16 PolarHBondContact O-N 3.49Å; L16-R18 PolarHBondContact O-N 3.33Å; L16-R19 WeakPolarHBondContact O-CB 3.27Å; L16-R19 PolarHBondContact O-N 3.49Å; L16-D20 WeakPolarHBondContact O-CB 3.24Å; L16-D20 VanDerWaalsContact O-CG 3.31Å; L16-D20 PolarHBondContact O-N 2.84Å |
| 17 | E | 69.4 | Low | 69.3 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 47% | 0.467 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.9 | -32.1 | 179.6 | -145.8 | -166.8 | 147.7 | 0 | 0 | 113.1 | A13 E14 R21 | A13-E17 WeakPolarHBondContact O-CB 3.22Å; A13-E17 PolarHBondContact O-N 2.9Å; E14-E17 PolarHBondContact O-N 3.02Å; E17-R21 VanDerWaalsContact CG-NH1 3.34Å; E17-R21 PolarHBondContact O-N 3.24Å; E17-R21 IonicContact OE1-CZ 3.87Å; E17-R21 IonicContact OE1-NH1 2.79Å; E17-R21 PolarHBondContact OE1-NH1 3.44Å; E17-R21 IonicContact OE1-NH2 3.52Å; E17-R21 PolarHBondContact OE1-NH2 3.21Å |
| 18 | R | 68.4 | Low | 67.7 | Low | 140 Ų | 140 | 118 Ų | 118 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.1 | -44.2 | 169.7 | -71.8 | -178 | -159.3 | 174.9 | 6.7 | 111.5 | E14 L16 D20 R21 E22 | E14-R18 WeakPolarHBondContact O-CG 3.39Å; E14-R18 PolarHBondContact O-N 3.04Å; E14-R18 IonicContact OE1-CZ 3.54Å; E14-R18 IonicContact OE1-NE 3.38Å; E14-R18 IonicContact OE1-NH2 3.52Å; E14-R18 PolarHBondContact OE1-NH2 3.23Å; E14-R18 IonicContact OE2-NH2 2.73Å; L16-R18 PolarHBondContact O-N 3.33Å; R18-D20 VanDerWaalsContact C-N 3.34Å; R18-D20 PolarHBondContact O-N 3.36Å; R18-R21 PolarHBondContact O-N 3.46Å; R18-E22 WeakPolarHBondContact O-CB 3.47Å; R18-E22 VanDerWaalsContact O-CG 3.31Å; R18-E22 WeakPolarHBondContact O-CG 3.42Å; R18-E22 PolarHBondContact O-N 3.48Å |
| 19 | R | 61.9 | Low | 66.5 | Low | 146 Ų | 146 | 118.1 Ų | 118.1 | 55% | 0.551 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.3 | -41.5 | 175.7 | -97.6 | -82.1 | -177.8 | 131.7 | -2.5 | 112.7 | Y15 L16 E22 A23 | Y15-R19 HydrophobicContact CE1-CG 4.1Å; Y15-R19 WeakPolarHBondContact O-CB 3.38Å; Y15-R19 PolarHBondContact O-N 3.2Å; L16-R19 WeakPolarHBondContact O-CB 3.27Å; L16-R19 PolarHBondContact O-N 3.49Å; R19-E22 PolarHBondContact O-N 3.04Å; R19-A23 WeakPolarHBondContact O-CB 3.44Å; R19-A23 PolarHBondContact O-N 2.95Å |
| 20 | D | 57 | Low | 64.9 | Low | 106 Ų | 106 | 118.7 Ų | 118.7 | 57% | 0.567 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.6 | -36.4 | -179.1 | -70.9 | -16.2 | 0 | 0 | 0 | 111.3 | L16 R18 A23 E24 | L16-D20 WeakPolarHBondContact O-CB 3.24Å; L16-D20 VanDerWaalsContact O-CG 3.31Å; L16-D20 PolarHBondContact O-N 2.84Å; R18-D20 VanDerWaalsContact C-N 3.34Å; R18-D20 PolarHBondContact O-N 3.36Å; D20-A23 PolarHBondContact O-N 3.35Å; D20-E24 PolarHBondContact O-N 3.48Å |
| 21 | R | 60.3 | Low | 63.5 | Low | 146 Ų | 146 | 119.9 Ų | 119.9 | 55% | 0.551 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.9 | -38.7 | 170.7 | -81.6 | -171.7 | -172 | 87.1 | 2.6 | 113.3 | E17 R18 A23 E24 H25 | E17-R21 VanDerWaalsContact CG-NH1 3.34Å; E17-R21 PolarHBondContact O-N 3.24Å; E17-R21 IonicContact OE1-CZ 3.87Å; E17-R21 IonicContact OE1-NH1 2.79Å; E17-R21 PolarHBondContact OE1-NH1 3.44Å; E17-R21 IonicContact OE1-NH2 3.52Å; E17-R21 PolarHBondContact OE1-NH2 3.21Å; R18-R21 PolarHBondContact O-N 3.46Å; R21-A23 VanDerWaalsContact C-N 3.35Å; R21-E24 PolarHBondContact O-N 3.31Å; R21-H25 PolarHBondContact O-N 2.88Å; R21-H25 VanDerWaalsContact O-N 3.17Å |
| 22 | E | 53.8 | Low | 61.6 | Low | 130 Ų | 130 | 118.7 Ų | 118.7 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.8 | -30.7 | 177.5 | -73.8 | 171.8 | -165.2 | 0 | 0 | 112.5 | R18 R19 E24 G26 | R18-E22 WeakPolarHBondContact O-CB 3.47Å; R18-E22 VanDerWaalsContact O-CG 3.31Å; R18-E22 WeakPolarHBondContact O-CG 3.42Å; R18-E22 PolarHBondContact O-N 3.48Å; R19-E22 PolarHBondContact O-N 3.04Å; E22-E24 PolarHBondContact O-N 3.4Å; E22-G26 PolarHBondContact O-N 2.95Å |
| 23 | A | 56.3 | Low | 59.6 | Low | 84 Ų | 84 | 125.5 Ų | 125.5 | 69% | 0.694 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68 | -23.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R19 D20 R21 | R19-A23 WeakPolarHBondContact O-CB 3.44Å; R19-A23 PolarHBondContact O-N 2.95Å; D20-A23 PolarHBondContact O-N 3.35Å; R21-A23 VanDerWaalsContact C-N 3.35Å |
| 24 | E | 52 | Low | 57.6 | Low | 160 Ų | 160 | 130.2 Ų | 130.2 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -101.7 | -20.2 | 179.3 | -63.8 | -170.6 | 172.6 | 0 | 0 | 114 | D20 R21 E22 | D20-E24 PolarHBondContact O-N 3.48Å; R21-E24 PolarHBondContact O-N 3.31Å; E22-E24 PolarHBondContact O-N 3.4Å |
| 25 | H | 53.9 | Low | 55.9 | Low | 144 Ų | 144 | 128.2 Ų | 128.2 | 67% | 0.667 | 67% | 0.671 | S | S | * | * | trans | -126.4 | 36.3 | -176.2 | -72.6 | -56.5 | 0 | 0 | 0 | 115.1 | R21 Y27 | R21-H25 PolarHBondContact O-N 2.88Å; R21-H25 VanDerWaalsContact O-N 3.17Å; H25-Y27 PolarHBondContact O-N 3.23Å | ||
| 26 | G | 55.2 | Low | 54.1 | Low | 61 Ų | 61 | 127.8 Ų | 127.8 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 16.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | E22 | E22-G26 PolarHBondContact O-N 2.95Š|
| 27 | Y | 52 | Low | 52.5 | Low | 235 Ų | 235 | 131.3 Ų | 131.3 | 92% | 0.922 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 10.4 | -177.7 | -73.6 | -75.9 | 0 | 0 | 0 | 115.8 | H25 | H25-Y27 PolarHBondContact O-N 3.23Š|
| 28 | A | 49.5 | Very low | 51.1 | Low | 85 Ų | 85 | 132.8 Ų | 132.8 | 70% | 0.702 | 71% | 0.705 | S | S | * | * | trans | -140.2 | 43 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 29 | S | 56.9 | Low | 50.4 | Low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | -113.3 | 109.9 | 159 | -169.5 | 0 | 0 | 0 | 0 | 108.9 | L31 | S29-L31 PolarHBondContact O-N 2.98Š| ||
| 30 | V | 52.3 | Low | 49.6 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | -67.9 | 107.4 | -179.9 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 31 | L | 55.2 | Low | 49.4 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | trans | -109.2 | 137.9 | 154 | -71.8 | 179.5 | 0 | 0 | 0 | 108.3 | S29 F33 | S29-L31 PolarHBondContact O-N 2.98Å; L31-F33 PolarHBondContact O-N 2.96Å; L31-F33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | P | 45.1 | Very low | 48.7 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | trans | -58.1 | 121.1 | -179.3 | -18.7 | 30.5 | 0 | 0 | 0 | 109.7 | D34 | P32-D34 PolarHBondContact O-N 3.19Š| ||
| 33 | F | 39.2 | Very low | 48.6 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -73 | 111.5 | 173.6 | 179.2 | -92.3 | 0 | 0 | 0 | 108.6 | L31 | L31-F33 PolarHBondContact O-N 2.96Å; L31-F33 VanDerWaalsContact O-N 3.14Å | ||
| 34 | D | 41.4 | Very low | 48.5 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -121.4 | 118.4 | 162.2 | -83.2 | -45.2 | 0 | 0 | 0 | 109.4 | P32 | P32-D34 PolarHBondContact O-N 3.19Š| ||
| 35 | G | 44.9 | Very low | 48.5 | Very low | 55 Ų | 55 | 141 Ų | 141 | 57% | 0.567 | 77% | 0.769 | S | S | * | * | trans | 73 | 98.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 36 | D | 39.8 | Very low | 48.3 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | 53.8 | 148.3 | 129.8 | -75.7 | -36.1 | 0 | 0 | 0 | 123.1 | |||||
| 37 | F | 38.5 | Very low | 48.3 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | 106.2 | 124.8 | 152.4 | -56.8 | -73.4 | 0 | 0 | 0 | 118.9 | ||||
| 38 | T | 39.1 | Very low | 48.5 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | 88.8 | 84.3 | 154.6 | 72.7 | 0 | 0 | 0 | 0 | 118.7 | E40 | T38-E40 PolarHBondContact O-N 3.21Å; T38-E40 VanDerWaalsContact O-N 3.07Å | ||
| 39 | R | 53.3 | Low | 48.9 | Very low | 255 Ų | 255 | 145.1 Ų | 145.1 | 96% | 0.962 | 78% | 0.782 | S | S | * | * | trans | -56.7 | 94.6 | 145.2 | 176.4 | -178.8 | 166.6 | 178.9 | -3.3 | 110 | ||||
| 40 | E | 45.4 | Very low | 49 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | -155.7 | 121.2 | 156.7 | -97.7 | -115.7 | 119.1 | 0 | 0 | 112.7 | T38 | T38-E40 PolarHBondContact O-N 3.21Å; T38-E40 VanDerWaalsContact O-N 3.07Å | ||
| 41 | K | 53.8 | Low | 49.4 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | trans | 31.8 | 115 | 156 | -71.2 | 168.6 | -172.8 | 125.4 | 0 | 119.7 | ||||
| 42 | T | 45.1 | Very low | 49.7 | Very low | 140 Ų | 140 | 143 Ų | 143 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | -138 | 92.1 | 126.9 | 36.3 | 0 | 0 | 0 | 0 | 110.8 | A44 | T42-A44 PolarHBondContact O-N 3.37Å; T42-A44 VanDerWaalsContact O-N 3.12Å | |||
| 43 | K | 52.4 | Low | 50.5 | Low | 206 Ų | 206 | 142.9 Ų | 142.9 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -66.3 | 94.7 | 155.5 | -69 | 178.3 | 177.1 | -180 | 0 | 107.7 | ||||
| 44 | A | 53.2 | Low | 52.4 | Low | 87 Ų | 87 | 139.1 Ų | 139.1 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | trans | -154.9 | 6.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | T42 | T42-A44 PolarHBondContact O-N 3.37Å; T42-A44 VanDerWaalsContact O-N 3.12Å | ||
| 45 | A | 52.2 | Low | 54.6 | Low | 99 Ų | 99 | 141.4 Ų | 141.4 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -117.5 | 3.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 46 | S | 50.7 | Low | 56.6 | Low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -104.7 | 1 | 176.7 | -177.8 | 0 | 0 | 0 | 0 | 114.2 | V48 | S46-V48 PolarHBondContact O-N 3.21Š|
| 47 | L | 53.3 | Low | 59.1 | Low | 151 Ų | 151 | 138.5 Ų | 138.5 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -94 | 52 | 173.2 | -59.6 | 179.2 | 0 | 0 | 0 | 110.4 | R49 | L47-R49 PolarHBondContact O-N 2.81Š| ||
| 48 | V | 57.1 | Low | 61.8 | Low | 126 Ų | 126 | 135.7 Ų | 135.7 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | trans | -65.5 | 89.2 | 149.5 | 177.3 | 0 | 0 | 0 | 0 | 104.5 | S46 K50 | S46-V48 PolarHBondContact O-N 3.21Å; V48-K50 PolarHBondContact O-N 2.93Å | ||
| 49 | R | 57.4 | Low | 64.6 | Low | 223 Ų | 223 | 133.8 Ų | 133.8 | 84% | 0.842 | 70% | 0.696 | S | S | * | * | trans | -54.5 | 91.8 | 170.2 | -70.7 | 179 | 173.9 | -175 | -1.6 | 106.3 | L47 A51 | L47-R49 PolarHBondContact O-N 2.81Å; R49-A51 PolarHBondContact O-N 3.28Å | ||
| 50 | K | 59.6 | Low | 66.6 | Low | 189 Ų | 189 | 126.7 Ų | 126.7 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | trans | -56.3 | 97.2 | 154.5 | -87.5 | 174.8 | 173.3 | 169.7 | 0 | 104.1 | V48 | V48-K50 PolarHBondContact O-N 2.93Š| ||
| 51 | A | 60.8 | Low | 69 | Low | 42 Ų | 42 | 125.4 Ų | 125.4 | 35% | 0.347 | 67% | 0.67 | S | S | . | * | trans | -52.1 | 131.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | R49 N53 N54 | R49-A51 PolarHBondContact O-N 3.28Å; A51-N53 HydrophobicContact CB-CB 4.4Å; A51-N53 PolarHBondContact O-N 3.47Å; A51-N54 PolarHBondContact O-N 3.17Å | ||
| 52 | P | 60.8 | Low | 71.1 | Confident | 121 Ų | 121 | 120.1 Ų | 120.1 | 79% | 0.786 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -18.7 | 177.6 | 23.6 | -33.3 | 0 | 0 | 0 | 111.9 | N54 | P52-N54 VanDerWaalsContact C-N 3.33Å; P52-N54 PolarHBondContact O-N 3.32Å |
| 53 | N | 63.2 | Low | 73.6 | Confident | 111 Ų | 111 | 119.8 Ų | 119.8 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.1 | -28.3 | 176.4 | -157.8 | 12.5 | 0 | 0 | 0 | 113.9 | A51 R55 S56 S57 | A51-N53 HydrophobicContact CB-CB 4.4Å; A51-N53 PolarHBondContact O-N 3.47Å; N53-R55 VanDerWaalsContact C-N 3.31Å; N53-R55 PolarHBondContact O-N 2.84Å; N53-S56 PolarHBondContact O-N 3.21Å; N53-S57 VanDerWaalsContact O-CB 3.31Å; N53-S57 WeakPolarHBondContact O-CB 3.29Å; N53-S57 PolarHBondContact O-N 3.34Å |
| 54 | N | 77.8 | Confident | 75.8 | Confident | 112 Ų | 112 | 115 Ų | 115 | 60% | 0.599 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.7 | -32.5 | -176.7 | -68.3 | 22.9 | 0 | 0 | 0 | 112 | A51 P52 H58 | A51-N54 PolarHBondContact O-N 3.17Å; P52-N54 VanDerWaalsContact C-N 3.33Å; P52-N54 PolarHBondContact O-N 3.32Å; N54-H58 VanDerWaalsContact O-CB 3.29Å; N54-H58 WeakPolarHBondContact O-CB 3.21Å; N54-H58 PolarHBondContact O-N 3.08Å; N54-H58 VanDerWaalsContact O-N 3.12Å |
| 55 | R | 87.8 | Confident | 77.9 | Confident | 201 Ų | 201 | 117.1 Ų | 117.1 | 76% | 0.758 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.9 | -38.9 | 177.5 | -170.4 | 176.8 | 179.6 | -178.5 | -0.8 | 111.8 | N53 N59 | N53-R55 VanDerWaalsContact C-N 3.31Å; N53-R55 PolarHBondContact O-N 2.84Å; R55-N59 PolarHBondContact O-N 2.92Å; R55-N59 VanDerWaalsContact O-N 3.1Å |
| 56 | S | 87.3 | Confident | 80.1 | Confident | 66 Ų | 66 | 118.7 Ų | 118.7 | 46% | 0.462 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.9 | -46.3 | 176.8 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | N53 H58 N59 E60 | N53-S56 PolarHBondContact O-N 3.21Å; S56-H58 PolarHBondContact O-N 2.9Å; S56-N59 PolarHBondContact O-N 3.01Å; S56-N59 VanDerWaalsContact O-N 3.15Å; S56-E60 PolarHBondContact O-N 2.94Å |
| 57 | S | 93.1 | Very high | 82.3 | Confident | 61 Ų | 61 | 115.7 Ų | 115.7 | 43% | 0.427 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.8 | -45.7 | 174.3 | 173.4 | 0 | 0 | 0 | 0 | 112 | N53 N59 E60 L61 | N53-S57 VanDerWaalsContact O-CB 3.31Å; N53-S57 WeakPolarHBondContact O-CB 3.29Å; N53-S57 PolarHBondContact O-N 3.34Å; S57-N59 PolarHBondContact O-N 2.92Å; S57-E60 PolarHBondContact O-N 3.39Å; S57-L61 WeakPolarHBondContact O-CG 3.34Å; S57-L61 PolarHBondContact O-N 2.93Å |
| 58 | H | 95.6 | Very high | 84.4 | Confident | 120 Ų | 120 | 113.3 Ų | 113.3 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -57.9 | -44.1 | 174.2 | 177 | -81.3 | 0 | 0 | 0 | 112.8 | N54 S56 L61 E62 | N54-H58 VanDerWaalsContact O-CB 3.29Å; N54-H58 WeakPolarHBondContact O-CB 3.21Å; N54-H58 PolarHBondContact O-N 3.08Å; N54-H58 VanDerWaalsContact O-N 3.12Å; S56-H58 PolarHBondContact O-N 2.9Å; H58-L61 PolarHBondContact O-N 3.42Å; H58-E62 WeakPolarHBondContact O-CB 3.49Å; H58-E62 PolarHBondContact O-N 2.93Å |
| 59 | N | 96.1 | Very high | 86.4 | Confident | 90 Ų | 90 | 111.1 Ų | 111.1 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 178.4 | -81.3 | -8 | 0 | 0 | 0 | 112.7 | R55 S56 S57 E62 K63 | R55-N59 PolarHBondContact O-N 2.92Å; R55-N59 VanDerWaalsContact O-N 3.1Å; S56-N59 PolarHBondContact O-N 3.01Å; S56-N59 VanDerWaalsContact O-N 3.15Å; S57-N59 PolarHBondContact O-N 2.92Å; N59-E62 PolarHBondContact O-N 3.29Å; N59-K63 VanDerWaalsContact O-CB 3.27Å; N59-K63 WeakPolarHBondContact O-CB 3.5Å; N59-K63 PolarHBondContact O-N 3.49Å |
| 60 | E | 95.9 | Very high | 88.2 | Confident | 106 Ų | 106 | 108.5 Ų | 108.5 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 176.5 | -73.1 | -55.4 | 132.1 | 0 | 0 | 111.6 | S56 S57 E62 K63 H64 | S56-E60 PolarHBondContact O-N 2.94Å; S57-E60 PolarHBondContact O-N 3.39Å; E60-E62 PolarHBondContact O-N 3.15Å; E60-K63 PolarHBondContact O-N 2.94Å; E60-K63 IonicContact OE2-NZ 3.1Å; E60-H64 PolarHBondContact O-N 3.29Å |
| 61 | L | 96.2 | Very high | 90 | Very high | 118 Ų | 118 | 103.6 Ų | 103.6 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 174.2 | -67.6 | 176.7 | 0 | 0 | 0 | 111.8 | S57 H58 H64 R65 | S57-L61 WeakPolarHBondContact O-CG 3.34Å; S57-L61 PolarHBondContact O-N 2.93Å; H58-L61 PolarHBondContact O-N 3.42Å; L61-H64 PolarHBondContact O-N 2.86Å; L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 PolarHBondContact O-N 3.28Å |
| 62 | E | 97.4 | Very high | 91.7 | Very high | 41 Ų | 41 | 108.4 Ų | 108.4 | 19% | 0.192 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 178 | 179 | 57.7 | -163.5 | 0 | 0 | 111.9 | H58 N59 E60 R65 R66 | H58-E62 WeakPolarHBondContact O-CB 3.49Å; H58-E62 PolarHBondContact O-N 2.93Å; N59-E62 PolarHBondContact O-N 3.29Å; E60-E62 PolarHBondContact O-N 3.15Å; E62-R65 PolarHBondContact O-N 3.16Å; E62-R65 IonicContact OE1-CZ 3.54Å; E62-R65 IonicContact OE1-NE 2.75Å; E62-R65 IonicContact OE1-NH2 3.47Å; E62-R65 PolarHBondContact OE1-NH2 3.4Å; E62-R65 IonicContact OE2-CZ 3.97Å; E62-R65 IonicContact OE2-NE 2.75Å; E62-R65 PolarHBondContact OE2-NE 3.13Å; E62-R65 IonicContact OE2-NH2 3.57Å; E62-R65 PolarHBondContact OE2-NH2 3.48Å; E62-R66 WeakPolarHBondContact O-CB 3.29Å; E62-R66 VanDerWaalsContact O-CG 3.27Å; E62-R66 WeakPolarHBondContact O-CG 3.37Å; E62-R66 PolarHBondContact O-N 2.99Å; E62-R66 IonicContact OE1-CZ 3.57Å; E62-R66 IonicContact OE1-NE 3.21Å; E62-R66 PolarHBondContact OE1-NE 2.95Å; E62-R66 IonicContact OE1-NH2 2.82Å; E62-R66 PolarHBondContact OE1-NH2 3.43Å |
| 63 | K | 98 | Very high | 93.3 | Very high | 132 Ų | 132 | 103.9 Ų | 103.9 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.3 | -46.9 | 173.6 | -178.3 | -176.7 | 174.3 | -169.6 | 0 | 110.9 | N59 E60 R66 A67 | N59-K63 VanDerWaalsContact O-CB 3.27Å; N59-K63 WeakPolarHBondContact O-CB 3.5Å; N59-K63 PolarHBondContact O-N 3.49Å; E60-K63 PolarHBondContact O-N 2.94Å; E60-K63 IonicContact OE2-NZ 3.1Å; K63-R66 PolarHBondContact O-N 3.34Å; K63-A67 PolarHBondContact O-N 3.19Å |
| 64 | H | 97.8 | Very high | 94.7 | Very high | 107 Ų | 107 | 104 Ų | 104 | 50% | 0.495 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 174.8 | -174.4 | 52.4 | 0 | 0 | 0 | 111.9 | E60 L61 R66 A67 K68 | E60-H64 PolarHBondContact O-N 3.29Å; L61-H64 PolarHBondContact O-N 2.86Å; H64-R66 VanDerWaalsContact C-N 3.32Å; H64-R66 PolarHBondContact O-N 2.96Å; H64-A67 WeakPolarHBondContact O-CB 3.48Å; H64-A67 PolarHBondContact O-N 3.4Å; H64-A67 VanDerWaalsContact O-N 3.17Å; H64-K68 VanDerWaalsContact NE2-CE 3.32Å; H64-K68 WeakPolarHBondContact NE2-CE 3.38Å; H64-K68 PolarHBondContact O-N 2.87Å |
| 65 | R | 98.1 | Very high | 95.5 | Very high | 130 Ų | 130 | 103.7 Ų | 103.7 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58 | -43.9 | 176.3 | -166.1 | -166.1 | 70.7 | 81.2 | 2 | 111.6 | L61 E62 K68 L69 | L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 PolarHBondContact O-N 3.28Å; E62-R65 PolarHBondContact O-N 3.16Å; E62-R65 IonicContact OE1-CZ 3.54Å; E62-R65 IonicContact OE1-NE 2.75Å; E62-R65 IonicContact OE1-NH2 3.47Å; E62-R65 PolarHBondContact OE1-NH2 3.4Å; E62-R65 IonicContact OE2-CZ 3.97Å; E62-R65 IonicContact OE2-NE 2.75Å; E62-R65 PolarHBondContact OE2-NE 3.13Å; E62-R65 IonicContact OE2-NH2 3.57Å; E62-R65 PolarHBondContact OE2-NH2 3.48Å; R65-K68 PolarHBondContact O-N 3.17Å; R65-L69 PolarHBondContact O-N 2.94Å |
| 66 | R | 97.7 | Very high | 95.9 | Very high | 132 Ų | 132 | 96.4 Ų | 96.4 | 50% | 0.498 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 176.6 | -73.7 | 177.9 | -173 | -171.3 | 1.9 | 112.7 | E62 K63 H64 L69 R70 | E62-R66 WeakPolarHBondContact O-CB 3.29Å; E62-R66 VanDerWaalsContact O-CG 3.27Å; E62-R66 WeakPolarHBondContact O-CG 3.37Å; E62-R66 PolarHBondContact O-N 2.99Å; E62-R66 IonicContact OE1-CZ 3.57Å; E62-R66 IonicContact OE1-NE 3.21Å; E62-R66 PolarHBondContact OE1-NE 2.95Å; E62-R66 IonicContact OE1-NH2 2.82Å; E62-R66 PolarHBondContact OE1-NH2 3.43Å; K63-R66 PolarHBondContact O-N 3.34Å; H64-R66 VanDerWaalsContact C-N 3.32Å; H64-R66 PolarHBondContact O-N 2.96Å; R66-L69 PolarHBondContact O-N 2.79Å; R66-R70 WeakPolarHBondContact O-CG 3.47Å; R66-R70 PolarHBondContact O-N 3.49Å |
| 67 | A | 97.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 96.6 Ų | 96.6 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | K63 H64 L69 R70 L71 | K63-A67 PolarHBondContact O-N 3.19Å; H64-A67 WeakPolarHBondContact O-CB 3.48Å; H64-A67 PolarHBondContact O-N 3.4Å; H64-A67 VanDerWaalsContact O-N 3.17Å; A67-L69 VanDerWaalsContact C-N 3.34Å; A67-L69 PolarHBondContact O-N 3Å; A67-R70 PolarHBondContact O-N 3.46Å; A67-L71 PolarHBondContact O-N 3.28Å; A67-L71 VanDerWaalsContact O-N 3.09Å |
| 68 | K | 97.9 | Very high | 95.9 | Very high | 101 Ų | 101 | 101.2 Ų | 101.2 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 173.9 | -72.9 | -176.2 | 173 | -179 | 0 | 112.8 | H64 R65 R70 L71 Y72 | H64-K68 VanDerWaalsContact NE2-CE 3.32Å; H64-K68 WeakPolarHBondContact NE2-CE 3.38Å; H64-K68 PolarHBondContact O-N 2.87Å; R65-K68 PolarHBondContact O-N 3.17Å; K68-R70 VanDerWaalsContact C-N 3.31Å; K68-R70 PolarHBondContact O-N 3.11Å; K68-L71 WeakPolarHBondContact O-CB 3.36Å; K68-L71 PolarHBondContact O-N 3.41Å; K68-Y72 PolarHBondContact O-N 3.29Å |
| 69 | L | 97.6 | Very high | 95.8 | Very high | 80 Ų | 80 | 101.7 Ų | 101.7 | 42% | 0.419 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.8 | 177.3 | 61.7 | 0 | 0 | 0 | 111.8 | R65 R66 A67 L71 Y72 L73 | R65-L69 PolarHBondContact O-N 2.94Å; R66-L69 PolarHBondContact O-N 2.79Å; A67-L69 VanDerWaalsContact C-N 3.34Å; A67-L69 PolarHBondContact O-N 3Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.11Å; L69-Y72 PolarHBondContact O-N 3.42Å; L69-L73 HydrophobicContact CD1-CD1 4.35Å; L69-L73 HydrophobicContact CD1-CG 4.31Å; L69-L73 HydrophobicContact CG-CD1 4.18Å; L69-L73 WeakPolarHBondContact O-CG 3.5Å; L69-L73 PolarHBondContact O-N 3.13Å |
| 70 | R | 95.8 | Very high | 95.7 | Very high | 168 Ų | 168 | 97.9 Ų | 97.9 | 63% | 0.634 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 176.7 | -71.2 | 178.3 | -175.8 | 121.3 | -4.5 | 111.6 | R66 A67 K68 L73 E74 | R66-R70 WeakPolarHBondContact O-CG 3.47Å; R66-R70 PolarHBondContact O-N 3.49Å; A67-R70 PolarHBondContact O-N 3.46Å; K68-R70 VanDerWaalsContact C-N 3.31Å; K68-R70 PolarHBondContact O-N 3.11Å; R70-L73 PolarHBondContact O-N 2.94Å; R70-E74 WeakPolarHBondContact O-CB 3.45Å; R70-E74 PolarHBondContact O-N 3.28Å |
| 71 | L | 96.9 | Very high | 95.2 | Very high | 86 Ų | 86 | 97 Ų | 97 | 45% | 0.45 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 175.1 | 177.4 | 67 | 0 | 0 | 0 | 111.8 | A67 K68 L69 L73 E74 Q75 | A67-L71 PolarHBondContact O-N 3.28Å; A67-L71 VanDerWaalsContact O-N 3.09Å; K68-L71 WeakPolarHBondContact O-CB 3.36Å; K68-L71 PolarHBondContact O-N 3.41Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.11Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 3.11Å; L71-E74 WeakPolarHBondContact O-CB 3.43Å; L71-E74 PolarHBondContact O-N 3.41Å; L71-E74 VanDerWaalsContact O-N 3.14Å; L71-Q75 WeakPolarHBondContact O-CG 3.3Å; L71-Q75 PolarHBondContact O-N 3.05Å |
| 72 | Y | 96.7 | Very high | 94.5 | Very high | 143 Ų | 143 | 91.9 Ų | 91.9 | 56% | 0.561 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64 | -36.8 | 178.4 | -64.2 | -29.6 | 0 | 0 | 0 | 112.8 | K68 L69 E74 Q75 L76 | K68-Y72 PolarHBondContact O-N 3.29Å; L69-Y72 PolarHBondContact O-N 3.42Å; Y72-E74 VanDerWaalsContact C-N 3.31Å; Y72-Q75 PolarHBondContact O-N 3.4Å; Y72-L76 WeakPolarHBondContact O-CB 3.34Å; Y72-L76 PolarHBondContact O-N 3.16Å |
| 73 | L | 94.9 | Very high | 93.3 | Very high | 27 Ų | 27 | 92.2 Ų | 92.2 | 14% | 0.141 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.7 | -33.2 | 174.5 | -68.8 | 173.8 | 0 | 0 | 0 | 112.1 | L69 R70 L71 K77 T91 L94 | L69-L73 HydrophobicContact CD1-CD1 4.35Å; L69-L73 HydrophobicContact CD1-CG 4.31Å; L69-L73 HydrophobicContact CG-CD1 4.18Å; L69-L73 WeakPolarHBondContact O-CG 3.5Å; L69-L73 PolarHBondContact O-N 3.13Å; R70-L73 PolarHBondContact O-N 2.94Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 3.11Å; L73-K77 VanDerWaalsContact O-CG 3.28Å; L73-K77 WeakPolarHBondContact O-CG 3.38Å; L73-K77 PolarHBondContact O-N 2.77Å; L73-K77 VanDerWaalsContact O-N 3.16Å; L73-T91 HydrophobicContact CD1-CG2 3.79Å; L73-T91 HydrophobicContact CD2-CG2 3.85Å; L73-L94 HydrophobicContact CB-CD2 4.42Å; L73-L94 HydrophobicContact CD2-CD2 4.09Å |
| 74 | E | 92.9 | Very high | 91.8 | Very high | 114 Ų | 114 | 92.1 Ų | 92.1 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.2 | -46 | 174.7 | -173.9 | 171.6 | -170.9 | 0 | 0 | 111.8 | R70 L71 Y72 L76 K77 Q78 | R70-E74 WeakPolarHBondContact O-CB 3.45Å; R70-E74 PolarHBondContact O-N 3.28Å; L71-E74 WeakPolarHBondContact O-CB 3.43Å; L71-E74 PolarHBondContact O-N 3.41Å; L71-E74 VanDerWaalsContact O-N 3.14Å; Y72-E74 VanDerWaalsContact C-N 3.31Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.13Å; E74-K77 WeakPolarHBondContact O-CB 3.46Å; E74-K77 PolarHBondContact O-N 2.94Å; E74-K77 VanDerWaalsContact O-N 3.11Å; E74-Q78 PolarHBondContact O-N 3.28Å |
| 75 | Q | 95.1 | Very high | 90.1 | Very high | 105 Ų | 105 | 91.4 Ų | 91.4 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 172.8 | -70.7 | 176 | -18.1 | 0 | 0 | 111.6 | L71 Y72 K77 Q78 L79 | L71-Q75 WeakPolarHBondContact O-CG 3.3Å; L71-Q75 PolarHBondContact O-N 3.05Å; Y72-Q75 PolarHBondContact O-N 3.4Å; Q75-K77 PolarHBondContact O-N 2.92Å; Q75-Q78 PolarHBondContact O-N 3.36Å; Q75-Q78 VanDerWaalsContact O-N 3.11Å; Q75-L79 PolarHBondContact O-N 3.09Å |
| 76 | L | 94.4 | Very high | 88.7 | Confident | 47 Ų | 47 | 88.1 Ų | 88.1 | 25% | 0.246 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.6 | -34.3 | 177.6 | -178.2 | 60.5 | 0 | 0 | 0 | 112.2 | Y72 E74 Q78 L79 V80 L94 L95 A98 | Y72-L76 WeakPolarHBondContact O-CB 3.34Å; Y72-L76 PolarHBondContact O-N 3.16Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.13Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 3.14Å; L76-L79 PolarHBondContact O-N 3.17Å; L76-V80 HydrophobicContact CD1-CG2 3.75Å; L76-V80 HydrophobicContact CG-CG2 4.15Å; L76-V80 VanDerWaalsContact O-CG2 3.32Å; L76-V80 WeakPolarHBondContact O-CG2 3.32Å; L76-V80 PolarHBondContact O-N 3.33Å; L76-V80 VanDerWaalsContact O-N 3.13Å; L76-L94 HydrophobicContact CB-CD2 4.35Å; L76-L94 HydrophobicContact CD2-CD1 4.38Å; L76-L94 HydrophobicContact CD2-CD2 3.97Å; L76-L94 HydrophobicContact CD2-CG 3.83Å; L76-L94 HydrophobicContact CG-CD1 4.13Å; L76-L94 HydrophobicContact CG-CD2 4.21Å; L76-L94 HydrophobicContact CG-CG 4.1Å; L76-L95 HydrophobicContact CD2-CD2 3.93Å; L76-A98 HydrophobicContact CD1-CB 4.03Å; L76-A98 HydrophobicContact CD2-CB 4.28Å; L76-A98 HydrophobicContact CG-CB 4.48Å |
| 77 | K | 91.3 | Very high | 87.2 | Confident | 71 Ų | 71 | 88 Ų | 88 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.6 | -32.2 | 177.2 | -70.3 | 163.4 | -175.3 | 179.5 | 0 | 113.3 | L73 E74 Q75 L79 L82 H89 L94 | L73-K77 VanDerWaalsContact O-CG 3.28Å; L73-K77 WeakPolarHBondContact O-CG 3.38Å; L73-K77 PolarHBondContact O-N 2.77Å; L73-K77 VanDerWaalsContact O-N 3.16Å; E74-K77 WeakPolarHBondContact O-CB 3.46Å; E74-K77 PolarHBondContact O-N 2.94Å; E74-K77 VanDerWaalsContact O-N 3.11Å; Q75-K77 PolarHBondContact O-N 2.92Å; K77-L79 VanDerWaalsContact C-N 3.29Å; K77-L82 HydrophobicContact CB-CD1 3.68Å; K77-L82 HydrophobicContact CG-CD1 3.74Å; K77-H89 WeakPolarHBondContact CD-NE2 3.32Å; K77-H89 WeakPolarHBondContact CE-CE1 3.48Å; K77-H89 WeakPolarHBondContact CE-NE2 3.45Å; K77-H89 PolarHBondContact NZ-CE1 2.83Å; K77-L94 HydrophobicContact CG-CD1 3.92Å; K77-L94 HydrophobicContact CG-CD2 3.72Å; K77-L94 HydrophobicContact CG-CG 4.47Å |
| 78 | Q | 90.8 | Very high | 86.2 | Confident | 157 Ų | 157 | 96.5 Ų | 96.5 | 73% | 0.734 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.1 | -27.7 | 178.4 | -59.3 | -61.4 | -17.2 | 0 | 0 | 112.2 | E74 Q75 L76 | E74-Q78 PolarHBondContact O-N 3.28Å; Q75-Q78 PolarHBondContact O-N 3.36Å; Q75-Q78 VanDerWaalsContact O-N 3.11Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 3.14Å |
| 79 | L | 92.8 | Very high | 85.7 | Confident | 131 Ų | 131 | 93.7 Ų | 93.7 | 69% | 0.686 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -89 | -26.1 | -178.7 | -61.8 | 176.3 | 0 | 0 | 0 | 113.3 | Q75 L76 K77 | Q75-L79 PolarHBondContact O-N 3.09Å; L76-L79 PolarHBondContact O-N 3.17Å; K77-L79 VanDerWaalsContact C-N 3.29Å |
| 80 | V | 92.8 | Very high | 85.5 | Confident | 10 Ų | 10 | 94 Ų | 94 | 6% | 0.061 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -94.5 | 129.2 | -176.6 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | L76 L82 L94 R97 A98 | L76-V80 HydrophobicContact CD1-CG2 3.75Å; L76-V80 HydrophobicContact CG-CG2 4.15Å; L76-V80 VanDerWaalsContact O-CG2 3.32Å; L76-V80 WeakPolarHBondContact O-CG2 3.32Å; L76-V80 PolarHBondContact O-N 3.33Å; L76-V80 VanDerWaalsContact O-N 3.13Å; V80-L82 HydrophobicContact CB-CD2 4.49Å; V80-L82 HydrophobicContact CB-CG 4.2Å; V80-L82 HydrophobicContact CG1-CD2 3.96Å; V80-L82 HydrophobicContact CG1-CG 4.05Å; V80-L82 WeakPolarHBondContact O-CG 3.42Å; V80-L82 PolarHBondContact O-N 3.27Å; V80-L94 HydrophobicContact CB-CD1 4.35Å; V80-L94 HydrophobicContact CG2-CD1 4.44Å; V80-R97 HydrophobicContact CG1-CB 4.07Å; V80-A98 HydrophobicContact CG2-CB 3.7Å |
| 81 | P | 87.3 | Confident | 85.3 | Confident | 88 Ų | 88 | 89.6 Ų | 89.6 | 57% | 0.571 | 47% | 0.473 | S | S | * | . | trans | -69.6 | 93.4 | 173 | 26.3 | -31.1 | 0 | 0 | 0 | 109.5 | H101 | P81-H101 VanDerWaalsContact CD-CD2 3.43Å; P81-H101 WeakPolarHBondContact CD-CD2 3.4Å; P81-H101 WeakPolarHBondContact CD-NE2 3.4Å | ||
| 82 | L | 80.2 | Confident | 85.2 | Confident | 10 Ų | 10 | 90.7 Ų | 90.7 | 5% | 0.052 | 48% | 0.479 | C | S | . | . | trans | -88.1 | -11.1 | -177.1 | -68.3 | 159.3 | 0 | 0 | 0 | 112.9 | K77 V80 L94 R97 | K77-L82 HydrophobicContact CB-CD1 3.68Å; K77-L82 HydrophobicContact CG-CD1 3.74Å; V80-L82 HydrophobicContact CB-CD2 4.49Å; V80-L82 HydrophobicContact CB-CG 4.2Å; V80-L82 HydrophobicContact CG1-CD2 3.96Å; V80-L82 HydrophobicContact CG1-CG 4.05Å; V80-L82 WeakPolarHBondContact O-CG 3.42Å; V80-L82 PolarHBondContact O-N 3.27Å; L82-L94 HydrophobicContact CD1-CD1 3.73Å; L82-L94 HydrophobicContact CD2-CD1 3.74Å; L82-L94 HydrophobicContact CG-CD1 4.25Å; L82-R97 PolarHBondContact O-NH1 2.81Å | ||
| 83 | G | 73 | Confident | 85 | Confident | 48 Ų | 48 | 85.5 Ų | 85.5 | 50% | 0.495 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | 66.5 | -170.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D85 S86 | G83-D85 PolarHBondContact O-N 2.85Å; G83-S86 PolarHBondContact O-N 3.12Å |
| 84 | P | 66.8 | Low | 84.9 | Confident | 130 Ų | 130 | 84.3 Ų | 84.3 | 84% | 0.844 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -62.5 | -8.5 | 179 | 24.8 | -33 | 0 | 0 | 0 | 114 | S86 | P84-S86 PolarHBondContact O-N 2.95Š|
| 85 | D | 61.6 | Low | 85 | Confident | 92 Ų | 92 | 83.1 Ų | 83.1 | 49% | 0.492 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -73.6 | 5.5 | 172 | -60.1 | -31.9 | 0 | 0 | 0 | 114 | G83 T87 R88 R97 | G83-D85 PolarHBondContact O-N 2.85Å; D85-T87 PolarHBondContact O-N 3.04Å; D85-R88 PolarHBondContact O-N 3.05Å; D85-R97 IonicContact OD2-CZ 3.04Å; D85-R97 IonicContact OD2-NH1 3.93Å; D85-R97 IonicContact OD2-NH2 3.78Å; D85-R97 PolarHBondContact OD2-NH2 3.21Å; D85-R97 VanDerWaalsContact OD2-NH2 3.1Å |
| 86 | S | 67.9 | Low | 84.9 | Confident | 60 Ų | 60 | 84.4 Ų | 84.4 | 42% | 0.42 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -58.3 | -13.6 | -176.1 | -171.4 | 0 | 0 | 0 | 0 | 114.6 | G83 P84 H89 | G83-S86 PolarHBondContact O-N 3.12Å; P84-S86 PolarHBondContact O-N 2.95Å; S86-H89 PolarHBondContact O-CD2 2.94Å; S86-H89 VanDerWaalsContact O-CD2 3.27Å; S86-H89 PolarHBondContact O-CE1 3.1Å; S86-H89 PolarHBondContact O-NE2 3.09Å |
| 87 | T | 67.6 | Low | 84.9 | Confident | 130 Ų | 130 | 87.2 Ų | 87.2 | 80% | 0.798 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -90.4 | -18.1 | 178.3 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | D85 | D85-T87 PolarHBondContact O-N 3.04Š|
| 88 | R | 76.8 | Confident | 85.1 | Confident | 228 Ų | 228 | 84.3 Ų | 84.3 | 86% | 0.86 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -124.5 | 24.1 | -174.7 | -71.3 | -174.2 | -177.1 | -113.3 | 2.3 | 114.6 | D85 | D85-R88 PolarHBondContact O-N 3.05Š|
| 89 | H | 86.8 | Confident | 85.3 | Confident | 42 Ų | 42 | 83.6 Ų | 83.6 | 19% | 0.194 | 45% | 0.449 | C | S | . | . | trans | -76.2 | 134.2 | 175.1 | 50.5 | 33.1 | 0 | 0 | 0 | 112.5 | K77 S86 | K77-H89 WeakPolarHBondContact CD-NE2 3.32Å; K77-H89 WeakPolarHBondContact CE-CE1 3.48Å; K77-H89 WeakPolarHBondContact CE-NE2 3.45Å; K77-H89 PolarHBondContact NZ-CE1 2.83Å; S86-H89 PolarHBondContact O-CD2 2.94Å; S86-H89 VanDerWaalsContact O-CD2 3.27Å; S86-H89 PolarHBondContact O-CE1 3.1Å; S86-H89 PolarHBondContact O-NE2 3.09Å | ||
| 90 | T | 92.8 | Very high | 85.5 | Confident | 87 Ų | 87 | 82 Ų | 82 | 53% | 0.534 | 45% | 0.445 | S | S | . | . | trans | -89.2 | 158.8 | 167.4 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | L92 S93 L94 | T90-L92 PolarHBondContact O-N 3.28Å; T90-S93 PolarHBondContact N-OG 3.47Å; T90-S93 PolarHBondContact O-N 3.21Å; T90-S93 VanDerWaalsContact O-N 3.13Å; T90-S93 PolarHBondContact O-OG 3.41Å; T90-S93 WeakPolarHBondContact OG1-CB 3.43Å; T90-S93 PolarHBondContact OG1-N 3Å; T90-S93 PolarHBondContact OG1-OG 3.01Å; T90-L94 PolarHBondContact O-N 3.14Å | ||
| 91 | T | 93.2 | Very high | 85.6 | Confident | 76 Ų | 76 | 83.5 Ų | 83.5 | 47% | 0.466 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -54 | -41.6 | 176.3 | -52 | 0 | 0 | 0 | 0 | 112.2 | L73 L94 L95 | L73-T91 HydrophobicContact CD1-CG2 3.79Å; L73-T91 HydrophobicContact CD2-CG2 3.85Å; T91-L94 PolarHBondContact O-N 2.94Å; T91-L95 HydrophobicContact CG2-CD1 4.14Å; T91-L95 VanDerWaalsContact O-CG 3.28Å; T91-L95 WeakPolarHBondContact O-CG 3.46Å; T91-L95 PolarHBondContact O-N 3.13Å; T91-L95 VanDerWaalsContact O-N 3.1Å |
| 92 | L | 93.8 | Very high | 86.1 | Confident | 109 Ų | 109 | 83.8 Ų | 83.8 | 57% | 0.571 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 179 | -179.2 | 61.9 | 0 | 0 | 0 | 112 | T90 L94 L95 K96 | T90-L92 PolarHBondContact O-N 3.28Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 2.92Å; L92-L95 PolarHBondContact O-N 3.37Å; L92-K96 HydrophobicContact CD1-CG 4.44Å; L92-K96 HydrophobicContact CG-CD 4.38Å; L92-K96 WeakPolarHBondContact O-CG 3.47Å; L92-K96 PolarHBondContact O-N 3.33Å |
| 93 | S | 92.1 | Very high | 87 | Confident | 34 Ų | 34 | 89.5 Ų | 89.5 | 24% | 0.238 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 179.2 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | T90 K96 R97 | T90-S93 PolarHBondContact N-OG 3.47Å; T90-S93 PolarHBondContact O-N 3.21Å; T90-S93 VanDerWaalsContact O-N 3.13Å; T90-S93 PolarHBondContact O-OG 3.41Å; T90-S93 WeakPolarHBondContact OG1-CB 3.43Å; T90-S93 PolarHBondContact OG1-N 3Å; T90-S93 PolarHBondContact OG1-OG 3.01Å; S93-K96 PolarHBondContact O-N 3.29Å; S93-R97 WeakPolarHBondContact O-CB 3.44Å; S93-R97 WeakPolarHBondContact O-CG 3.37Å; S93-R97 PolarHBondContact O-N 3.47Å |
| 94 | L | 93.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 93.1 Ų | 93.1 | 1% | 0.01 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.6 | -50 | 175.6 | 176.1 | 62 | 0 | 0 | 0 | 111.1 | L73 L76 K77 V80 L82 T90 T91 L92 K96 R97 A98 | L73-L94 HydrophobicContact CB-CD2 4.42Å; L73-L94 HydrophobicContact CD2-CD2 4.09Å; L76-L94 HydrophobicContact CB-CD2 4.35Å; L76-L94 HydrophobicContact CD2-CD1 4.38Å; L76-L94 HydrophobicContact CD2-CD2 3.97Å; L76-L94 HydrophobicContact CD2-CG 3.83Å; L76-L94 HydrophobicContact CG-CD1 4.13Å; L76-L94 HydrophobicContact CG-CD2 4.21Å; L76-L94 HydrophobicContact CG-CG 4.1Å; K77-L94 HydrophobicContact CG-CD1 3.92Å; K77-L94 HydrophobicContact CG-CD2 3.72Å; K77-L94 HydrophobicContact CG-CG 4.47Å; V80-L94 HydrophobicContact CB-CD1 4.35Å; V80-L94 HydrophobicContact CG2-CD1 4.44Å; L82-L94 HydrophobicContact CD1-CD1 3.73Å; L82-L94 HydrophobicContact CD2-CD1 3.74Å; L82-L94 HydrophobicContact CG-CD1 4.25Å; T90-L94 PolarHBondContact O-N 3.14Å; T91-L94 PolarHBondContact O-N 2.94Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L94 PolarHBondContact O-N 2.92Å; L94-K96 PolarHBondContact O-N 2.96Å; L94-R97 PolarHBondContact O-N 3.44Å; L94-A98 VanDerWaalsContact O-CB 3.31Å; L94-A98 WeakPolarHBondContact O-CB 3.12Å; L94-A98 PolarHBondContact O-N 3.45Å |
| 95 | L | 95 | Very high | 89.6 | Confident | 88 Ų | 88 | 90.6 Ų | 90.6 | 46% | 0.461 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | -179.8 | -66.2 | 173.6 | 0 | 0 | 0 | 112.2 | L76 T91 L92 A98 K99 | L76-L95 HydrophobicContact CD2-CD2 3.93Å; T91-L95 HydrophobicContact CG2-CD1 4.14Å; T91-L95 VanDerWaalsContact O-CG 3.28Å; T91-L95 WeakPolarHBondContact O-CG 3.46Å; T91-L95 PolarHBondContact O-N 3.13Å; T91-L95 VanDerWaalsContact O-N 3.1Å; L92-L95 PolarHBondContact O-N 3.37Å; L95-A98 PolarHBondContact O-N 3.31Å; L95-K99 PolarHBondContact O-N 3.37Å |
| 96 | K | 93.8 | Very high | 91.3 | Very high | 133 Ų | 133 | 91.2 Ų | 91.2 | 58% | 0.578 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.1 | -48.2 | 174.9 | -75.6 | -177.8 | 177.4 | -175.5 | 0 | 111.5 | L92 S93 L94 K99 V100 | L92-K96 HydrophobicContact CD1-CG 4.44Å; L92-K96 HydrophobicContact CG-CD 4.38Å; L92-K96 WeakPolarHBondContact O-CG 3.47Å; L92-K96 PolarHBondContact O-N 3.33Å; S93-K96 PolarHBondContact O-N 3.29Å; L94-K96 PolarHBondContact O-N 2.96Å; K96-K99 PolarHBondContact O-N 3.36Å; K96-V100 WeakPolarHBondContact O-CG2 3.35Å; K96-V100 PolarHBondContact O-N 3.44Å; K96-V100 VanDerWaalsContact O-N 3.17Å |
| 97 | R | 92.7 | Very high | 92.8 | Very high | 105 Ų | 105 | 91.6 Ų | 91.6 | 40% | 0.396 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 178.4 | -72.3 | -176.4 | -179.8 | -158.7 | 8.3 | 111.7 | V80 L82 D85 S93 L94 K99 V100 H101 | V80-R97 HydrophobicContact CG1-CB 4.07Å; L82-R97 PolarHBondContact O-NH1 2.81Å; D85-R97 IonicContact OD2-CZ 3.04Å; D85-R97 IonicContact OD2-NH1 3.93Å; D85-R97 IonicContact OD2-NH2 3.78Å; D85-R97 PolarHBondContact OD2-NH2 3.21Å; D85-R97 VanDerWaalsContact OD2-NH2 3.1Å; S93-R97 WeakPolarHBondContact O-CB 3.44Å; S93-R97 WeakPolarHBondContact O-CG 3.37Å; S93-R97 PolarHBondContact O-N 3.47Å; L94-R97 PolarHBondContact O-N 3.44Å; R97-K99 PolarHBondContact O-N 3.03Å; R97-V100 PolarHBondContact O-N 2.82Å; R97-H101 WeakPolarHBondContact O-CB 3.41Å; R97-H101 PolarHBondContact O-N 3.49Å |
| 98 | A | 95.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 89.8 Ų | 89.8 | 8% | 0.083 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L76 V80 L94 L95 V100 H101 I102 | L76-A98 HydrophobicContact CD1-CB 4.03Å; L76-A98 HydrophobicContact CD2-CB 4.28Å; L76-A98 HydrophobicContact CG-CB 4.48Å; V80-A98 HydrophobicContact CG2-CB 3.7Å; L94-A98 VanDerWaalsContact O-CB 3.31Å; L94-A98 WeakPolarHBondContact O-CB 3.12Å; L94-A98 PolarHBondContact O-N 3.45Å; L95-A98 PolarHBondContact O-N 3.31Å; A98-V100 VanDerWaalsContact C-N 3.3Å; A98-V100 PolarHBondContact O-N 2.96Å; A98-H101 PolarHBondContact O-N 3.17Å; A98-H101 VanDerWaalsContact O-N 3.13Å; A98-I102 WeakPolarHBondContact O-CG1 3.43Å; A98-I102 PolarHBondContact O-N 3.06Å |
| 99 | K | 95.9 | Very high | 95.2 | Very high | 142 Ų | 142 | 84 Ų | 84 | 62% | 0.617 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.7 | -41.4 | 177.1 | -176.1 | 175.4 | -178.1 | 175 | 0 | 112.1 | L95 K96 R97 K103 | L95-K99 PolarHBondContact O-N 3.37Å; K96-K99 PolarHBondContact O-N 3.36Å; R97-K99 PolarHBondContact O-N 3.03Å; K99-K103 PolarHBondContact O-N 3.17Å |
| 100 | V | 96.1 | Very high | 95.8 | Very high | 98 Ų | 98 | 89.8 Ų | 89.8 | 59% | 0.594 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67.5 | -40.2 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | K96 R97 A98 K103 K104 | K96-V100 WeakPolarHBondContact O-CG2 3.35Å; K96-V100 PolarHBondContact O-N 3.44Å; K96-V100 VanDerWaalsContact O-N 3.17Å; R97-V100 PolarHBondContact O-N 2.82Å; A98-V100 VanDerWaalsContact C-N 3.3Å; A98-V100 PolarHBondContact O-N 2.96Å; V100-K103 PolarHBondContact O-N 3.38Å; V100-K104 PolarHBondContact O-N 3.17Å |
| 101 | H | 96.4 | Very high | 96 | Very high | 41 Ų | 41 | 92.8 Ų | 92.8 | 19% | 0.19 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.7 | -43.1 | -179.8 | -174.4 | 42.9 | 0 | 0 | 0 | 112.3 | P81 R97 A98 K103 K104 L105 | P81-H101 VanDerWaalsContact CD-CD2 3.43Å; P81-H101 WeakPolarHBondContact CD-CD2 3.4Å; P81-H101 WeakPolarHBondContact CD-NE2 3.4Å; R97-H101 WeakPolarHBondContact O-CB 3.41Å; R97-H101 PolarHBondContact O-N 3.49Å; A98-H101 PolarHBondContact O-N 3.17Å; A98-H101 VanDerWaalsContact O-N 3.13Å; H101-K103 VanDerWaalsContact C-N 3.34Å; H101-K103 PolarHBondContact O-N 2.99Å; H101-K104 WeakPolarHBondContact O-CB 3.43Å; H101-K104 PolarHBondContact O-N 3.45Å; H101-K104 VanDerWaalsContact O-N 3.12Å; H101-L105 WeakPolarHBondContact O-CG 3.28Å; H101-L105 PolarHBondContact O-N 3.19Å |
| 102 | I | 97.2 | Very high | 96.2 | Very high | 94 Ų | 94 | 91.8 Ų | 91.8 | 48% | 0.482 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -56.4 | -49.9 | 174 | -66.8 | 165.1 | 0 | 0 | 0 | 110.2 | A98 K104 L105 E106 | A98-I102 WeakPolarHBondContact O-CG1 3.43Å; A98-I102 PolarHBondContact O-N 3.06Å; I102-K104 VanDerWaalsContact C-N 3.26Å; I102-K104 PolarHBondContact O-N 2.94Å; I102-L105 PolarHBondContact O-N 3.06Å; I102-L105 VanDerWaalsContact O-N 3.13Å; I102-E106 HydrophobicContact CG2-CG 4.4Å; I102-E106 WeakPolarHBondContact O-CG 3.38Å; I102-E106 PolarHBondContact O-N 3.42Å |
| 103 | K | 98.1 | Very high | 96.5 | Very high | 130 Ų | 130 | 92.1 Ų | 92.1 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.1 | -37.4 | 177.1 | -71.4 | -173.7 | 172.3 | -162.5 | 0 | 113 | K99 V100 H101 E107 | K99-K103 PolarHBondContact O-N 3.17Å; V100-K103 PolarHBondContact O-N 3.38Å; H101-K103 VanDerWaalsContact C-N 3.34Å; H101-K103 PolarHBondContact O-N 2.99Å; K103-E107 WeakPolarHBondContact O-CB 3.36Å; K103-E107 PolarHBondContact O-N 2.93Å; K103-E107 VanDerWaalsContact O-N 3.09Å |
| 104 | K | 97.4 | Very high | 96.7 | Very high | 125 Ų | 125 | 93.2 Ų | 93.2 | 54% | 0.543 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 177.1 | -175.8 | -178.8 | 176.4 | -178.5 | 0 | 111 | V100 H101 I102 E107 Q108 | V100-K104 PolarHBondContact O-N 3.17Å; H101-K104 WeakPolarHBondContact O-CB 3.43Å; H101-K104 PolarHBondContact O-N 3.45Å; H101-K104 VanDerWaalsContact O-N 3.12Å; I102-K104 VanDerWaalsContact C-N 3.26Å; I102-K104 PolarHBondContact O-N 2.94Å; K104-E107 PolarHBondContact O-N 3.4Å; K104-Q108 VanDerWaalsContact O-CG 3.3Å; K104-Q108 WeakPolarHBondContact O-CG 3.39Å; K104-Q108 PolarHBondContact O-N 3.37Å |
| 105 | L | 97.9 | Very high | 97 | Very high | 76 Ų | 76 | 97.5 Ų | 97.5 | 40% | 0.398 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 177.3 | -69 | 173.7 | 0 | 0 | 0 | 111.2 | H101 I102 E107 Q108 D109 | H101-L105 WeakPolarHBondContact O-CG 3.28Å; H101-L105 PolarHBondContact O-N 3.19Å; I102-L105 PolarHBondContact O-N 3.06Å; I102-L105 VanDerWaalsContact O-N 3.13Å; L105-E107 VanDerWaalsContact C-N 3.26Å; L105-E107 PolarHBondContact O-N 3.41Å; L105-Q108 PolarHBondContact O-N 3.41Å; L105-Q108 VanDerWaalsContact O-N 3.11Å; L105-D109 PolarHBondContact O-N 2.99Å |
| 106 | E | 97.9 | Very high | 97.1 | Very high | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.1 | -40.2 | 176.6 | -70.6 | 171.4 | 168.2 | 0 | 0 | 112.3 | I102 R110 | I102-E106 HydrophobicContact CG2-CG 4.4Å; I102-E106 WeakPolarHBondContact O-CG 3.38Å; I102-E106 PolarHBondContact O-N 3.42Å; E106-R110 WeakPolarHBondContact O-CB 3.31Å; E106-R110 PolarHBondContact O-N 2.74Å |
| 107 | E | 98.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 97.9 Ų | 97.9 | 32% | 0.318 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.8 | -38 | 177.2 | 179.3 | 57.8 | -165.1 | 0 | 0 | 112.4 | K103 K104 L105 R110 R111 | K103-E107 WeakPolarHBondContact O-CB 3.36Å; K103-E107 PolarHBondContact O-N 2.93Å; K103-E107 VanDerWaalsContact O-N 3.09Å; K104-E107 PolarHBondContact O-N 3.4Å; L105-E107 VanDerWaalsContact C-N 3.26Å; L105-E107 PolarHBondContact O-N 3.41Å; E107-R110 PolarHBondContact O-N 3.43Å; E107-R110 IonicContact OE2-NE 3.33Å; E107-R110 PolarHBondContact OE2-NE 3.26Å; E107-R111 VanDerWaalsContact O-CG 3.32Å; E107-R111 WeakPolarHBondContact O-CG 3.41Å; E107-R111 PolarHBondContact O-N 2.94Å; E107-R111 IonicContact OE1-CZ 3.35Å; E107-R111 IonicContact OE1-NE 2.79Å; E107-R111 PolarHBondContact OE1-NE 3.36Å; E107-R111 IonicContact OE1-NH2 2.68Å; E107-R111 PolarHBondContact OE1-NH2 2.99Å |
| 108 | Q | 97.9 | Very high | 97.6 | Very high | 93 Ų | 93 | 97.9 Ų | 97.9 | 44% | 0.435 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 173.9 | -75.3 | 178.5 | -57.2 | 0 | 0 | 111.4 | K104 L105 R111 A112 | K104-Q108 VanDerWaalsContact O-CG 3.3Å; K104-Q108 WeakPolarHBondContact O-CG 3.39Å; K104-Q108 PolarHBondContact O-N 3.37Å; L105-Q108 PolarHBondContact O-N 3.41Å; L105-Q108 VanDerWaalsContact O-N 3.11Å; Q108-R111 PolarHBondContact O-N 3.1Å; Q108-A112 WeakPolarHBondContact O-CB 3.48Å; Q108-A112 PolarHBondContact O-N 3.48Å |
| 109 | D | 98.1 | Very high | 97.7 | Very high | 105 Ų | 105 | 102.1 Ų | 102.1 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 176.2 | -73.1 | -14.7 | 0 | 0 | 0 | 111.1 | L105 R111 A112 L113 | L105-D109 PolarHBondContact O-N 2.99Å; D109-R111 VanDerWaalsContact C-N 3.34Å; D109-R111 PolarHBondContact O-N 3.24Å; D109-A112 PolarHBondContact O-N 3.31Å; D109-L113 WeakPolarHBondContact O-CG 3.32Å; D109-L113 PolarHBondContact O-N 3.13Å |
| 110 | R | 98.4 | Very high | 97.8 | Very high | 164 Ų | 164 | 100.2 Ų | 100.2 | 62% | 0.619 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.8 | -45.2 | 175.7 | -166.6 | -165.8 | -50.4 | -95.2 | -9.4 | 111.9 | E106 E107 L113 S114 | E106-R110 WeakPolarHBondContact O-CB 3.31Å; E106-R110 PolarHBondContact O-N 2.74Å; E107-R110 PolarHBondContact O-N 3.43Å; E107-R110 IonicContact OE2-NE 3.33Å; E107-R110 PolarHBondContact OE2-NE 3.26Å; R110-L113 PolarHBondContact O-N 2.87Å; R110-S114 PolarHBondContact O-N 2.88Å; R110-S114 VanDerWaalsContact O-N 3.13Å |
| 111 | R | 97.9 | Very high | 97.9 | Very high | 150 Ų | 150 | 100.3 Ų | 100.3 | 57% | 0.566 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 177.7 | -71.4 | 175.5 | -167.6 | -174.2 | 2.3 | 112.1 | E107 Q108 D109 L113 S114 I115 | E107-R111 VanDerWaalsContact O-CG 3.32Å; E107-R111 WeakPolarHBondContact O-CG 3.41Å; E107-R111 PolarHBondContact O-N 2.94Å; E107-R111 IonicContact OE1-CZ 3.35Å; E107-R111 IonicContact OE1-NE 2.79Å; E107-R111 PolarHBondContact OE1-NE 3.36Å; E107-R111 IonicContact OE1-NH2 2.68Å; E107-R111 PolarHBondContact OE1-NH2 2.99Å; Q108-R111 PolarHBondContact O-N 3.1Å; D109-R111 VanDerWaalsContact C-N 3.34Å; D109-R111 PolarHBondContact O-N 3.24Å; R111-L113 VanDerWaalsContact C-N 3.28Å; R111-L113 PolarHBondContact O-N 3.39Å; R111-S114 WeakPolarHBondContact O-CB 3.47Å; R111-S114 PolarHBondContact O-N 2.9Å; R111-S114 VanDerWaalsContact O-N 3.16Å; R111-I115 WeakPolarHBondContact O-CG1 3.45Å; R111-I115 PolarHBondContact O-N 3.43Å |
| 112 | A | 97.8 | Very high | 97.9 | Very high | 56 Ų | 56 | 103.6 Ų | 103.6 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q108 D109 K116 | Q108-A112 WeakPolarHBondContact O-CB 3.48Å; Q108-A112 PolarHBondContact O-N 3.48Å; D109-A112 PolarHBondContact O-N 3.31Å; A112-K116 VanDerWaalsContact O-CB 3.29Å; A112-K116 WeakPolarHBondContact O-CB 3.47Å; A112-K116 PolarHBondContact O-N 3.02Å |
| 113 | L | 98.2 | Very high | 97.9 | Very high | 115 Ų | 115 | 105.3 Ų | 105.3 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 173.8 | -70.2 | 175.7 | 0 | 0 | 0 | 112.3 | D109 R110 R111 K116 E117 | D109-L113 WeakPolarHBondContact O-CG 3.32Å; D109-L113 PolarHBondContact O-N 3.13Å; R110-L113 PolarHBondContact O-N 2.87Å; R111-L113 VanDerWaalsContact C-N 3.28Å; R111-L113 PolarHBondContact O-N 3.39Å; L113-K116 PolarHBondContact O-N 3.32Å; L113-E117 PolarHBondContact O-N 3.4Å |
| 114 | S | 98.1 | Very high | 97.9 | Very high | 58 Ų | 58 | 105.3 Ų | 105.3 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | R110 R111 K116 E117 Q118 | R110-S114 PolarHBondContact O-N 2.88Å; R110-S114 VanDerWaalsContact O-N 3.13Å; R111-S114 WeakPolarHBondContact O-CB 3.47Å; R111-S114 PolarHBondContact O-N 2.9Å; R111-S114 VanDerWaalsContact O-N 3.16Å; S114-K116 VanDerWaalsContact C-N 3.32Å; S114-K116 PolarHBondContact O-N 3.15Å; S114-E117 WeakPolarHBondContact O-CB 3.41Å; S114-E117 PolarHBondContact O-N 2.93Å; S114-E117 VanDerWaalsContact O-N 3.15Å; S114-Q118 WeakPolarHBondContact O-CG 3.42Å; S114-Q118 PolarHBondContact O-N 3.02Å |
| 115 | I | 98.1 | Very high | 97.9 | Very high | 92 Ų | 92 | 105.7 Ų | 105.7 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 177.8 | -67.2 | 164.9 | 0 | 0 | 0 | 110.5 | R111 E117 Q118 L119 | R111-I115 WeakPolarHBondContact O-CG1 3.45Å; R111-I115 PolarHBondContact O-N 3.43Å; I115-E117 VanDerWaalsContact C-N 3.29Å; I115-E117 PolarHBondContact O-N 3.37Å; I115-Q118 PolarHBondContact O-N 3.28Å; I115-L119 HydrophobicContact CG2-CD1 3.91Å; I115-L119 HydrophobicContact CG2-CG 4.31Å; I115-L119 WeakPolarHBondContact O-CB 3.39Å; I115-L119 WeakPolarHBondContact O-CG 3.27Å; I115-L119 PolarHBondContact O-N 2.85Å |
| 116 | K | 98.2 | Very high | 97.8 | Very high | 119 Ų | 119 | 107.1 Ų | 107.1 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 176 | -179.5 | -177.7 | 176.5 | -178.1 | 0 | 111.3 | A112 L113 S114 Q120 | A112-K116 VanDerWaalsContact O-CB 3.29Å; A112-K116 WeakPolarHBondContact O-CB 3.47Å; A112-K116 PolarHBondContact O-N 3.02Å; L113-K116 PolarHBondContact O-N 3.32Å; S114-K116 VanDerWaalsContact C-N 3.32Å; S114-K116 PolarHBondContact O-N 3.15Å; K116-Q120 WeakPolarHBondContact O-CB 3.41Å; K116-Q120 WeakPolarHBondContact O-CG 3.38Å; K116-Q120 PolarHBondContact O-N 3.47Å |
| 117 | E | 97.9 | Very high | 97.7 | Very high | 109 Ų | 109 | 107.9 Ų | 107.9 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 178.2 | -171.9 | 176.1 | -173 | 0 | 0 | 111.9 | L113 S114 I115 Q120 Q121 | L113-E117 PolarHBondContact O-N 3.4Å; S114-E117 WeakPolarHBondContact O-CB 3.41Å; S114-E117 PolarHBondContact O-N 2.93Å; S114-E117 VanDerWaalsContact O-N 3.15Å; I115-E117 VanDerWaalsContact C-N 3.29Å; I115-E117 PolarHBondContact O-N 3.37Å; E117-Q120 WeakPolarHBondContact O-CB 3.31Å; E117-Q120 PolarHBondContact O-N 2.75Å; E117-Q121 WeakPolarHBondContact O-CG 3.32Å; E117-Q121 PolarHBondContact O-N 2.79Å |
| 118 | Q | 98.1 | Very high | 97.6 | Very high | 106 Ų | 106 | 111.7 Ų | 111.7 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.7 | -51.7 | 174.9 | -72.1 | 176.9 | -29.1 | 0 | 0 | 111.3 | S114 I115 Q120 Q121 E122 | S114-Q118 WeakPolarHBondContact O-CG 3.42Å; S114-Q118 PolarHBondContact O-N 3.02Å; I115-Q118 PolarHBondContact O-N 3.28Å; Q118-Q120 VanDerWaalsContact C-N 3.26Å; Q118-Q120 PolarHBondContact O-N 2.75Å; Q118-Q121 WeakPolarHBondContact O-CA 3.27Å; Q118-Q121 WeakPolarHBondContact O-CB 3.28Å; Q118-Q121 PolarHBondContact O-N 2.97Å; Q118-E122 PolarHBondContact O-N 3.43Å |
| 119 | L | 98.2 | Very high | 97.4 | Very high | 99 Ų | 99 | 113.3 Ų | 113.3 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.6 | -35.7 | 177.3 | -69.4 | 174.1 | 0 | 0 | 0 | 112.3 | I115 E122 H123 | I115-L119 HydrophobicContact CG2-CD1 3.91Å; I115-L119 HydrophobicContact CG2-CG 4.31Å; I115-L119 WeakPolarHBondContact O-CB 3.39Å; I115-L119 WeakPolarHBondContact O-CG 3.27Å; I115-L119 PolarHBondContact O-N 2.85Å; L119-E122 PolarHBondContact O-N 3.4Å; L119-H123 WeakPolarHBondContact O-CB 3.29Å; L119-H123 PolarHBondContact O-N 3.1Å |
| 120 | Q | 97.8 | Very high | 97.2 | Very high | 101 Ų | 101 | 114 Ų | 114 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68 | -33.7 | 174.6 | -77.8 | 179.1 | -15.5 | 0 | 0 | 112.8 | K116 E117 Q118 R124 | K116-Q120 WeakPolarHBondContact O-CB 3.41Å; K116-Q120 WeakPolarHBondContact O-CG 3.38Å; K116-Q120 PolarHBondContact O-N 3.47Å; E117-Q120 WeakPolarHBondContact O-CB 3.31Å; E117-Q120 PolarHBondContact O-N 2.75Å; Q118-Q120 VanDerWaalsContact C-N 3.26Å; Q118-Q120 PolarHBondContact O-N 2.75Å; Q120-R124 WeakPolarHBondContact O-CB 3.5Å; Q120-R124 VanDerWaalsContact O-CG 3.29Å; Q120-R124 WeakPolarHBondContact O-CG 3.38Å; Q120-R124 PolarHBondContact O-N 3.37Å; Q120-R124 VanDerWaalsContact O-N 3.17Å; Q120-R124 PolarHBondContact O-NE 3.38Å |
| 121 | Q | 97.8 | Very high | 96.9 | Very high | 100 Ų | 100 | 110.6 Ų | 110.6 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.2 | -46.3 | 173.3 | -69.2 | 177.2 | 16.4 | 0 | 0 | 110.9 | E117 Q118 R124 F125 | E117-Q121 WeakPolarHBondContact O-CG 3.32Å; E117-Q121 PolarHBondContact O-N 2.79Å; Q118-Q121 WeakPolarHBondContact O-CA 3.27Å; Q118-Q121 WeakPolarHBondContact O-CB 3.28Å; Q118-Q121 PolarHBondContact O-N 2.97Å; Q121-R124 PolarHBondContact O-N 3.12Å; Q121-F125 PolarHBondContact O-N 3.03Å |
| 122 | E | 96.9 | Very high | 96.6 | Very high | 111 Ų | 111 | 108.9 Ų | 108.9 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 176.1 | -70.9 | -178.2 | 179 | 0 | 0 | 112 | Q118 L119 R124 F125 L126 | Q118-E122 PolarHBondContact O-N 3.43Å; L119-E122 PolarHBondContact O-N 3.4Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 3.35Å; E122-F125 WeakPolarHBondContact O-CB 3.44Å; E122-F125 PolarHBondContact O-N 2.81Å; E122-F125 VanDerWaalsContact O-N 3.08Å; E122-L126 WeakPolarHBondContact O-CB 3.32Å; E122-L126 WeakPolarHBondContact O-CG 3.17Å; E122-L126 PolarHBondContact O-N 3.38Å |
| 123 | H | 97 | Very high | 96.3 | Very high | 129 Ų | 129 | 110.2 Ų | 110.2 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.7 | -42 | 176.1 | 179.7 | -90.1 | 0 | 0 | 0 | 111.5 | L119 K127 | L119-H123 WeakPolarHBondContact O-CB 3.29Å; L119-H123 PolarHBondContact O-N 3.1Å; H123-K127 VanDerWaalsContact O-CB 3.24Å; H123-K127 WeakPolarHBondContact O-CB 3.49Å; H123-K127 PolarHBondContact O-N 3.36Å |
| 124 | R | 97.4 | Very high | 95.7 | Very high | 130 Ų | 130 | 107.1 Ų | 107.1 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 175 | -77 | -174.8 | -67.2 | 177.8 | -0.9 | 112.2 | Q120 Q121 E122 R128 | Q120-R124 WeakPolarHBondContact O-CB 3.5Å; Q120-R124 VanDerWaalsContact O-CG 3.29Å; Q120-R124 WeakPolarHBondContact O-CG 3.38Å; Q120-R124 PolarHBondContact O-N 3.37Å; Q120-R124 VanDerWaalsContact O-N 3.17Å; Q120-R124 PolarHBondContact O-NE 3.38Å; Q121-R124 PolarHBondContact O-N 3.12Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 3.35Å; R124-R128 WeakPolarHBondContact O-CG 3.23Å; R124-R128 PolarHBondContact O-N 3.09Å |
| 125 | F | 97.2 | Very high | 94.7 | Very high | 133 Ų | 133 | 108.2 Ų | 108.2 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.4 | -52.1 | 177.6 | 173.2 | -97.8 | 0 | 0 | 0 | 111.6 | Q121 E122 K127 R128 R129 | Q121-F125 PolarHBondContact O-N 3.03Å; E122-F125 WeakPolarHBondContact O-CB 3.44Å; E122-F125 PolarHBondContact O-N 2.81Å; E122-F125 VanDerWaalsContact O-N 3.08Å; F125-K127 VanDerWaalsContact C-N 3.3Å; F125-K127 PolarHBondContact O-N 3.48Å; F125-R128 PolarHBondContact O-N 2.99Å; F125-R129 PolarHBondContact O-N 2.73Å |
| 126 | L | 97.1 | Very high | 93.7 | Very high | 107 Ų | 107 | 109 Ų | 109 | 56% | 0.56 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.6 | -40.9 | 178.9 | -70.9 | 170.4 | 0 | 0 | 0 | 111.5 | E122 R128 R129 L130 | E122-L126 WeakPolarHBondContact O-CB 3.32Å; E122-L126 WeakPolarHBondContact O-CG 3.17Å; E122-L126 PolarHBondContact O-N 3.38Å; L126-R128 PolarHBondContact O-N 3.19Å; L126-R129 PolarHBondContact O-N 3.19Å; L126-L130 WeakPolarHBondContact O-CB 3.3Å; L126-L130 PolarHBondContact O-N 3.44Å |
| 127 | K | 96.1 | Very high | 92.2 | Very high | 120 Ų | 120 | 105.6 Ų | 105.6 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175.4 | -175 | 176.3 | 178.7 | -179.4 | 0 | 112.3 | H123 F125 R129 L130 E131 | H123-K127 VanDerWaalsContact O-CB 3.24Å; H123-K127 WeakPolarHBondContact O-CB 3.49Å; H123-K127 PolarHBondContact O-N 3.36Å; F125-K127 VanDerWaalsContact C-N 3.3Å; F125-K127 PolarHBondContact O-N 3.48Å; K127-R129 VanDerWaalsContact C-N 3.32Å; K127-R129 PolarHBondContact O-N 3.24Å; K127-L130 PolarHBondContact O-N 3.08Å; K127-E131 VanDerWaalsContact CE-OE1 3.27Å; K127-E131 WeakPolarHBondContact CE-OE1 3.27Å; K127-E131 WeakPolarHBondContact O-CG 3.36Å; K127-E131 PolarHBondContact O-N 3.44Å |
| 128 | R | 95.7 | Very high | 90.5 | Very high | 149 Ų | 149 | 104.1 Ų | 104.1 | 56% | 0.562 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -38.3 | 176.1 | -67.8 | 177.6 | -160.1 | 150.7 | 1.8 | 112 | R124 F125 L126 L130 E131 Q132 | R124-R128 WeakPolarHBondContact O-CG 3.23Å; R124-R128 PolarHBondContact O-N 3.09Å; F125-R128 PolarHBondContact O-N 2.99Å; L126-R128 PolarHBondContact O-N 3.19Å; R128-L130 VanDerWaalsContact C-N 3.34Å; R128-E131 PolarHBondContact O-N 3.24Å; R128-Q132 WeakPolarHBondContact O-CG 3.37Å; R128-Q132 PolarHBondContact O-N 2.87Å |
| 129 | R | 94 | Very high | 88.7 | Confident | 126 Ų | 126 | 105.4 Ų | 105.4 | 48% | 0.475 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 178 | -175.2 | 57.6 | 173.6 | 176.1 | 0 | 111.4 | F125 L126 K127 Q132 L133 | F125-R129 PolarHBondContact O-N 2.73Å; L126-R129 PolarHBondContact O-N 3.19Å; K127-R129 VanDerWaalsContact C-N 3.32Å; K127-R129 PolarHBondContact O-N 3.24Å; R129-Q132 PolarHBondContact O-N 3.26Å; R129-L133 HydrophobicContact CG-CD1 4.38Å; R129-L133 WeakPolarHBondContact O-CG 3.47Å; R129-L133 PolarHBondContact O-N 2.92Å |
| 130 | L | 94.1 | Very high | 86.8 | Confident | 121 Ų | 121 | 108.4 Ų | 108.4 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 175.2 | -169.6 | 145.9 | 0 | 0 | 0 | 111.2 | L126 K127 R128 Q132 L133 S134 | L126-L130 WeakPolarHBondContact O-CB 3.3Å; L126-L130 PolarHBondContact O-N 3.44Å; K127-L130 PolarHBondContact O-N 3.08Å; R128-L130 VanDerWaalsContact C-N 3.34Å; L130-Q132 PolarHBondContact O-N 3Å; L130-L133 PolarHBondContact O-N 3.29Å; L130-S134 WeakPolarHBondContact O-CB 3.44Å; L130-S134 PolarHBondContact O-N 2.82Å; L130-S134 PolarHBondContact O-OG 3.44Å |
| 131 | E | 92.3 | Very high | 84.9 | Confident | 92 Ų | 92 | 109.4 Ų | 109.4 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 173.4 | -73.6 | 167.5 | -170.2 | 0 | 0 | 111.4 | K127 R128 L133 S134 V135 | K127-E131 VanDerWaalsContact CE-OE1 3.27Å; K127-E131 WeakPolarHBondContact CE-OE1 3.27Å; K127-E131 WeakPolarHBondContact O-CG 3.36Å; K127-E131 PolarHBondContact O-N 3.44Å; R128-E131 PolarHBondContact O-N 3.24Å; E131-L133 PolarHBondContact O-N 2.89Å; E131-S134 WeakPolarHBondContact CA-OG 3.41Å; E131-S134 PolarHBondContact O-N 3.49Å; E131-S134 PolarHBondContact O-OG 3.03Å; E131-V135 WeakPolarHBondContact O-CG2 3.43Å; E131-V135 PolarHBondContact O-N 3.46Å |
| 132 | Q | 91.3 | Very high | 83.1 | Confident | 113 Ų | 113 | 114.4 Ų | 114.4 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 176.3 | -73 | 172.5 | -1.5 | 0 | 0 | 113 | R128 R129 L130 S134 V135 Q136 | R128-Q132 WeakPolarHBondContact O-CG 3.37Å; R128-Q132 PolarHBondContact O-N 2.87Å; R129-Q132 PolarHBondContact O-N 3.26Å; L130-Q132 PolarHBondContact O-N 3Å; Q132-S134 VanDerWaalsContact C-N 3.31Å; Q132-S134 PolarHBondContact O-N 3.29Å; Q132-V135 PolarHBondContact O-N 2.9Å; Q132-Q136 WeakPolarHBondContact O-CB 3.4Å; Q132-Q136 PolarHBondContact O-N 2.82Å |
| 133 | L | 90.9 | Very high | 81.3 | Confident | 84 Ų | 84 | 114.5 Ų | 114.5 | 44% | 0.44 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 178.7 | -68.8 | 173.8 | 0 | 0 | 0 | 111.4 | R129 L130 E131 S137 | R129-L133 HydrophobicContact CG-CD1 4.38Å; R129-L133 WeakPolarHBondContact O-CG 3.47Å; R129-L133 PolarHBondContact O-N 2.92Å; L130-L133 PolarHBondContact O-N 3.29Å; E131-L133 PolarHBondContact O-N 2.89Å; L133-S137 WeakPolarHBondContact O-CB 3.48Å; L133-S137 PolarHBondContact O-N 3.25Å; L133-S137 PolarHBondContact O-OG 3.44Å |
| 134 | S | 84.9 | Confident | 79.6 | Confident | 50 Ų | 50 | 114.1 Ų | 114.1 | 35% | 0.35 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 175.5 | 77.9 | 0 | 0 | 0 | 0 | 111.5 | L130 E131 Q132 Q136 S137 V138 | L130-S134 WeakPolarHBondContact O-CB 3.44Å; L130-S134 PolarHBondContact O-N 2.82Å; L130-S134 PolarHBondContact O-OG 3.44Å; E131-S134 WeakPolarHBondContact CA-OG 3.41Å; E131-S134 PolarHBondContact O-N 3.49Å; E131-S134 PolarHBondContact O-OG 3.03Å; Q132-S134 VanDerWaalsContact C-N 3.31Å; Q132-S134 PolarHBondContact O-N 3.29Å; S134-Q136 PolarHBondContact O-N 2.88Å; S134-S137 WeakPolarHBondContact CA-OG 3.42Å; S134-S137 PolarHBondContact O-N 3.43Å; S134-S137 PolarHBondContact O-OG 2.94Å; S134-V138 VanDerWaalsContact O-CG2 3.28Å; S134-V138 WeakPolarHBondContact O-CG2 3.45Å; S134-V138 PolarHBondContact O-N 3.28Å |
| 135 | V | 77.2 | Confident | 77.5 | Confident | 81 Ų | 81 | 113.4 Ų | 113.4 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.5 | -46.3 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | E131 Q132 S137 V138 E139 | E131-V135 WeakPolarHBondContact O-CG2 3.43Å; E131-V135 PolarHBondContact O-N 3.46Å; Q132-V135 PolarHBondContact O-N 2.9Å; V135-S137 VanDerWaalsContact C-N 3.28Å; V135-S137 PolarHBondContact O-N 3.21Å; V135-V138 PolarHBondContact O-N 3.04Å; V135-V138 VanDerWaalsContact O-N 3.17Å; V135-E139 PolarHBondContact O-N 2.93Å |
| 136 | Q | 77.1 | Confident | 75.8 | Confident | 108 Ų | 108 | 114.3 Ų | 114.3 | 51% | 0.505 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.6 | -32.3 | 177.1 | -168 | 178.9 | 32.3 | 0 | 0 | 112.7 | Q132 S134 R140 | Q132-Q136 WeakPolarHBondContact O-CB 3.4Å; Q132-Q136 PolarHBondContact O-N 2.82Å; S134-Q136 PolarHBondContact O-N 2.88Å; Q136-R140 WeakPolarHBondContact O-CG 3.38Å; Q136-R140 PolarHBondContact O-N 3.34Å; Q136-R140 PolarHBondContact O-NE 2.68Å |
| 137 | S | 67.2 | Low | 74.3 | Confident | 49 Ų | 49 | 112.3 Ų | 112.3 | 34% | 0.343 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.6 | -40.7 | 173.7 | 74.4 | 0 | 0 | 0 | 0 | 112 | L133 S134 V135 R140 V141 | L133-S137 WeakPolarHBondContact O-CB 3.48Å; L133-S137 PolarHBondContact O-N 3.25Å; L133-S137 PolarHBondContact O-OG 3.44Å; S134-S137 WeakPolarHBondContact CA-OG 3.42Å; S134-S137 PolarHBondContact O-N 3.43Å; S134-S137 PolarHBondContact O-OG 2.94Å; V135-S137 VanDerWaalsContact C-N 3.28Å; V135-S137 PolarHBondContact O-N 3.21Å; S137-R140 PolarHBondContact O-N 3.45Å; S137-V141 WeakPolarHBondContact O-CG2 3.31Å; S137-V141 PolarHBondContact O-N 2.82Å; S137-V141 VanDerWaalsContact O-N 3.1Å |
| 138 | V | 62.9 | Low | 72.1 | Confident | 78 Ų | 78 | 112.8 Ų | 112.8 | 47% | 0.473 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.1 | -35.1 | 179 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | S134 V135 | S134-V138 VanDerWaalsContact O-CG2 3.28Å; S134-V138 WeakPolarHBondContact O-CG2 3.45Å; S134-V138 PolarHBondContact O-N 3.28Å; V135-V138 PolarHBondContact O-N 3.04Å; V135-V138 VanDerWaalsContact O-N 3.17Å |
| 139 | E | 58.5 | Low | 70.3 | Confident | 132 Ų | 132 | 109.5 Ų | 109.5 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.9 | -39.5 | 175.1 | -76.6 | -179.3 | 160.7 | 0 | 0 | 112.4 | V135 R142 | V135-E139 PolarHBondContact O-N 2.93Å; E139-R142 PolarHBondContact O-N 2.97Å |
| 140 | R | 59.4 | Low | 68.1 | Low | 162 Ų | 162 | 110.1 Ų | 110.1 | 61% | 0.611 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.6 | -26.7 | 176.5 | -72.7 | -172.6 | -65.7 | 118.3 | -4.8 | 113.9 | Q136 S137 R142 | Q136-R140 WeakPolarHBondContact O-CG 3.38Å; Q136-R140 PolarHBondContact O-N 3.34Å; Q136-R140 PolarHBondContact O-NE 2.68Å; S137-R140 PolarHBondContact O-N 3.45Å; R140-R142 PolarHBondContact O-N 3.2Å; R140-R142 VanDerWaalsContact O-N 3.17Å |
| 141 | V | 58.6 | Low | 65.8 | Low | 123 Ų | 123 | 109.5 Ų | 109.5 | 75% | 0.745 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -12.1 | 177.9 | 168.4 | 0 | 0 | 0 | 0 | 112.5 | S137 | S137-V141 WeakPolarHBondContact O-CG2 3.31Å; S137-V141 PolarHBondContact O-N 2.82Å; S137-V141 VanDerWaalsContact O-N 3.1Å |
| 142 | R | 60 | Low | 64.2 | Low | 205 Ų | 205 | 111.3 Ų | 111.3 | 77% | 0.774 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -7 | -176 | -75.6 | -167.5 | 156.2 | 98 | 0.3 | 116.6 | E139 R140 | E139-R142 PolarHBondContact O-N 2.97Å; R140-R142 PolarHBondContact O-N 3.2Å; R140-R142 VanDerWaalsContact O-N 3.17Å |
| 143 | T | 57.3 | Low | 62.3 | Low | 112 Ų | 112 | 112.5 Ų | 112.5 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -11.8 | -171.5 | 53.2 | 0 | 0 | 0 | 0 | 116.9 | ||
| 144 | D | 63.3 | Low | 60.8 | Low | 122 Ų | 122 | 114 Ų | 114 | 65% | 0.652 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -167 | 107.1 | 174.6 | 56.3 | -36.3 | 0 | 0 | 0 | 112 | ||
| 145 | S | 51.8 | Low | 59.4 | Low | 115 Ų | 115 | 115.8 Ų | 115.8 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | trans | 177.5 | 81.7 | 137.2 | -85.3 | 0 | 0 | 0 | 0 | 110.5 | G147 | S145-G147 PolarHBondContact O-N 2.73Š| ||
| 146 | T | 61.8 | Low | 58.2 | Low | 151 Ų | 151 | 119.2 Ų | 119.2 | 93% | 0.926 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -72.5 | 104 | 138.8 | 43.8 | 0 | 0 | 0 | 0 | 107.8 | ||
| 147 | G | 66.1 | Low | 57.2 | Low | 66 Ų | 66 | 122.1 Ų | 122.1 | 68% | 0.68 | 70% | 0.702 | S | S | * | * | trans | 99.2 | 104.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | S145 | S145-G147 PolarHBondContact O-N 2.73Š| ||
| 148 | S | 49.3 | Very low | 56.4 | Low | 130 Ų | 130 | 128.5 Ų | 128.5 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | -161.6 | 131.8 | 116.9 | -138.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 149 | A | 58.5 | Low | 56.3 | Low | 79 Ų | 79 | 130.5 Ų | 130.5 | 65% | 0.653 | 74% | 0.739 | S | S | * | * | trans | -93.3 | 158.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 150 | V | 48.3 | Very low | 56.3 | Low | 139 Ų | 139 | 131 Ų | 131 | 84% | 0.842 | 75% | 0.746 | S | S | * | * | trans | 72.4 | 133.1 | 171.5 | -21.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 151 | S | 44.6 | Very low | 56 | Low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | -159.7 | 155.2 | 52.2 | 48.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 152 | T | 59.7 | Low | 55.9 | Low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -45 | 137.6 | 161.2 | -41.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 153 | D | 50.1 | Low | 55.8 | Low | 138 Ų | 138 | 126.8 Ų | 126.8 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | -155.1 | 125 | 128 | -167.2 | 51.7 | 0 | 0 | 0 | 110 | S155 | D153-S155 PolarHBondContact OD2-OG 2.96Š| |||
| 154 | D | 60.4 | Low | 55.7 | Low | 114 Ų | 114 | 128.5 Ų | 128.5 | 61% | 0.61 | 76% | 0.758 | S | S | * | * | trans | -84.3 | 111.8 | 176.8 | 176.4 | 58.6 | 0 | 0 | 0 | 106.6 | ||||
| 155 | S | 54.4 | Low | 55.2 | Low | 89 Ų | 89 | 131.4 Ų | 131.4 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | trans | -127.6 | 80.4 | 173.1 | -80.8 | 0 | 0 | 0 | 0 | 107.7 | D153 Q157 | D153-S155 PolarHBondContact OD2-OG 2.96Å; S155-Q157 VanDerWaalsContact C-N 3.26Å; S155-Q157 PolarHBondContact O-N 3.49Å | ||
| 156 | E | 52.1 | Low | 54.9 | Low | 152 Ų | 152 | 134.2 Ų | 134.2 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | trans | -58.6 | 85.9 | 160.2 | 41.1 | -170.8 | 156.7 | 0 | 0 | 109.8 | E158 | E156-E158 PolarHBondContact O-N 3Š| ||
| 157 | Q | 56.1 | Low | 54 | Low | 170 Ų | 170 | 129.6 Ų | 129.6 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | -90.5 | 92.7 | 162.3 | -85.5 | 176.7 | -0 | 0 | 0 | 108.4 | S155 V159 | S155-Q157 VanDerWaalsContact C-N 3.26Å; S155-Q157 PolarHBondContact O-N 3.49Å; Q157-V159 PolarHBondContact O-N 3.17Å; Q157-V159 VanDerWaalsContact O-N 3.08Å | ||
| 158 | E | 52.2 | Low | 53.3 | Low | 183 Ų | 183 | 133.2 Ų | 133.2 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -60.8 | 105 | 160.6 | -60.9 | -164.6 | 153.6 | 0 | 0 | 108.1 | E156 D160 | E156-E158 PolarHBondContact O-N 3Å; E158-D160 PolarHBondContact O-N 3.38Å | ||
| 159 | V | 60.6 | Low | 53.1 | Low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -83.4 | 103.5 | 166.5 | -78.4 | 0 | 0 | 0 | 0 | 107.7 | Q157 I161 | Q157-V159 PolarHBondContact O-N 3.17Å; Q157-V159 VanDerWaalsContact O-N 3.08Å; V159-I161 PolarHBondContact O-N 3.43Å; V159-I161 VanDerWaalsContact O-N 3.16Å | ||
| 160 | D | 57.1 | Low | 53 | Low | 142 Ų | 142 | 135.5 Ų | 135.5 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -64.9 | 108.9 | 173 | -150.3 | 1.6 | 0 | 0 | 0 | 108.6 | E158 E162 | E158-D160 PolarHBondContact O-N 3.38Å; D160-E162 VanDerWaalsContact C-N 3.3Å; D160-E162 PolarHBondContact O-N 3.5Å | ||
| 161 | I | 54.5 | Low | 53.5 | Low | 159 Ų | 159 | 136.3 Ų | 136.3 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | -91.5 | 73.5 | 173.5 | -57.2 | 174.9 | 0 | 0 | 0 | 106.7 | V159 | V159-I161 PolarHBondContact O-N 3.43Å; V159-I161 VanDerWaalsContact O-N 3.16Å | ||
| 162 | E | 57 | Low | 53.6 | Low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | trans | -82.5 | 121.7 | 163.9 | -91.8 | -164.6 | 154.3 | 0 | 0 | 110.2 | D160 | D160-E162 VanDerWaalsContact C-N 3.3Å; D160-E162 PolarHBondContact O-N 3.5Å | ||
| 163 | G | 57.3 | Low | 53.7 | Low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | 70.4 | 82 | 138.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 164 | M | 55.1 | Low | 54 | Low | 149 Ų | 149 | 136.5 Ų | 136.5 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -109 | 70.8 | 147.1 | -156.7 | 73.4 | 165.3 | 0 | 0 | 109.3 | F166 | M164-F166 HydrophobicContact CB-CE2 4.31Å; M164-F166 HydrophobicContact CE-CE1 3.75Å; M164-F166 HydrophobicContact CE-CE2 3.88Å; M164-F166 HydrophobicContact CE-CZ 3.3Å; M164-F166 HydrophobicContact CG-CD2 3.68Å; M164-F166 HydrophobicContact CG-CE2 3.2Å; M164-F166 HydrophobicContact CG-CZ 3.74Å; M164-F166 PolarHBondContact O-N 3.36Å; M164-F166 HydrophobicContact SD-CE2 4.36Å; M164-F166 HydrophobicContact SD-CZ 4.34Å | ||
| 165 | E | 51.6 | Low | 53.2 | Low | 183 Ų | 183 | 134.9 Ų | 134.9 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -72.7 | 97.5 | 165 | -178 | 178.8 | -178.9 | 0 | 0 | 108.1 | G167 | E165-G167 VanDerWaalsContact C-N 3.33Å; E165-G167 PolarHBondContact O-N 3.44Å | ||
| 166 | F | 45.4 | Very low | 53.2 | Low | 173 Ų | 173 | 136.4 Ų | 136.4 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -76.7 | 87.1 | 169.1 | -77.7 | -83.7 | 0 | 0 | 0 | 109.7 | M164 | M164-F166 HydrophobicContact CB-CE2 4.31Å; M164-F166 HydrophobicContact CE-CE1 3.75Å; M164-F166 HydrophobicContact CE-CE2 3.88Å; M164-F166 HydrophobicContact CE-CZ 3.3Å; M164-F166 HydrophobicContact CG-CD2 3.68Å; M164-F166 HydrophobicContact CG-CE2 3.2Å; M164-F166 HydrophobicContact CG-CZ 3.74Å; M164-F166 PolarHBondContact O-N 3.36Å; M164-F166 HydrophobicContact SD-CE2 4.36Å; M164-F166 HydrophobicContact SD-CZ 4.34Å | ||
| 167 | G | 42.9 | Very low | 53.2 | Low | 55 Ų | 55 | 135 Ų | 135 | 57% | 0.567 | 79% | 0.787 | S | S | * | * | trans | -72.7 | 139.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E165 G169 | E165-G167 VanDerWaalsContact C-N 3.33Å; E165-G167 PolarHBondContact O-N 3.44Å; G167-G169 PolarHBondContact O-N 3.39Å | ||
| 168 | P | 52.2 | Low | 53 | Low | 142 Ų | 142 | 132.1 Ų | 132.1 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | trans | -81.4 | 102 | 178.6 | 32.1 | -29.2 | 0 | 0 | 0 | 109.5 | ||||
| 169 | G | 44.4 | Very low | 53.2 | Low | 61 Ų | 61 | 131.4 Ų | 131.4 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | -116.4 | 117.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G167 | G167-G169 PolarHBondContact O-N 3.39Š| ||
| 170 | E | 57 | Low | 52.8 | Low | 195 Ų | 195 | 129.2 Ų | 129.2 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -56 | 124.4 | 174.1 | -66.5 | -168 | 106.8 | 0 | 0 | 113.2 | ||||
| 171 | L | 58.8 | Low | 52.8 | Low | 157 Ų | 157 | 130 Ų | 130 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -140.5 | 110 | 156.3 | -9.7 | 170.4 | 0 | 0 | 0 | 110.4 | S173 | L171-S173 PolarHBondContact O-N 3.12Š| ||
| 172 | D | 46.1 | Very low | 52.9 | Low | 144 Ų | 144 | 129.8 Ų | 129.8 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -57.7 | 123 | 165.8 | -175.7 | 15.8 | 0 | 0 | 0 | 110 | ||||
| 173 | S | 62.3 | Low | 53.4 | Low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -111.6 | 90.9 | 173.6 | -80.6 | 0 | 0 | 0 | 0 | 109 | L171 G175 | L171-S173 PolarHBondContact O-N 3.12Å; S173-G175 PolarHBondContact O-N 2.93Å | ||
| 174 | V | 56.6 | Low | 52.8 | Low | 123 Ų | 123 | 135.6 Ų | 135.6 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | trans | -66.3 | 122.9 | 169.5 | -73.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 175 | G | 44.1 | Very low | 52.7 | Low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -70.8 | 131.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S173 | S173-G175 PolarHBondContact O-N 2.93Š| ||
| 176 | S | 54.8 | Low | 52.7 | Low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -105.6 | 103.6 | 164.1 | -162.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 177 | S | 50.9 | Low | 52.4 | Low | 123 Ų | 123 | 133.2 Ų | 133.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -126.9 | 101.7 | 168.4 | 63.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 178 | S | 52.3 | Low | 52.5 | Low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -110.2 | 120.4 | 163.5 | 49.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 179 | D | 55.7 | Low | 52 | Low | 168 Ų | 168 | 133.4 Ų | 133.4 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -160.5 | 150.8 | 134.5 | -148.6 | -2.1 | 0 | 0 | 0 | 111.1 | ||||
| 180 | A | 53.4 | Low | 52 | Low | 74 Ų | 74 | 136.9 Ų | 136.9 | 61% | 0.612 | 82% | 0.815 | S | S | * | * | trans | -77.5 | 161.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 181 | D | 55.8 | Low | 51.1 | Low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | -174.2 | 132.3 | 123.5 | -93.7 | -40.4 | 0 | 0 | 0 | 111.4 | |||||
| 182 | D | 56.2 | Low | 50.1 | Low | 154 Ų | 154 | 127.6 Ų | 127.6 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -80.6 | 134.6 | 175.2 | -82.3 | -56.8 | 0 | 0 | 0 | 111.5 | ||||
| 183 | H | 68.4 | Low | 50 | Low | 169 Ų | 169 | 128 Ų | 128 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | trans | -142 | 149.4 | 155.1 | -78.7 | -75.2 | 0 | 0 | 0 | 112 | ||||
| 184 | Y | 45.1 | Very low | 49.2 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | -96.5 | 163.5 | -150.9 | 54.8 | -86.6 | 0 | 0 | 0 | 115.1 | ||||
| 185 | S | 51.9 | Low | 48.5 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 66% | 0.664 | 81% | 0.814 | S | S | * | * | trans | 90.3 | 110.5 | 150.1 | -72.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 186 | L | 51.8 | Low | 48.8 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | 24.7 | 120.3 | 119 | -53.1 | 176.1 | 0 | 0 | 0 | 118.5 | |||||
| 187 | Q | 39 | Very low | 48.2 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | -170.4 | 138.7 | 117.2 | -149.3 | 138.9 | 2.4 | 0 | 0 | 112.3 | |||||
| 188 | S | 45 | Very low | 48.4 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -64 | 154.8 | -179 | -46.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 189 | G | 42.6 | Very low | 48.1 | Very low | 80 Ų | 80 | 134 Ų | 134 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -162.7 | 106.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 190 | S | 44.7 | Very low | 47.6 | Very low | 133 Ų | 133 | 132 Ų | 132 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -64.1 | 154.5 | 176.3 | -59.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 191 | G | 36.5 | Very low | 47.3 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | trans | 157.2 | 111.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 192 | G | 38.2 | Very low | 46.7 | Very low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | 81 | 106.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 193 | D | 43.8 | Very low | 46.3 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 83% | 0.833 | S | S | * | * | 90.4 | 130.9 | 70.1 | -171.1 | 35.7 | 0 | 0 | 0 | 114.6 | |||||
| 194 | S | 45.8 | Very low | 45.1 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | trans | 78.1 | 128.6 | 159.8 | 78.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 195 | G | 43.2 | Very low | 45.6 | Very low | 78 Ų | 78 | 142.2 Ų | 142.2 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | 153.5 | 34.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 196 | F | 49.7 | Very low | 45.9 | Very low | 229 Ų | 229 | 143.7 Ų | 143.7 | 100% | 1.004 | 85% | 0.847 | S | S | * | * | trans | -79.2 | 119.4 | 164 | -91.9 | -88.3 | 0 | 0 | 0 | 110.2 | ||||
| 197 | G | 42 | Very low | 45.7 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 85% | 0.846 | S | S | * | * | trans | -146.3 | 127.3 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 198 | P | 55.6 | Low | 46.3 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 81% | 0.812 | 85% | 0.845 | S | S | * | * | trans | -83.7 | 149.6 | -166.9 | 32.1 | -33.5 | 0 | 0 | 0 | 113.6 | C200 | P198-C200 PolarHBondContact O-N 3.07Š| ||
| 199 | H | 46.7 | Very low | 46.8 | Very low | 186 Ų | 186 | 143 Ų | 143 | 86% | 0.861 | 87% | 0.869 | S | S | * | * | trans | -56.3 | 111.1 | 167.7 | -90.5 | -71.4 | 0 | 0 | 0 | 112 | R201 | H199-R201 PolarHBondContact O-N 3.2Š| ||
| 200 | C | 44.5 | Very low | 47 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 86% | 0.858 | 87% | 0.871 | S | S | * | * | trans | -72.2 | 104.3 | 161.3 | -67 | 0 | 0 | 0 | 0 | 109.7 | P198 R202 | P198-C200 PolarHBondContact O-N 3.07Å; C200-R202 PolarHBondContact O-N 3.33Å | ||
| 201 | R | 46.6 | Very low | 47.1 | Very low | 236 Ų | 236 | 146.8 Ų | 146.8 | 89% | 0.891 | 87% | 0.868 | S | S | * | * | trans | -70.5 | 114.1 | 162.6 | -68.7 | -172.9 | -179 | -138.8 | 1.2 | 108.6 | H199 L203 | H199-R201 PolarHBondContact O-N 3.2Å; R201-L203 PolarHBondContact O-N 3.14Å | ||
| 202 | R | 43.2 | Very low | 47.7 | Very low | 247 Ų | 247 | 150.6 Ų | 150.6 | 93% | 0.932 | 87% | 0.871 | S | S | * | * | trans | -75.2 | 112.7 | 169.5 | -177 | 178.9 | -80.9 | -136.7 | -1.7 | 108.4 | C200 | C200-R202 PolarHBondContact O-N 3.33Š| ||
| 203 | L | 47.8 | Very low | 48.3 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 86% | 0.859 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 128.4 | 170.3 | -72.7 | 164.8 | 0 | 0 | 0 | 109.8 | R201 | R201-L203 PolarHBondContact O-N 3.14Š|
| 204 | G | 44.2 | Very low | 48.6 | Very low | 73 Ų | 73 | 154.9 Ų | 154.9 | 75% | 0.753 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 135.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 205 | R | 55.1 | Low | 48.8 | Very low | 244 Ų | 244 | 157.8 Ų | 157.8 | 92% | 0.921 | 88% | 0.884 | S | S | * | * | P | Polyproline II helix | trans | -82 | 134.3 | 161.5 | -84.3 | 177.5 | 163.2 | -122.3 | 0.5 | 108.8 | ||
| 206 | P | 57.6 | Low | 49.2 | Very low | 127 Ų | 127 | 163.5 Ų | 163.5 | 83% | 0.825 | 89% | 0.89 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 166.8 | 153.7 | 30.1 | -18.1 | 0 | 0 | 0 | 111.4 | ||
| 207 | A | 48.4 | Very low | 49.1 | Very low | 99 Ų | 99 | 158.5 Ų | 158.5 | 82% | 0.818 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 164.2 | -154.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 208 | L | 52.3 | Low | 49.7 | Very low | 175 Ų | 175 | 166.3 Ų | 166.3 | 92% | 0.916 | 90% | 0.899 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 133.2 | 168.1 | -60 | 163.3 | 0 | 0 | 0 | 110.2 | ||
| 209 | S | 54.7 | Low | 49.2 | Very low | 192 Ų | 192 | 170 Ų | 170 | 100% | 1.343 | 91% | 0.907 | S | S | * | * | trans | -147.1 | 0 | 145.4 | -165.7 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 209 of 209 residues in 43.2 ms
(Link to these results)