| 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 | 54.5 | Low | 73.7 | Confident | 232 Ų | 232 | 129.5 Ų | 129.5 | 100% | 1.143 | 67% | 0.668 | S | S | * | * | 0 | 29 | 0 | -82.4 | -175.5 | -88.2 | 0 | 0 | 112.2 | |||||
| 2 | E | 60 | Low | 74.5 | Confident | 169 Ų | 169 | 122.3 Ų | 122.3 | 79% | 0.79 | 64% | 0.643 | S | S | * | * | trans | -108.6 | -20.7 | -175.8 | -63.8 | -166.3 | 161.7 | 0 | 0 | 114 | N4 S5 L6 | E2-N4 VanDerWaalsContact C-N 3.35Å; E2-N4 PolarHBondContact O-N 3.14Å; E2-S5 WeakPolarHBondContact O-CB 3.36Å; E2-S5 PolarHBondContact O-N 3.1Å; E2-L6 PolarHBondContact O-N 2.94Å; E2-L6 VanDerWaalsContact O-N 3.08Å | ||
| 3 | L | 59.1 | Low | 75.2 | Confident | 129 Ų | 129 | 117.2 Ų | 117.2 | 68% | 0.675 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.9 | -36.9 | 179.7 | -75.2 | 162.3 | 0 | 0 | 0 | 112.7 | S5 L6 L7 | L3-S5 VanDerWaalsContact C-N 3.33Å; L3-S5 PolarHBondContact O-N 3.06Å; L3-L6 PolarHBondContact O-N 3.28Å; L3-L7 WeakPolarHBondContact O-CD1 3.48Å; L3-L7 PolarHBondContact O-N 3.28Å |
| 4 | N | 68.1 | Low | 75.6 | Confident | 121 Ų | 121 | 115.8 Ų | 115.8 | 65% | 0.647 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.9 | -35.4 | 176.4 | -68.2 | -6.3 | 0 | 0 | 0 | 111.6 | E2 L6 I8 | E2-N4 VanDerWaalsContact C-N 3.35Å; E2-N4 PolarHBondContact O-N 3.14Å; N4-L6 VanDerWaalsContact C-N 3.34Å; N4-I8 WeakPolarHBondContact O-CB 3.37Å; N4-I8 VanDerWaalsContact O-CD1 3.31Å; N4-I8 WeakPolarHBondContact O-CD1 3.41Å; N4-I8 WeakPolarHBondContact O-CG1 3.36Å; N4-I8 PolarHBondContact O-N 3.13Å |
| 5 | S | 72.8 | Confident | 76 | Confident | 77 Ų | 77 | 118.5 Ų | 118.5 | 54% | 0.538 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.2 | -38.7 | 176.1 | -170.7 | 0 | 0 | 0 | 0 | 111.2 | E2 L3 L9 | E2-S5 WeakPolarHBondContact O-CB 3.36Å; E2-S5 PolarHBondContact O-N 3.1Å; L3-S5 VanDerWaalsContact C-N 3.33Å; L3-S5 PolarHBondContact O-N 3.06Å; S5-L9 VanDerWaalsContact O-CB 3.3Å; S5-L9 WeakPolarHBondContact O-CB 3.25Å; S5-L9 PolarHBondContact O-N 2.99Å |
| 6 | L | 76.8 | Confident | 76 | Confident | 98 Ų | 98 | 117.4 Ų | 117.4 | 51% | 0.513 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.3 | -43.5 | 177.5 | -174.1 | 68.3 | 0 | 0 | 0 | 111.7 | E2 L3 N4 L9 L10 | E2-L6 PolarHBondContact O-N 2.94Å; E2-L6 VanDerWaalsContact O-N 3.08Å; L3-L6 PolarHBondContact O-N 3.28Å; N4-L6 VanDerWaalsContact C-N 3.34Å; L6-L9 PolarHBondContact O-N 3.3Å; L6-L10 HydrophobicContact CD1-CD1 4.2Å; L6-L10 HydrophobicContact CG-CD1 3.94Å; L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 PolarHBondContact O-N 2.87Å |
| 7 | L | 82.4 | Confident | 75.7 | Confident | 113 Ų | 113 | 116.7 Ų | 116.7 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.5 | -45.1 | 174.9 | -99.4 | 89.2 | 0 | 0 | 0 | 111.7 | L3 L9 L10 E11 | L3-L7 WeakPolarHBondContact O-CD1 3.48Å; L3-L7 PolarHBondContact O-N 3.28Å; L7-L9 VanDerWaalsContact C-N 3.29Å; L7-L9 PolarHBondContact O-N 3.33Å; L7-L10 PolarHBondContact O-N 3.28Å; L7-E11 WeakPolarHBondContact O-CB 3.41Å; L7-E11 PolarHBondContact O-N 3.37Å |
| 8 | I | 82.6 | Confident | 75.4 | Confident | 114 Ų | 114 | 117.9 Ų | 117.9 | 59% | 0.585 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63 | -39.3 | 177.5 | -69.1 | 165 | 0 | 0 | 0 | 110.8 | N4 E11 A12 | N4-I8 WeakPolarHBondContact O-CB 3.37Å; N4-I8 VanDerWaalsContact O-CD1 3.31Å; N4-I8 WeakPolarHBondContact O-CD1 3.41Å; N4-I8 WeakPolarHBondContact O-CG1 3.36Å; N4-I8 PolarHBondContact O-N 3.13Å; I8-E11 PolarHBondContact O-N 3.3Å; I8-A12 WeakPolarHBondContact O-CB 3.31Å; I8-A12 PolarHBondContact O-N 3.36Å |
| 9 | L | 86.3 | Confident | 74.9 | Confident | 118 Ų | 118 | 118.6 Ų | 118.6 | 62% | 0.618 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.2 | -36.9 | 179.2 | -156.9 | 73.5 | 0 | 0 | 0 | 111.8 | S5 L6 L7 A13 | S5-L9 VanDerWaalsContact O-CB 3.3Å; S5-L9 WeakPolarHBondContact O-CB 3.25Å; S5-L9 PolarHBondContact O-N 2.99Å; L6-L9 PolarHBondContact O-N 3.3Å; L7-L9 VanDerWaalsContact C-N 3.29Å; L7-L9 PolarHBondContact O-N 3.33Å; L9-A13 VanDerWaalsContact O-CB 3.26Å; L9-A13 WeakPolarHBondContact O-CB 3.33Å; L9-A13 PolarHBondContact O-N 3.35Å |
| 10 | L | 83.9 | Confident | 74.1 | Confident | 114 Ų | 114 | 117.8 Ų | 117.8 | 60% | 0.597 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.9 | -45.1 | 172.7 | -104.1 | 127.1 | 0 | 0 | 0 | 111.7 | L6 L7 A13 E14 | L6-L10 HydrophobicContact CD1-CD1 4.2Å; L6-L10 HydrophobicContact CG-CD1 3.94Å; L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 PolarHBondContact O-N 2.87Å; L7-L10 PolarHBondContact O-N 3.28Å; L10-A13 PolarHBondContact O-N 3.5Å; L10-E14 WeakPolarHBondContact O-CB 3.38Å; L10-E14 PolarHBondContact O-N 3.23Å |
| 11 | E | 84.7 | Confident | 73.7 | Confident | 139 Ų | 139 | 118.8 Ų | 118.8 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.3 | -39.1 | 177.3 | -174.7 | 166.8 | -173.8 | 0 | 0 | 111.6 | L7 I8 E14 Y15 | L7-E11 WeakPolarHBondContact O-CB 3.41Å; L7-E11 PolarHBondContact O-N 3.37Å; I8-E11 PolarHBondContact O-N 3.3Å; E11-E14 PolarHBondContact O-N 3.07Å; E11-Y15 WeakPolarHBondContact O-CB 3.25Å; E11-Y15 PolarHBondContact O-N 2.71Å |
| 12 | A | 83.2 | Confident | 73.8 | Confident | 44 Ų | 44 | 113.6 Ų | 113.6 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.9 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I8 Y15 L16 | I8-A12 WeakPolarHBondContact O-CB 3.31Å; I8-A12 PolarHBondContact O-N 3.36Å; A12-Y15 PolarHBondContact O-N 3.44Å; A12-L16 WeakPolarHBondContact O-CG 3.32Å; A12-L16 PolarHBondContact O-N 3.01Å |
| 13 | A | 83.5 | Confident | 73.7 | Confident | 55 Ų | 55 | 108.8 Ų | 108.8 | 46% | 0.455 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L9 L10 Y15 L16 E17 | L9-A13 VanDerWaalsContact O-CB 3.26Å; L9-A13 WeakPolarHBondContact O-CB 3.33Å; L9-A13 PolarHBondContact O-N 3.35Å; L10-A13 PolarHBondContact O-N 3.5Å; A13-Y15 VanDerWaalsContact C-N 3.33Å; A13-Y15 PolarHBondContact O-N 2.94Å; A13-L16 PolarHBondContact O-N 3.38Å; A13-E17 WeakPolarHBondContact O-CB 3.45Å; A13-E17 PolarHBondContact O-N 3.02Å |
| 14 | E | 81.1 | Confident | 73.4 | Confident | 98 Ų | 98 | 110.3 Ų | 110.3 | 46% | 0.458 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.2 | -37.5 | 175.3 | -162.6 | -174.3 | 165.9 | 0 | 0 | 111.5 | L10 E11 E17 R18 | L10-E14 WeakPolarHBondContact O-CB 3.38Å; L10-E14 PolarHBondContact O-N 3.23Å; E11-E14 PolarHBondContact O-N 3.07Å; E14-E17 PolarHBondContact O-N 3.02Å; E14-R18 WeakPolarHBondContact O-CB 3.36Å; E14-R18 WeakPolarHBondContact O-CG 3.43Å; E14-R18 PolarHBondContact O-N 2.9Å; E14-R18 IonicContact OE1-CZ 3.49Å; E14-R18 IonicContact OE1-NE 3.51Å; E14-R18 IonicContact OE1-NH2 2.69Å; E14-R18 PolarHBondContact OE1-NH2 3.32Å |
| 15 | Y | 81.2 | Confident | 72.7 | Confident | 156 Ų | 156 | 110.6 Ų | 110.6 | 61% | 0.612 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65 | -42.2 | 174.3 | -175.5 | -95.2 | 0 | 0 | 0 | 112.4 | E11 A12 A13 R19 | E11-Y15 WeakPolarHBondContact O-CB 3.25Å; E11-Y15 PolarHBondContact O-N 2.71Å; A12-Y15 PolarHBondContact O-N 3.44Å; A13-Y15 VanDerWaalsContact C-N 3.33Å; A13-Y15 PolarHBondContact O-N 2.94Å; Y15-R19 HydrophobicContact CD1-CG 4.27Å; Y15-R19 HydrophobicContact CE1-CG 3.84Å; Y15-R19 VanDerWaalsContact O-CB 3.28Å; Y15-R19 WeakPolarHBondContact O-CB 3.36Å; Y15-R19 PolarHBondContact O-N 2.94Å |
| 16 | L | 75.4 | Confident | 72 | Confident | 101 Ų | 101 | 109.7 Ų | 109.7 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.3 | -41.3 | 173.8 | -74.5 | 172.3 | 0 | 0 | 0 | 111.4 | A12 A13 R18 R19 D20 | A12-L16 WeakPolarHBondContact O-CG 3.32Å; A12-L16 PolarHBondContact O-N 3.01Å; A13-L16 PolarHBondContact O-N 3.38Å; L16-R18 PolarHBondContact O-N 2.86Å; L16-R19 CarbonylContact O-C 3.59Å; L16-R19 PolarHBondContact O-N 3.42Å; L16-D20 WeakPolarHBondContact O-CB 3.46Å; L16-D20 VanDerWaalsContact O-CG 3.31Å; L16-D20 PolarHBondContact O-N 3.19Å |
| 17 | E | 71.1 | Confident | 70.8 | Confident | 106 Ų | 106 | 116.2 Ų | 116.2 | 50% | 0.495 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.3 | -36.4 | 178.3 | -157.5 | -168.9 | 153.6 | 0 | 0 | 112.3 | A13 E14 R21 | A13-E17 WeakPolarHBondContact O-CB 3.45Å; A13-E17 PolarHBondContact O-N 3.02Å; E14-E17 PolarHBondContact O-N 3.02Å; E17-R21 WeakPolarHBondContact O-CB 3.48Å; E17-R21 PolarHBondContact O-N 2.86Å; E17-R21 IonicContact OE1-CZ 3.51Å; E17-R21 IonicContact OE1-NH1 3.35Å; E17-R21 PolarHBondContact OE1-NH1 3.46Å; E17-R21 IonicContact OE1-NH2 2.76Å; E17-R21 PolarHBondContact OE1-NH2 2.86Å |
| 18 | R | 71.4 | Confident | 69.1 | Low | 138 Ų | 138 | 115 Ų | 115 | 52% | 0.521 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.1 | -45.3 | 169.4 | -73.3 | -178.8 | -165 | -172.5 | 6.5 | 111.2 | E14 L16 D20 R21 E22 | E14-R18 WeakPolarHBondContact O-CB 3.36Å; E14-R18 WeakPolarHBondContact O-CG 3.43Å; E14-R18 PolarHBondContact O-N 2.9Å; E14-R18 IonicContact OE1-CZ 3.49Å; E14-R18 IonicContact OE1-NE 3.51Å; E14-R18 IonicContact OE1-NH2 2.69Å; E14-R18 PolarHBondContact OE1-NH2 3.32Å; L16-R18 PolarHBondContact O-N 2.86Å; R18-D20 PolarHBondContact O-N 3.48Å; R18-R21 PolarHBondContact O-N 2.87Å; R18-E22 VanDerWaalsContact O-CB 3.28Å; R18-E22 WeakPolarHBondContact O-CB 3.41Å; R18-E22 VanDerWaalsContact O-CG 3.22Å; R18-E22 WeakPolarHBondContact O-CG 3.5Å; R18-E22 PolarHBondContact O-N 3.16Å |
| 19 | R | 65.2 | Low | 67.9 | Low | 132 Ų | 132 | 114.5 Ų | 114.5 | 50% | 0.498 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.3 | -39.1 | 177.9 | -94.3 | -116.7 | 60 | 163.7 | 1.1 | 113.3 | Y15 L16 A23 | Y15-R19 HydrophobicContact CD1-CG 4.27Å; Y15-R19 HydrophobicContact CE1-CG 3.84Å; Y15-R19 VanDerWaalsContact O-CB 3.28Å; Y15-R19 WeakPolarHBondContact O-CB 3.36Å; Y15-R19 PolarHBondContact O-N 2.94Å; L16-R19 CarbonylContact O-C 3.59Å; L16-R19 PolarHBondContact O-N 3.42Å; R19-A23 WeakPolarHBondContact O-CB 3.49Å; R19-A23 PolarHBondContact O-N 2.86Å |
| 20 | D | 59.5 | Low | 66.3 | Low | 101 Ų | 101 | 115.7 Ų | 115.7 | 54% | 0.54 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74.1 | -40.6 | 179.1 | -73.2 | -17.1 | 0 | 0 | 0 | 110.2 | L16 R18 E22 A23 E24 | L16-D20 WeakPolarHBondContact O-CB 3.46Å; L16-D20 VanDerWaalsContact O-CG 3.31Å; L16-D20 PolarHBondContact O-N 3.19Å; R18-D20 PolarHBondContact O-N 3.48Å; D20-E22 PolarHBondContact O-N 3.36Å; D20-A23 PolarHBondContact O-N 3.03Å; D20-E24 PolarHBondContact O-N 3.03Å |
| 21 | R | 64.3 | Low | 64.8 | Low | 139 Ų | 139 | 117.4 Ų | 117.4 | 53% | 0.525 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.4 | -37.8 | 173.1 | -167.6 | 177.3 | -78.1 | 111.4 | -5.7 | 112.2 | E17 R18 H25 | E17-R21 WeakPolarHBondContact O-CB 3.48Å; E17-R21 PolarHBondContact O-N 2.86Å; E17-R21 IonicContact OE1-CZ 3.51Å; E17-R21 IonicContact OE1-NH1 3.35Å; E17-R21 PolarHBondContact OE1-NH1 3.46Å; E17-R21 IonicContact OE1-NH2 2.76Å; E17-R21 PolarHBondContact OE1-NH2 2.86Å; R18-R21 PolarHBondContact O-N 2.87Å; R21-H25 VanDerWaalsContact O-CB 3.31Å; R21-H25 WeakPolarHBondContact O-CB 3.28Å; R21-H25 PolarHBondContact O-N 3.41Å |
| 22 | E | 56.9 | Low | 63 | Low | 124 Ų | 124 | 116.1 Ų | 116.1 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.2 | -30.8 | 175.2 | -72.3 | 170.5 | -163.8 | 0 | 0 | 113.1 | R18 D20 E24 H25 G26 | R18-E22 VanDerWaalsContact O-CB 3.28Å; R18-E22 WeakPolarHBondContact O-CB 3.41Å; R18-E22 VanDerWaalsContact O-CG 3.22Å; R18-E22 WeakPolarHBondContact O-CG 3.5Å; R18-E22 PolarHBondContact O-N 3.16Å; D20-E22 PolarHBondContact O-N 3.36Å; E22-E24 VanDerWaalsContact C-N 3.3Å; E22-H25 CarbonylContact O-C 3.52Å; E22-G26 WeakPolarHBondContact O-CA 3.36Å; E22-G26 PolarHBondContact O-N 3.34Å |
| 23 | A | 58.8 | Low | 61 | Low | 67 Ų | 67 | 124.4 Ų | 124.4 | 55% | 0.554 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71 | -26.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | R19 D20 | R19-A23 WeakPolarHBondContact O-CB 3.49Å; R19-A23 PolarHBondContact O-N 2.86Å; D20-A23 PolarHBondContact O-N 3.03Å |
| 24 | E | 53 | Low | 58.9 | Low | 161 Ų | 161 | 127.1 Ų | 127.1 | 75% | 0.752 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -94.7 | -22.6 | 173.3 | -64 | -168.8 | 174.4 | 0 | 0 | 113.4 | D20 E22 | D20-E24 PolarHBondContact O-N 3.03Å; E22-E24 VanDerWaalsContact C-N 3.3Å |
| 25 | H | 53.7 | Low | 57.1 | Low | 128 Ų | 128 | 125.9 Ų | 125.9 | 59% | 0.593 | 65% | 0.651 | S | S | * | * | trans | -129.2 | 49.6 | -179 | -62.7 | -44.4 | 0 | 0 | 0 | 114.3 | R21 E22 Y27 A28 | R21-H25 VanDerWaalsContact O-CB 3.31Å; R21-H25 WeakPolarHBondContact O-CB 3.28Å; R21-H25 PolarHBondContact O-N 3.41Å; E22-H25 CarbonylContact O-C 3.52Å; H25-Y27 PolarHBondContact O-N 2.98Å; H25-A28 PolarHBondContact O-N 3.34Å | ||
| 26 | G | 56.8 | Low | 55.3 | Low | 57 Ų | 57 | 124.4 Ų | 124.4 | 59% | 0.588 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 22.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | E22 | E22-G26 WeakPolarHBondContact O-CA 3.36Å; E22-G26 PolarHBondContact O-N 3.34Å |
| 27 | Y | 52.1 | Low | 53.5 | Low | 236 Ų | 236 | 129.5 Ų | 129.5 | 93% | 0.925 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142 | 9.3 | 173.5 | -71.1 | -77.6 | 0 | 0 | 0 | 114.8 | H25 | H25-Y27 PolarHBondContact O-N 2.98Š|
| 28 | A | 47 | Very low | 52.2 | Low | 86 Ų | 86 | 129 Ų | 129 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | trans | -106 | 46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H25 | H25-A28 PolarHBondContact O-N 3.34Š| ||
| 29 | S | 57.8 | Low | 51.1 | Low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -85.6 | 132 | 156.2 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | L31 | S29-L31 PolarHBondContact O-N 3.16Š|
| 30 | V | 50.8 | Low | 50 | Low | 142 Ų | 142 | 135.1 Ų | 135.1 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | trans | -55.9 | 96.2 | -178.1 | -177 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 31 | L | 52.4 | Low | 49.9 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -91.6 | 136.7 | 164.8 | -74.1 | 177.9 | 0 | 0 | 0 | 109 | S29 Y33 | S29-L31 PolarHBondContact O-N 3.16Å; L31-Y33 PolarHBondContact O-N 3.44Å | ||
| 32 | P | 47.2 | Very low | 49.1 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -63.8 | 129.6 | 178.1 | 27.9 | -31.6 | 0 | 0 | 0 | 108.8 | S34 | P32-S34 PolarHBondContact O-N 2.96Š| ||
| 33 | Y | 42.1 | Very low | 48.8 | Very low | 217 Ų | 217 | 144.2 Ų | 144.2 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | -17.2 | 114 | 166.2 | -171.7 | -95.8 | 0 | 0 | 0 | 114.8 | L31 | L31-Y33 PolarHBondContact O-N 3.44Š| ||
| 34 | S | 39.5 | Very low | 48.5 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -137.3 | 117.7 | 155.9 | 61.2 | 0 | 0 | 0 | 0 | 108.5 | P32 | P32-S34 PolarHBondContact O-N 2.96Š| ||
| 35 | S | 42.9 | Very low | 48.6 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 50% | 0.497 | 77% | 0.766 | S | S | . | * | trans | -66.6 | 155.8 | 177.9 | 63.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 36 | D | 44 | Very low | 48.5 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | trans | 74.8 | 113.4 | 157.8 | -47.3 | -50.9 | 0 | 0 | 0 | 117.7 | ||||
| 37 | F | 37.5 | Very low | 48.6 | Very low | 209 Ų | 209 | 147 Ų | 147 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | 173.1 | 123.6 | 114.6 | -87.4 | -68 | 0 | 0 | 0 | 112.2 | |||||
| 38 | S | 43.3 | Very low | 48.9 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | 5.1 | 130.1 | 153.5 | -105.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 39 | R | 47.3 | Very low | 49.4 | Very low | 217 Ų | 217 | 146.5 Ų | 146.5 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | 73.2 | 106.3 | 124.5 | -151.7 | -175 | -65.5 | -150.5 | 0.2 | 117 | |||||
| 40 | K | 42.5 | Very low | 49.3 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | 169.3 | 119.1 | 118.1 | -88.7 | 165 | -167.3 | -174.2 | 0 | 111 | T42 | K40-T42 PolarHBondContact O-N 3.33Š| |||
| 41 | K | 57 | Low | 49.7 | Very low | 221 Ų | 221 | 145.6 Ų | 145.6 | 96% | 0.961 | 76% | 0.755 | S | S | * | * | trans | -61.7 | 102.2 | 161.6 | -79.4 | -174.1 | 175.1 | -179.1 | 0 | 108.5 | ||||
| 42 | T | 49.2 | Very low | 50.2 | Low | 131 Ų | 131 | 146.4 Ų | 146.4 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -90.6 | 127.1 | 166.9 | 45.5 | 0 | 0 | 0 | 0 | 109.6 | K40 | K40-T42 PolarHBondContact O-N 3.33Š| ||
| 43 | K | 50.6 | Low | 51.1 | Low | 204 Ų | 204 | 147.3 Ų | 147.3 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | trans | -56.4 | 150.8 | -171.9 | -67.6 | 168.1 | 173.4 | 177.9 | 0 | 112.8 | ||||
| 44 | A | 52.1 | Low | 52.9 | Low | 98 Ų | 98 | 142.1 Ų | 142.1 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -45.2 | 145.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 45 | T | 55 | Low | 55.3 | Low | 114 Ų | 114 | 145.8 Ų | 145.8 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | -48.4 | 142.6 | 173.4 | 49.9 | 0 | 0 | 0 | 0 | 114 | I47 | T45-I47 PolarHBondContact O-N 3.04Å; T45-I47 VanDerWaalsContact O-N 3.15Å | ||
| 46 | P | 50.8 | Low | 57.5 | Low | 112 Ų | 112 | 145.7 Ų | 145.7 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | -77.4 | 102.5 | 174.6 | 31.2 | -31 | 0 | 0 | 0 | 110.7 | S48 | P46-S48 PolarHBondContact O-N 2.81Š| ||
| 47 | I | 59.7 | Low | 59.8 | Low | 148 Ų | 148 | 142.8 Ų | 142.8 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | trans | -75.8 | 68.9 | 163.9 | -54.9 | 166.9 | 0 | 0 | 0 | 107.8 | T45 | T45-I47 PolarHBondContact O-N 3.04Å; T45-I47 VanDerWaalsContact O-N 3.15Å | ||
| 48 | S | 57.5 | Low | 62.6 | Low | 82 Ų | 82 | 138.5 Ų | 138.5 | 57% | 0.573 | 71% | 0.708 | S | S | * | * | trans | -111.7 | -11.5 | 175.7 | 73.3 | 0 | 0 | 0 | 0 | 113.8 | P46 | P46-S48 PolarHBondContact O-N 2.81Š| ||
| 49 | R | 57.4 | Low | 65.1 | Low | 229 Ų | 229 | 138.1 Ų | 138.1 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -82.3 | -12.6 | -177.3 | -68.6 | -170.3 | -108.9 | 163.8 | -4.5 | 115.2 | ||
| 50 | K | 56.5 | Low | 67.4 | Low | 159 Ų | 159 | 133 Ų | 133 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -82.9 | -23.6 | 177.2 | -83 | 178.4 | 175.5 | 176.7 | 0 | 114 | N54 | K50-N54 VanDerWaalsContact O-CG 3.22Å; K50-N54 PolarHBondContact O-ND2 3.14Å |
| 51 | A | 59.8 | Low | 70 | Confident | 69 Ų | 69 | 129.9 Ų | 129.9 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.6 | -33.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N54 R55 | A51-N54 PolarHBondContact O-N 3.43Å; A51-R55 PolarHBondContact O-N 3.31Å; A51-R55 VanDerWaalsContact O-N 3.13Å |
| 52 | Q | 62.9 | Low | 71.9 | Confident | 167 Ų | 167 | 121.4 Ų | 121.4 | 78% | 0.78 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.4 | -38.7 | -173.5 | -162.7 | 144 | -53.2 | 0 | 0 | 112.8 | S56 | Q52-S56 PolarHBondContact O-N 3.37Å |
| 53 | N | 65.8 | Low | 74.3 | Confident | 131 Ų | 131 | 121.5 Ų | 121.5 | 70% | 0.701 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70 | -35.5 | 175.5 | -130.5 | 33.4 | 0 | 0 | 0 | 111.9 | S56 S57 | N53-S56 PolarHBondContact O-N 3.19Å; N53-S57 WeakPolarHBondContact O-CB 3.4Å; N53-S57 PolarHBondContact O-N 2.95Å |
| 54 | N | 80 | Confident | 76.5 | Confident | 108 Ų | 108 | 116.8 Ų | 116.8 | 58% | 0.578 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67 | -36.1 | 177.8 | -70 | -18.3 | 0 | 0 | 0 | 112.5 | K50 A51 H58 | K50-N54 VanDerWaalsContact O-CG 3.22Å; K50-N54 PolarHBondContact O-ND2 3.14Å; A51-N54 PolarHBondContact O-N 3.43Å; N54-H58 VanDerWaalsContact O-CB 3.29Å; N54-H58 WeakPolarHBondContact O-CB 3.28Å; N54-H58 PolarHBondContact O-N 3.3Å |
| 55 | R | 88.9 | Confident | 78.7 | Confident | 190 Ų | 190 | 118.2 Ų | 118.2 | 72% | 0.717 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.1 | -40.2 | 177.5 | -169.2 | 175.6 | -179.1 | 178.1 | -0.3 | 112.5 | A51 N59 | A51-R55 PolarHBondContact O-N 3.31Å; A51-R55 VanDerWaalsContact O-N 3.13Å; R55-N59 VanDerWaalsContact O-CG 3.26Å; R55-N59 PolarHBondContact O-N 3.27Å; R55-N59 VanDerWaalsContact O-N 3.1Å; R55-N59 PolarHBondContact O-OD1 3.4Å |
| 56 | S | 88.9 | Confident | 80.7 | Confident | 69 Ų | 69 | 119.1 Ų | 119.1 | 48% | 0.483 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.1 | -45.4 | 176.6 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | Q52 N53 H58 N59 E60 | Q52-S56 PolarHBondContact O-N 3.37Å; N53-S56 PolarHBondContact O-N 3.19Å; S56-H58 VanDerWaalsContact C-N 3.35Å; S56-H58 PolarHBondContact O-N 3.08Å; S56-N59 PolarHBondContact O-N 2.95Å; S56-E60 PolarHBondContact O-N 2.9Å; S56-E60 VanDerWaalsContact O-N 3.1Å |
| 57 | S | 93.4 | Very high | 83 | Confident | 65 Ų | 65 | 116.2 Ų | 116.2 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57.6 | -46.1 | 174.6 | 178.8 | 0 | 0 | 0 | 0 | 112 | N53 N59 E60 L61 | N53-S57 WeakPolarHBondContact O-CB 3.4Å; N53-S57 PolarHBondContact O-N 2.95Å; S57-N59 VanDerWaalsContact C-N 3.35Å; S57-N59 PolarHBondContact O-N 3.21Å; S57-E60 PolarHBondContact O-N 3.31Å; S57-L61 WeakPolarHBondContact O-CG 3.44Å; S57-L61 PolarHBondContact O-N 2.91Å |
| 58 | H | 95.8 | Very high | 84.8 | Confident | 118 Ų | 118 | 114 Ų | 114 | 55% | 0.546 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.7 | -44.1 | 175.2 | 176.3 | -82.5 | 0 | 0 | 0 | 112.7 | N54 S56 E60 L61 E62 | N54-H58 VanDerWaalsContact O-CB 3.29Å; N54-H58 WeakPolarHBondContact O-CB 3.28Å; N54-H58 PolarHBondContact O-N 3.3Å; S56-H58 VanDerWaalsContact C-N 3.35Å; S56-H58 PolarHBondContact O-N 3.08Å; H58-E60 PolarHBondContact O-N 2.9Å; H58-L61 PolarHBondContact O-N 3.4Å; H58-E62 WeakPolarHBondContact O-CB 3.5Å; H58-E62 PolarHBondContact O-N 3.27Å |
| 59 | N | 96.3 | Very high | 86.7 | Confident | 89 Ų | 89 | 113.9 Ų | 113.9 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 179.8 | -74.4 | -8 | 0 | 0 | 0 | 112.7 | R55 S56 S57 E62 K63 | R55-N59 VanDerWaalsContact O-CG 3.26Å; R55-N59 PolarHBondContact O-N 3.27Å; R55-N59 VanDerWaalsContact O-N 3.1Å; R55-N59 PolarHBondContact O-OD1 3.4Å; S56-N59 PolarHBondContact O-N 2.95Å; S57-N59 VanDerWaalsContact C-N 3.35Å; S57-N59 PolarHBondContact O-N 3.21Å; N59-E62 PolarHBondContact O-N 3.49Å; N59-K63 VanDerWaalsContact O-CB 3.29Å; N59-K63 WeakPolarHBondContact O-CB 3.35Å; N59-K63 PolarHBondContact O-N 2.83Å |
| 60 | E | 96.2 | Very high | 88.6 | Confident | 109 Ų | 109 | 110.9 Ų | 110.9 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 176.3 | -73.6 | -55.5 | 130.5 | 0 | 0 | 111.6 | S56 S57 H58 E62 K63 H64 | S56-E60 PolarHBondContact O-N 2.9Å; S56-E60 VanDerWaalsContact O-N 3.1Å; S57-E60 PolarHBondContact O-N 3.31Å; H58-E60 PolarHBondContact O-N 2.9Å; E60-E62 PolarHBondContact O-N 2.96Å; E60-K63 WeakPolarHBondContact O-CB 3.25Å; E60-K63 PolarHBondContact O-N 2.93Å; E60-H64 PolarHBondContact O-N 2.93Å |
| 61 | L | 96.5 | Very high | 90.5 | Very high | 115 Ų | 115 | 107.4 Ų | 107.4 | 60% | 0.602 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 174.1 | -69.2 | 175.2 | 0 | 0 | 0 | 111.9 | S57 H58 H64 R65 | S57-L61 WeakPolarHBondContact O-CG 3.44Å; S57-L61 PolarHBondContact O-N 2.91Å; H58-L61 PolarHBondContact O-N 3.4Å; L61-H64 PolarHBondContact O-N 2.94Å; L61-R65 WeakPolarHBondContact O-CB 3.45Å; L61-R65 PolarHBondContact O-N 2.82Å |
| 62 | E | 97.6 | Very high | 92.3 | Very high | 42 Ų | 42 | 110.8 Ų | 110.8 | 20% | 0.196 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 178.2 | 179.3 | 56.8 | -162.2 | 0 | 0 | 111.9 | H58 N59 E60 R65 R66 | H58-E62 WeakPolarHBondContact O-CB 3.5Å; H58-E62 PolarHBondContact O-N 3.27Å; N59-E62 PolarHBondContact O-N 3.49Å; E60-E62 PolarHBondContact O-N 2.96Å; E62-R65 PolarHBondContact O-N 3.33Å; E62-R65 IonicContact OE1-CZ 2.76Å; E62-R65 IonicContact OE1-NE 3.46Å; E62-R65 PolarHBondContact OE1-NE 2.95Å; E62-R65 IonicContact OE1-NH2 3.46Å; E62-R65 PolarHBondContact OE1-NH2 3.03Å; E62-R65 IonicContact OE2-CZ 3.56Å; E62-R65 IonicContact OE2-NE 3.5Å; E62-R65 PolarHBondContact OE2-NE 3.25Å; E62-R65 IonicContact OE2-NH2 2.75Å; E62-R66 WeakPolarHBondContact O-CB 3.32Å; E62-R66 VanDerWaalsContact O-CG 3.27Å; E62-R66 WeakPolarHBondContact O-CG 3.47Å; E62-R66 PolarHBondContact O-N 3.42Å; E62-R66 WeakPolarHBondContact OE1-CG 3.49Å; E62-R66 IonicContact OE1-CZ 3.41Å; E62-R66 IonicContact OE1-NE 3.54Å; E62-R66 PolarHBondContact OE1-NE 2.89Å; E62-R66 IonicContact OE1-NH2 2.79Å; E62-R66 PolarHBondContact OE1-NH2 3.47Å |
| 63 | K | 98.1 | Very high | 93.8 | Very high | 133 Ų | 133 | 104.2 Ų | 104.2 | 58% | 0.578 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.8 | -46.9 | 173.6 | -178.3 | -177.3 | 174.7 | -170.6 | 0 | 111 | N59 E60 R66 A67 | N59-K63 VanDerWaalsContact O-CB 3.29Å; N59-K63 WeakPolarHBondContact O-CB 3.35Å; N59-K63 PolarHBondContact O-N 2.83Å; E60-K63 WeakPolarHBondContact O-CB 3.25Å; E60-K63 PolarHBondContact O-N 2.93Å; K63-R66 PolarHBondContact O-N 3.37Å; K63-A67 PolarHBondContact O-N 2.93Å |
| 64 | H | 97.9 | Very high | 95.1 | Very high | 106 Ų | 106 | 102.7 Ų | 102.7 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 175.2 | -174.2 | 54.2 | 0 | 0 | 0 | 111.9 | E60 L61 R66 A67 K68 | E60-H64 PolarHBondContact O-N 2.93Å; L61-H64 PolarHBondContact O-N 2.94Å; H64-R66 VanDerWaalsContact C-N 3.33Å; H64-R66 PolarHBondContact O-N 3.33Å; H64-A67 WeakPolarHBondContact O-CB 3.28Å; H64-A67 PolarHBondContact O-N 2.68Å; H64-K68 VanDerWaalsContact NE2-CE 3.33Å; H64-K68 WeakPolarHBondContact NE2-CE 3.39Å; H64-K68 PolarHBondContact O-N 2.86Å |
| 65 | R | 98.2 | Very high | 95.8 | Very high | 128 Ų | 128 | 102.1 Ų | 102.1 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.2 | -44.6 | 176.1 | -165.6 | -164.1 | 70.3 | 79.4 | 1.8 | 111.6 | L61 E62 K68 L69 | L61-R65 WeakPolarHBondContact O-CB 3.45Å; L61-R65 PolarHBondContact O-N 2.82Å; E62-R65 PolarHBondContact O-N 3.33Å; E62-R65 IonicContact OE1-CZ 2.76Å; E62-R65 IonicContact OE1-NE 3.46Å; E62-R65 PolarHBondContact OE1-NE 2.95Å; E62-R65 IonicContact OE1-NH2 3.46Å; E62-R65 PolarHBondContact OE1-NH2 3.03Å; E62-R65 IonicContact OE2-CZ 3.56Å; E62-R65 IonicContact OE2-NE 3.5Å; E62-R65 PolarHBondContact OE2-NE 3.25Å; E62-R65 IonicContact OE2-NH2 2.75Å; R65-K68 PolarHBondContact O-N 2.91Å; R65-L69 PolarHBondContact O-N 3.11Å |
| 66 | R | 97.8 | Very high | 96.1 | Very high | 133 Ų | 133 | 95.2 Ų | 95.2 | 50% | 0.502 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -36.2 | 176.6 | -73.4 | 177.5 | -173.4 | -178.5 | 0.8 | 112.6 | E62 K63 H64 L69 R70 | E62-R66 WeakPolarHBondContact O-CB 3.32Å; E62-R66 VanDerWaalsContact O-CG 3.27Å; E62-R66 WeakPolarHBondContact O-CG 3.47Å; E62-R66 PolarHBondContact O-N 3.42Å; E62-R66 WeakPolarHBondContact OE1-CG 3.49Å; E62-R66 IonicContact OE1-CZ 3.41Å; E62-R66 IonicContact OE1-NE 3.54Å; E62-R66 PolarHBondContact OE1-NE 2.89Å; E62-R66 IonicContact OE1-NH2 2.79Å; E62-R66 PolarHBondContact OE1-NH2 3.47Å; K63-R66 PolarHBondContact O-N 3.37Å; H64-R66 VanDerWaalsContact C-N 3.33Å; H64-R66 PolarHBondContact O-N 3.33Å; R66-L69 PolarHBondContact O-N 2.8Å; R66-R70 WeakPolarHBondContact O-CG 3.11Å; R66-R70 PolarHBondContact O-N 3.47Å; R66-R70 VanDerWaalsContact O-N 3.07Å |
| 67 | A | 98.1 | Very high | 96.2 | Very high | 51 Ų | 51 | 96.2 Ų | 96.2 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K63 H64 L69 R70 L71 | K63-A67 PolarHBondContact O-N 2.93Å; H64-A67 WeakPolarHBondContact O-CB 3.28Å; H64-A67 PolarHBondContact O-N 2.68Å; A67-L69 VanDerWaalsContact C-N 3.35Å; A67-L69 PolarHBondContact O-N 3.29Å; A67-R70 PolarHBondContact O-N 3.19Å; A67-L71 PolarHBondContact O-N 3.46Å; A67-L71 VanDerWaalsContact O-N 3.1Å |
| 68 | K | 98 | Very high | 96.1 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.3 | -43 | 174.1 | -73.2 | -177.2 | 173.1 | -179.4 | 0 | 112.8 | H64 R65 R70 L71 Y72 | H64-K68 VanDerWaalsContact NE2-CE 3.33Å; H64-K68 WeakPolarHBondContact NE2-CE 3.39Å; H64-K68 PolarHBondContact O-N 2.86Å; R65-K68 PolarHBondContact O-N 2.91Å; K68-R70 VanDerWaalsContact C-N 3.31Å; K68-R70 PolarHBondContact O-N 2.96Å; K68-L71 WeakPolarHBondContact O-CB 3.34Å; K68-L71 PolarHBondContact O-N 3.29Å; K68-Y72 PolarHBondContact O-N 3.25Å |
| 69 | L | 97.8 | Very high | 96 | Very high | 79 Ų | 79 | 101.1 Ų | 101.1 | 41% | 0.414 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 177.1 | 178 | 60.6 | 0 | 0 | 0 | 111.8 | R65 R66 A67 L71 Y72 L73 | R65-L69 PolarHBondContact O-N 3.11Å; R66-L69 PolarHBondContact O-N 2.8Å; A67-L69 VanDerWaalsContact C-N 3.35Å; A67-L69 PolarHBondContact O-N 3.29Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.07Å; L69-Y72 PolarHBondContact O-N 3.06Å; L69-L73 HydrophobicContact CD1-CD1 4.36Å; L69-L73 HydrophobicContact CD1-CG 4.32Å; L69-L73 HydrophobicContact CG-CD1 4.18Å; L69-L73 WeakPolarHBondContact O-CG 2.99Å; L69-L73 PolarHBondContact O-N 3.07Å |
| 70 | R | 95.9 | Very high | 95.8 | Very high | 166 Ų | 166 | 97.4 Ų | 97.4 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 176.3 | -71.2 | -180 | -174.6 | 109.9 | -4.8 | 111.7 | R66 A67 K68 L73 E74 | R66-R70 WeakPolarHBondContact O-CG 3.11Å; R66-R70 PolarHBondContact O-N 3.47Å; R66-R70 VanDerWaalsContact O-N 3.07Å; A67-R70 PolarHBondContact O-N 3.19Å; K68-R70 VanDerWaalsContact C-N 3.31Å; K68-R70 PolarHBondContact O-N 2.96Å; R70-L73 PolarHBondContact O-N 2.88Å; R70-E74 PolarHBondContact O-N 3.37Å |
| 71 | L | 97.1 | Very high | 95.4 | Very high | 86 Ų | 86 | 96.4 Ų | 96.4 | 45% | 0.45 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 175.4 | 176.9 | 66.2 | 0 | 0 | 0 | 111.7 | A67 K68 L69 L73 E74 Q75 | A67-L71 PolarHBondContact O-N 3.46Å; A67-L71 VanDerWaalsContact O-N 3.1Å; K68-L71 WeakPolarHBondContact O-CB 3.34Å; K68-L71 PolarHBondContact O-N 3.29Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.07Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3.33Å; L71-E74 WeakPolarHBondContact O-CB 3.44Å; L71-E74 PolarHBondContact O-N 3.26Å; L71-Q75 WeakPolarHBondContact O-CG 3.07Å; L71-Q75 PolarHBondContact O-N 3.42Å |
| 72 | Y | 96.9 | Very high | 94.7 | Very high | 141 Ų | 141 | 91.5 Ų | 91.5 | 55% | 0.553 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.9 | -38 | 178.4 | -63.9 | -27.4 | 0 | 0 | 0 | 112.7 | K68 L69 E74 Q75 L76 | K68-Y72 PolarHBondContact O-N 3.25Å; L69-Y72 PolarHBondContact O-N 3.06Å; Y72-E74 VanDerWaalsContact C-N 3.33Å; Y72-Q75 PolarHBondContact O-N 3.14Å; Y72-L76 WeakPolarHBondContact O-CB 3.41Å; Y72-L76 PolarHBondContact O-N 2.94Å |
| 73 | L | 95.1 | Very high | 93.4 | Very high | 29 Ų | 29 | 91.8 Ų | 91.8 | 15% | 0.152 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 174.5 | -68.3 | 172.7 | 0 | 0 | 0 | 111.9 | L69 R70 L71 L76 K77 T91 L94 | L69-L73 HydrophobicContact CD1-CD1 4.36Å; L69-L73 HydrophobicContact CD1-CG 4.32Å; L69-L73 HydrophobicContact CG-CD1 4.18Å; L69-L73 WeakPolarHBondContact O-CG 2.99Å; L69-L73 PolarHBondContact O-N 3.07Å; R70-L73 PolarHBondContact O-N 2.88Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3.33Å; L73-L76 PolarHBondContact O-N 3.25Å; L73-K77 VanDerWaalsContact O-CG 3.31Å; L73-K77 WeakPolarHBondContact O-CG 3.37Å; L73-K77 PolarHBondContact O-N 3.02Å; L73-T91 HydrophobicContact CD1-CG2 3.89Å; L73-T91 HydrophobicContact CD2-CG2 3.9Å; L73-L94 HydrophobicContact CB-CD2 4.39Å; L73-L94 HydrophobicContact CD2-CD2 4.07Å |
| 74 | E | 92.9 | Very high | 91.9 | Very high | 99 Ų | 99 | 91.6 Ų | 91.6 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 174.5 | -166 | -164.1 | 138.4 | 0 | 0 | 111.9 | R70 L71 Y72 L76 K77 K78 | R70-E74 PolarHBondContact O-N 3.37Å; L71-E74 WeakPolarHBondContact O-CB 3.44Å; L71-E74 PolarHBondContact O-N 3.26Å; Y72-E74 VanDerWaalsContact C-N 3.33Å; E74-L76 VanDerWaalsContact C-N 3.34Å; E74-L76 PolarHBondContact O-N 3.29Å; E74-K77 WeakPolarHBondContact O-CB 3.47Å; E74-K77 PolarHBondContact O-N 3.11Å; E74-K78 PolarHBondContact O-N 3.39Å; E74-K78 IonicContact OE1-NZ 2.8Å; E74-K78 PolarHBondContact OE1-NZ 2.69Å |
| 75 | Q | 95.3 | Very high | 90.1 | Very high | 96 Ų | 96 | 93.4 Ų | 93.4 | 45% | 0.449 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 173.7 | -71.6 | 175.9 | -21.9 | 0 | 0 | 111.4 | L71 Y72 K77 K78 | L71-Q75 WeakPolarHBondContact O-CG 3.07Å; L71-Q75 PolarHBondContact O-N 3.42Å; Y72-Q75 PolarHBondContact O-N 3.14Å; Q75-K77 VanDerWaalsContact C-N 3.27Å; Q75-K77 PolarHBondContact O-N 2.95Å; Q75-K78 WeakPolarHBondContact O-CB 3.46Å; Q75-K78 PolarHBondContact O-N 3.11Å; Q75-K78 VanDerWaalsContact O-N 3.07Å |
| 76 | L | 94.8 | Very high | 88.4 | Confident | 45 Ų | 45 | 89.8 Ų | 89.8 | 24% | 0.236 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 177.1 | -178.2 | 60.5 | 0 | 0 | 0 | 111.8 | Y72 L73 E74 K78 L79 V80 L94 L95 A98 | Y72-L76 WeakPolarHBondContact O-CB 3.41Å; Y72-L76 PolarHBondContact O-N 2.94Å; L73-L76 PolarHBondContact O-N 3.25Å; E74-L76 VanDerWaalsContact C-N 3.34Å; E74-L76 PolarHBondContact O-N 3.29Å; L76-K78 PolarHBondContact O-N 2.93Å; L76-L79 PolarHBondContact O-N 3.34Å; L76-L79 VanDerWaalsContact O-N 3.14Å; L76-V80 HydrophobicContact CD1-CG2 3.73Å; L76-V80 HydrophobicContact CG-CG2 4.07Å; L76-V80 WeakPolarHBondContact O-CG2 3.45Å; L76-V80 PolarHBondContact O-N 3.14Å; L76-V80 VanDerWaalsContact O-N 3.07Å; L76-L94 HydrophobicContact CB-CD2 4.4Å; L76-L94 HydrophobicContact CD2-CD1 4.36Å; L76-L94 HydrophobicContact CD2-CD2 4Å; L76-L94 HydrophobicContact CD2-CG 3.85Å; L76-L94 HydrophobicContact CG-CD1 4.16Å; L76-L94 HydrophobicContact CG-CD2 4.27Å; L76-L94 HydrophobicContact CG-CG 4.16Å; L76-L95 HydrophobicContact CD2-CD2 3.97Å; L76-A98 HydrophobicContact CD1-CB 4.02Å; L76-A98 HydrophobicContact CD2-CB 4.24Å; L76-A98 HydrophobicContact CG-CB 4.46Å |
| 77 | K | 91.6 | Very high | 86.8 | Confident | 89 Ų | 89 | 90 Ų | 90 | 39% | 0.387 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.9 | -29.9 | 176.7 | -72.5 | 171.4 | -178.3 | -179.7 | 0 | 113.6 | L73 E74 Q75 L79 L82 L94 | L73-K77 VanDerWaalsContact O-CG 3.31Å; L73-K77 WeakPolarHBondContact O-CG 3.37Å; L73-K77 PolarHBondContact O-N 3.02Å; E74-K77 WeakPolarHBondContact O-CB 3.47Å; E74-K77 PolarHBondContact O-N 3.11Å; Q75-K77 VanDerWaalsContact C-N 3.27Å; Q75-K77 PolarHBondContact O-N 2.95Å; K77-L79 VanDerWaalsContact C-N 3.33Å; K77-L82 HydrophobicContact CB-CD1 3.81Å; K77-L82 HydrophobicContact CG-CD1 3.77Å; K77-L94 HydrophobicContact CG-CD1 3.89Å; K77-L94 HydrophobicContact CG-CD2 3.7Å; K77-L94 HydrophobicContact CG-CG 4.45Å |
| 78 | K | 90.9 | Very high | 85.5 | Confident | 153 Ų | 153 | 98.7 Ų | 98.7 | 67% | 0.665 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -73.3 | -27 | 178.5 | -63.3 | 175.3 | -173.8 | 174.3 | 0 | 112.4 | E74 Q75 L76 | E74-K78 PolarHBondContact O-N 3.39Å; E74-K78 IonicContact OE1-NZ 2.8Å; E74-K78 PolarHBondContact OE1-NZ 2.69Å; Q75-K78 WeakPolarHBondContact O-CB 3.46Å; Q75-K78 PolarHBondContact O-N 3.11Å; Q75-K78 VanDerWaalsContact O-N 3.07Å; L76-K78 PolarHBondContact O-N 2.93Å |
| 79 | L | 93.2 | Very high | 84.9 | Confident | 134 Ų | 134 | 95.7 Ų | 95.7 | 70% | 0.702 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -91.3 | -28.6 | -178.4 | -61.5 | 176.8 | 0 | 0 | 0 | 112.8 | L76 K77 | L76-L79 PolarHBondContact O-N 3.34Å; L76-L79 VanDerWaalsContact O-N 3.14Å; K77-L79 VanDerWaalsContact C-N 3.33Å |
| 80 | V | 93.1 | Very high | 84.7 | Confident | 11 Ų | 11 | 96.1 Ų | 96.1 | 7% | 0.067 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -89.2 | 129.9 | -177.6 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | L76 L82 L94 R97 A98 | L76-V80 HydrophobicContact CD1-CG2 3.73Å; L76-V80 HydrophobicContact CG-CG2 4.07Å; L76-V80 WeakPolarHBondContact O-CG2 3.45Å; L76-V80 PolarHBondContact O-N 3.14Å; L76-V80 VanDerWaalsContact O-N 3.07Å; V80-L82 HydrophobicContact CB-CD2 4.33Å; V80-L82 HydrophobicContact CB-CG 4.14Å; V80-L82 HydrophobicContact CG1-CD2 3.76Å; V80-L82 HydrophobicContact CG1-CG 3.97Å; V80-L82 WeakPolarHBondContact O-CG 3.42Å; V80-L82 PolarHBondContact O-N 2.92Å; V80-L94 HydrophobicContact CB-CD1 4.34Å; V80-L94 HydrophobicContact CG2-CD1 4.38Å; V80-R97 HydrophobicContact CG1-CB 3.98Å; V80-A98 HydrophobicContact CG2-CB 3.72Å |
| 81 | P | 87.8 | Confident | 84.5 | Confident | 87 Ų | 87 | 92 Ų | 92 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | trans | -71.8 | 95.5 | 173.5 | 27.2 | -31.4 | 0 | 0 | 0 | 109.6 | H101 | P81-H101 VanDerWaalsContact CD-CD2 3.46Å; P81-H101 WeakPolarHBondContact CD-CD2 3.31Å | ||
| 82 | L | 80.2 | Confident | 84.4 | Confident | 13 Ų | 13 | 93.1 Ų | 93.1 | 7% | 0.068 | 49% | 0.489 | C | S | . | . | trans | -93.2 | -8.9 | -174.5 | -66.8 | 162.6 | 0 | 0 | 0 | 114.2 | K77 V80 H89 L94 R97 | K77-L82 HydrophobicContact CB-CD1 3.81Å; K77-L82 HydrophobicContact CG-CD1 3.77Å; V80-L82 HydrophobicContact CB-CD2 4.33Å; V80-L82 HydrophobicContact CB-CG 4.14Å; V80-L82 HydrophobicContact CG1-CD2 3.76Å; V80-L82 HydrophobicContact CG1-CG 3.97Å; V80-L82 WeakPolarHBondContact O-CG 3.42Å; V80-L82 PolarHBondContact O-N 2.92Å; L82-H89 VanDerWaalsContact CB-NE2 3.26Å; L82-H89 WeakPolarHBondContact CB-NE2 3.07Å; L82-L94 HydrophobicContact CD1-CD1 3.73Å; L82-L94 HydrophobicContact CD2-CD1 3.8Å; L82-L94 HydrophobicContact CG-CD1 4.3Å; L82-R97 HydrophobicContact CD2-CB 4.32Å | ||
| 83 | G | 72.1 | Confident | 84.2 | Confident | 47 Ų | 47 | 88.1 Ų | 88.1 | 49% | 0.485 | 47% | 0.474 | S | S | . | . | trans | 74.9 | 170.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D85 S86 | G83-D85 VanDerWaalsContact C-N 3.25Å; G83-D85 PolarHBondContact O-N 3.23Å; G83-S86 WeakPolarHBondContact O-CB 3.38Å | ||
| 84 | P | 65.8 | Low | 84.1 | Confident | 129 Ų | 129 | 86.8 Ų | 86.8 | 84% | 0.838 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -70.6 | -14.2 | -179.9 | 26.9 | -32.6 | 0 | 0 | 0 | 114.3 | S86 | P84-S86 PolarHBondContact O-N 3.41Š|
| 85 | D | 59.2 | Low | 84.2 | Confident | 144 Ų | 144 | 86.2 Ų | 86.2 | 77% | 0.77 | 47% | 0.467 | S | S | * | . | trans | -73.5 | 23.9 | 171.9 | -58.2 | -40.9 | 0 | 0 | 0 | 113.5 | G83 T87 | G83-D85 VanDerWaalsContact C-N 3.25Å; G83-D85 PolarHBondContact O-N 3.23Å; D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 3.17Å | ||
| 86 | S | 63.1 | Low | 84.2 | Confident | 52 Ų | 52 | 88 Ų | 88 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -81.5 | -0.4 | -165.3 | 149 | 0 | 0 | 0 | 0 | 114.2 | G83 P84 R88 H89 | G83-S86 WeakPolarHBondContact O-CB 3.38Å; P84-S86 PolarHBondContact O-N 3.41Å; S86-R88 PolarHBondContact O-N 2.95Å; S86-H89 WeakPolarHBondContact CA-CE1 3.26Å; S86-H89 WeakPolarHBondContact CA-NE2 3.44Å; S86-H89 WeakPolarHBondContact CB-CE1 3.45Å; S86-H89 WeakPolarHBondContact CB-NE2 3.31Å; S86-H89 PolarHBondContact O-CE1 2.7Å; S86-H89 PolarHBondContact O-ND1 3.49Å; S86-H89 PolarHBondContact O-NE2 2.87Å; S86-H89 PolarHBondContact OG-CE1 2.65Å; S86-H89 PolarHBondContact OG-NE2 2.95Å |
| 87 | T | 63.4 | Low | 84.1 | Confident | 138 Ų | 138 | 92.1 Ų | 92.1 | 85% | 0.847 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -71.6 | -17.6 | 178.6 | 42.2 | 0 | 0 | 0 | 0 | 113.1 | D85 | D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 3.17Å |
| 88 | R | 71.8 | Confident | 84.3 | Confident | 233 Ų | 233 | 88.5 Ų | 88.5 | 88% | 0.879 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -134.1 | 63.8 | 179.9 | -71.2 | -176.2 | -177.4 | -113.6 | 1.3 | 114.5 | S86 | S86-R88 PolarHBondContact O-N 2.95Š|
| 89 | H | 85.8 | Confident | 84.5 | Confident | 39 Ų | 39 | 87.9 Ų | 87.9 | 18% | 0.181 | 47% | 0.47 | C | S | . | . | trans | -90.4 | 135.1 | 166.3 | -21.4 | 90.2 | 0 | 0 | 0 | 112.1 | L82 S86 | L82-H89 VanDerWaalsContact CB-NE2 3.26Å; L82-H89 WeakPolarHBondContact CB-NE2 3.07Å; S86-H89 WeakPolarHBondContact CA-CE1 3.26Å; S86-H89 WeakPolarHBondContact CA-NE2 3.44Å; S86-H89 WeakPolarHBondContact CB-CE1 3.45Å; S86-H89 WeakPolarHBondContact CB-NE2 3.31Å; S86-H89 PolarHBondContact O-CE1 2.7Å; S86-H89 PolarHBondContact O-ND1 3.49Å; S86-H89 PolarHBondContact O-NE2 2.87Å; S86-H89 PolarHBondContact OG-CE1 2.65Å; S86-H89 PolarHBondContact OG-NE2 2.95Å | ||
| 90 | T | 92.4 | Very high | 84.7 | Confident | 88 Ų | 88 | 87.3 Ų | 87.3 | 54% | 0.54 | 47% | 0.465 | S | S | . | . | trans | -85.4 | 161.9 | 165.4 | 67.6 | 0 | 0 | 0 | 0 | 109.8 | L92 S93 L94 | T90-L92 PolarHBondContact O-N 3.43Å; T90-S93 PolarHBondContact N-OG 3.28Å; T90-S93 PolarHBondContact O-N 3.28Å; T90-S93 PolarHBondContact O-OG 3.17Å; T90-S93 PolarHBondContact OG1-N 2.93Å; T90-S93 PolarHBondContact OG1-OG 3.32Å; T90-L94 PolarHBondContact O-N 2.91Å; T90-L94 VanDerWaalsContact O-N 3.15Å | ||
| 91 | T | 93.1 | Very high | 84.8 | Confident | 79 Ų | 79 | 89 Ų | 89 | 49% | 0.485 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.9 | -39.3 | 174.6 | -54 | 0 | 0 | 0 | 0 | 111.4 | L73 L95 | L73-T91 HydrophobicContact CD1-CG2 3.89Å; L73-T91 HydrophobicContact CD2-CG2 3.9Å; T91-L95 HydrophobicContact CG2-CD1 4.08Å; T91-L95 HydrophobicContact CG2-CG 4.5Å; T91-L95 VanDerWaalsContact O-CG 3.26Å; T91-L95 WeakPolarHBondContact O-CG 3.35Å; T91-L95 PolarHBondContact O-N 2.95Å; T91-L95 VanDerWaalsContact O-N 3.1Å |
| 92 | L | 94 | Very high | 85.3 | Confident | 109 Ų | 109 | 89.2 Ų | 89.2 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.2 | -45.6 | -179.6 | -178.7 | 61.6 | 0 | 0 | 0 | 112.2 | T90 L94 L95 K96 | T90-L92 PolarHBondContact O-N 3.43Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.45Å; L92-L95 PolarHBondContact O-N 3.49Å; L92-K96 HydrophobicContact CD1-CG 4.4Å; L92-K96 HydrophobicContact CG-CD 4.43Å; L92-K96 WeakPolarHBondContact O-CG 3.5Å; L92-K96 PolarHBondContact O-N 3.39Å |
| 93 | S | 92.3 | Very high | 86.1 | Confident | 36 Ų | 36 | 94 Ų | 94 | 25% | 0.252 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -37.3 | -179.5 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | T90 K96 R97 | T90-S93 PolarHBondContact N-OG 3.28Å; T90-S93 PolarHBondContact O-N 3.28Å; T90-S93 PolarHBondContact O-OG 3.17Å; T90-S93 PolarHBondContact OG1-N 2.93Å; T90-S93 PolarHBondContact OG1-OG 3.32Å; S93-K96 PolarHBondContact O-N 2.99Å; S93-R97 WeakPolarHBondContact O-CB 3.46Å; S93-R97 WeakPolarHBondContact O-CG 3.46Å; S93-R97 PolarHBondContact O-N 2.98Å |
| 94 | L | 93.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 97.9 Ų | 97.9 | 1% | 0.005 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -59.2 | -49.5 | 172.9 | 177 | 61.2 | 0 | 0 | 0 | 111.7 | L73 L76 K77 V80 L82 T90 L92 R97 A98 | L73-L94 HydrophobicContact CB-CD2 4.39Å; L73-L94 HydrophobicContact CD2-CD2 4.07Å; L76-L94 HydrophobicContact CB-CD2 4.4Å; L76-L94 HydrophobicContact CD2-CD1 4.36Å; L76-L94 HydrophobicContact CD2-CD2 4Å; L76-L94 HydrophobicContact CD2-CG 3.85Å; L76-L94 HydrophobicContact CG-CD1 4.16Å; L76-L94 HydrophobicContact CG-CD2 4.27Å; L76-L94 HydrophobicContact CG-CG 4.16Å; K77-L94 HydrophobicContact CG-CD1 3.89Å; K77-L94 HydrophobicContact CG-CD2 3.7Å; K77-L94 HydrophobicContact CG-CG 4.45Å; V80-L94 HydrophobicContact CB-CD1 4.34Å; V80-L94 HydrophobicContact CG2-CD1 4.38Å; L82-L94 HydrophobicContact CD1-CD1 3.73Å; L82-L94 HydrophobicContact CD2-CD1 3.8Å; L82-L94 HydrophobicContact CG-CD1 4.3Å; T90-L94 PolarHBondContact O-N 2.91Å; T90-L94 VanDerWaalsContact O-N 3.15Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.45Å; L94-R97 PolarHBondContact O-N 3.15Å; L94-A98 WeakPolarHBondContact O-CB 3.38Å; L94-A98 PolarHBondContact O-N 3.46Å |
| 95 | L | 95.3 | Very high | 88.9 | Confident | 88 Ų | 88 | 95.2 Ų | 95.2 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | -179.3 | -67.3 | 173.7 | 0 | 0 | 0 | 112.1 | L76 T91 L92 A98 K99 | L76-L95 HydrophobicContact CD2-CD2 3.97Å; T91-L95 HydrophobicContact CG2-CD1 4.08Å; T91-L95 HydrophobicContact CG2-CG 4.5Å; T91-L95 VanDerWaalsContact O-CG 3.26Å; T91-L95 WeakPolarHBondContact O-CG 3.35Å; T91-L95 PolarHBondContact O-N 2.95Å; T91-L95 VanDerWaalsContact O-N 3.1Å; L92-L95 PolarHBondContact O-N 3.49Å; L95-A98 PolarHBondContact O-N 2.84Å; L95-K99 PolarHBondContact O-N 3.4Å |
| 96 | K | 94.1 | Very high | 90.7 | Very high | 133 Ų | 133 | 94 Ų | 94 | 58% | 0.578 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.3 | -47.4 | 174.4 | -74.8 | -175.3 | 176.8 | -173.3 | 0 | 111.2 | L92 S93 K99 M100 | L92-K96 HydrophobicContact CD1-CG 4.4Å; L92-K96 HydrophobicContact CG-CD 4.43Å; L92-K96 WeakPolarHBondContact O-CG 3.5Å; L92-K96 PolarHBondContact O-N 3.39Å; S93-K96 PolarHBondContact O-N 2.99Å; K96-K99 PolarHBondContact O-N 3.34Å; K96-M100 WeakPolarHBondContact O-CG 3.48Å; K96-M100 PolarHBondContact O-N 3.14Å |
| 97 | R | 93 | Very high | 92.4 | Very high | 132 Ų | 132 | 94.1 Ų | 94.1 | 50% | 0.498 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 178 | -72.8 | 178.7 | -179.5 | -121 | 2.9 | 112.4 | V80 L82 S93 L94 M100 H101 | V80-R97 HydrophobicContact CG1-CB 3.98Å; L82-R97 HydrophobicContact CD2-CB 4.32Å; S93-R97 WeakPolarHBondContact O-CB 3.46Å; S93-R97 WeakPolarHBondContact O-CG 3.46Å; S93-R97 PolarHBondContact O-N 2.98Å; L94-R97 PolarHBondContact O-N 3.15Å; R97-M100 PolarHBondContact O-N 2.8Å; R97-H101 WeakPolarHBondContact O-CB 3.4Å; R97-H101 PolarHBondContact O-N 3.27Å |
| 98 | A | 95.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 92.1 Ų | 92.1 | 10% | 0.099 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L76 V80 L94 L95 M100 H101 I102 | L76-A98 HydrophobicContact CD1-CB 4.02Å; L76-A98 HydrophobicContact CD2-CB 4.24Å; L76-A98 HydrophobicContact CG-CB 4.46Å; V80-A98 HydrophobicContact CG2-CB 3.72Å; L94-A98 WeakPolarHBondContact O-CB 3.38Å; L94-A98 PolarHBondContact O-N 3.46Å; L95-A98 PolarHBondContact O-N 2.84Å; A98-M100 VanDerWaalsContact C-N 3.31Å; A98-M100 PolarHBondContact O-N 3.4Å; A98-H101 PolarHBondContact O-N 3.07Å; A98-H101 VanDerWaalsContact O-N 3.14Å; A98-I102 WeakPolarHBondContact O-CG1 3.4Å; A98-I102 PolarHBondContact O-N 3.38Å |
| 99 | K | 96.1 | Very high | 95.3 | Very high | 140 Ų | 140 | 86.1 Ų | 86.1 | 61% | 0.609 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.4 | -44.2 | 176 | -176.3 | 178.7 | -178.1 | 178.4 | 0 | 111.7 | L95 K96 H101 K103 | L95-K99 PolarHBondContact O-N 3.4Å; K96-K99 PolarHBondContact O-N 3.34Å; K99-H101 VanDerWaalsContact C-N 3.35Å; K99-K103 PolarHBondContact O-N 2.97Å |
| 100 | M | 96.4 | Very high | 95.9 | Very high | 123 Ų | 123 | 91.1 Ų | 91.1 | 61% | 0.606 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.3 | -38.6 | 176.4 | -70.1 | -59.2 | -63.4 | 0 | 0 | 112.2 | K96 R97 A98 K103 K104 | K96-M100 WeakPolarHBondContact O-CG 3.48Å; K96-M100 PolarHBondContact O-N 3.14Å; R97-M100 PolarHBondContact O-N 2.8Å; A98-M100 VanDerWaalsContact C-N 3.31Å; A98-M100 PolarHBondContact O-N 3.4Å; M100-K103 PolarHBondContact O-N 3.38Å; M100-K104 WeakPolarHBondContact O-CB 3.43Å; M100-K104 PolarHBondContact O-N 3.2Å |
| 101 | H | 96.4 | Very high | 96.2 | Very high | 47 Ų | 47 | 92.4 Ų | 92.4 | 22% | 0.218 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 179.6 | -174.7 | 42.1 | 0 | 0 | 0 | 112 | P81 R97 A98 K99 K103 K104 L105 | P81-H101 VanDerWaalsContact CD-CD2 3.46Å; P81-H101 WeakPolarHBondContact CD-CD2 3.31Å; R97-H101 WeakPolarHBondContact O-CB 3.4Å; R97-H101 PolarHBondContact O-N 3.27Å; A98-H101 PolarHBondContact O-N 3.07Å; A98-H101 VanDerWaalsContact O-N 3.14Å; K99-H101 VanDerWaalsContact C-N 3.35Å; H101-K103 PolarHBondContact O-N 3.23Å; H101-K104 WeakPolarHBondContact O-CB 3.38Å; H101-K104 PolarHBondContact O-N 3.33Å; H101-L105 WeakPolarHBondContact O-CG 3.34Å; H101-L105 PolarHBondContact O-N 3.38Å |
| 102 | I | 97.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 91.4 Ų | 91.4 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.3 | -51.2 | 173.9 | -66.5 | 165.2 | 0 | 0 | 0 | 110.1 | A98 K104 L105 E106 | A98-I102 WeakPolarHBondContact O-CG1 3.4Å; A98-I102 PolarHBondContact O-N 3.38Å; I102-K104 VanDerWaalsContact C-N 3.25Å; I102-K104 PolarHBondContact O-N 3.02Å; I102-L105 PolarHBondContact O-N 3.1Å; I102-L105 VanDerWaalsContact O-N 3.11Å; I102-E106 HydrophobicContact CG2-CG 4.4Å; I102-E106 WeakPolarHBondContact O-CG 3.36Å; I102-E106 PolarHBondContact O-N 3.43Å |
| 103 | K | 98.1 | Very high | 96.6 | Very high | 112 Ų | 112 | 91.6 Ų | 91.6 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56.5 | -39.7 | 176.9 | -73.3 | -174 | 172.2 | -165.8 | 0 | 112.8 | K99 M100 H101 E107 | K99-K103 PolarHBondContact O-N 2.97Å; M100-K103 PolarHBondContact O-N 3.38Å; H101-K103 PolarHBondContact O-N 3.23Å; K103-E107 PolarHBondContact O-N 3.02Å; K103-E107 VanDerWaalsContact O-N 3.14Å |
| 104 | K | 97.5 | Very high | 96.9 | Very high | 129 Ų | 129 | 94.4 Ų | 94.4 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.2 | -44.4 | 177.9 | -176.7 | 179.1 | 178.2 | 179 | 0 | 111.4 | M100 H101 I102 E107 Q108 | M100-K104 WeakPolarHBondContact O-CB 3.43Å; M100-K104 PolarHBondContact O-N 3.2Å; H101-K104 WeakPolarHBondContact O-CB 3.38Å; H101-K104 PolarHBondContact O-N 3.33Å; I102-K104 VanDerWaalsContact C-N 3.25Å; I102-K104 PolarHBondContact O-N 3.02Å; K104-E107 PolarHBondContact O-N 3.45Å; K104-Q108 WeakPolarHBondContact O-CG 3.26Å; K104-Q108 PolarHBondContact O-N 3.07Å |
| 105 | L | 98.1 | Very high | 97.2 | Very high | 73 Ų | 73 | 98.4 Ų | 98.4 | 38% | 0.382 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 177.6 | -70.6 | 174 | 0 | 0 | 0 | 111.3 | H101 I102 E107 Q108 D109 | H101-L105 WeakPolarHBondContact O-CG 3.34Å; H101-L105 PolarHBondContact O-N 3.38Å; I102-L105 PolarHBondContact O-N 3.1Å; I102-L105 VanDerWaalsContact O-N 3.11Å; L105-E107 VanDerWaalsContact C-N 3.26Å; L105-E107 PolarHBondContact O-N 3.19Å; L105-Q108 PolarHBondContact O-N 3.22Å; L105-Q108 VanDerWaalsContact O-N 3.11Å; L105-D109 PolarHBondContact O-N 3.32Å |
| 106 | E | 98.1 | Very high | 97.3 | Very high | 118 Ų | 118 | 100 Ų | 100 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.7 | -39.7 | 176.5 | -69.9 | 170.6 | 165.4 | 0 | 0 | 112.2 | I102 R110 | I102-E106 HydrophobicContact CG2-CG 4.4Å; I102-E106 WeakPolarHBondContact O-CG 3.36Å; I102-E106 PolarHBondContact O-N 3.43Å; E106-R110 WeakPolarHBondContact O-CB 3.35Å; E106-R110 PolarHBondContact O-N 3.3Å |
| 107 | E | 98.1 | Very high | 97.5 | Very high | 55 Ų | 55 | 97.7 Ų | 97.7 | 26% | 0.257 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 175.6 | -121.4 | -77.9 | 95.7 | 0 | 0 | 113.2 | K103 K104 L105 D109 R110 K111 | K103-E107 PolarHBondContact O-N 3.02Å; K103-E107 VanDerWaalsContact O-N 3.14Å; K104-E107 PolarHBondContact O-N 3.45Å; L105-E107 VanDerWaalsContact C-N 3.26Å; L105-E107 PolarHBondContact O-N 3.19Å; E107-D109 VanDerWaalsContact C-N 3.33Å; E107-R110 PolarHBondContact O-N 3.1Å; E107-R110 IonicContact OE1-CZ 3.47Å; E107-R110 IonicContact OE1-NE 2.7Å; E107-R110 PolarHBondContact OE1-NE 3.16Å; E107-R110 IonicContact OE1-NH2 3.29Å; E107-R110 PolarHBondContact OE1-NH2 2.97Å; E107-R110 IonicContact OE2-NH2 3.59Å; E107-K111 WeakPolarHBondContact O-CB 3.45Å; E107-K111 WeakPolarHBondContact O-CG 3.47Å; E107-K111 PolarHBondContact O-N 3.48Å; E107-K111 WeakPolarHBondContact OE2-CE 3.29Å; E107-K111 IonicContact OE2-NZ 2.87Å; E107-K111 PolarHBondContact OE2-NZ 3.41Å |
| 108 | Q | 98.1 | Very high | 97.8 | Very high | 96 Ų | 96 | 95.5 Ų | 95.5 | 45% | 0.449 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.9 | -75.1 | -179.7 | -43.7 | 0 | 0 | 110.9 | K104 L105 K111 A112 | K104-Q108 WeakPolarHBondContact O-CG 3.26Å; K104-Q108 PolarHBondContact O-N 3.07Å; L105-Q108 PolarHBondContact O-N 3.22Å; L105-Q108 VanDerWaalsContact O-N 3.11Å; Q108-K111 PolarHBondContact O-N 2.98Å; Q108-A112 VanDerWaalsContact O-CB 3.28Å; Q108-A112 WeakPolarHBondContact O-CB 3.4Å; Q108-A112 PolarHBondContact O-N 3.41Å |
| 109 | D | 98.3 | Very high | 97.9 | Very high | 107 Ų | 107 | 99.7 Ų | 99.7 | 57% | 0.572 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.3 | -45.2 | 175.9 | -75.1 | -11.7 | 0 | 0 | 0 | 111.3 | L105 E107 K111 A112 L113 | L105-D109 PolarHBondContact O-N 3.32Å; E107-D109 VanDerWaalsContact C-N 3.33Å; D109-K111 PolarHBondContact O-N 3.31Å; D109-A112 PolarHBondContact O-N 2.88Å; D109-L113 WeakPolarHBondContact O-CG 3.41Å; D109-L113 PolarHBondContact O-N 3.4Å |
| 110 | R | 98.4 | Very high | 98 | Very high | 144 Ų | 144 | 97.4 Ų | 97.4 | 54% | 0.543 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 175.1 | -179.1 | 172.5 | 61.6 | -152.2 | 15.7 | 112.1 | E106 E107 L113 N114 | E106-R110 WeakPolarHBondContact O-CB 3.35Å; E106-R110 PolarHBondContact O-N 3.3Å; E107-R110 PolarHBondContact O-N 3.1Å; E107-R110 IonicContact OE1-CZ 3.47Å; E107-R110 IonicContact OE1-NE 2.7Å; E107-R110 PolarHBondContact OE1-NE 3.16Å; E107-R110 IonicContact OE1-NH2 3.29Å; E107-R110 PolarHBondContact OE1-NH2 2.97Å; E107-R110 IonicContact OE2-NH2 3.59Å; R110-L113 PolarHBondContact O-N 3.01Å; R110-N114 PolarHBondContact O-N 3.36Å; R110-N114 VanDerWaalsContact O-N 3.11Å |
| 111 | K | 98.2 | Very high | 98.1 | Very high | 116 Ų | 116 | 96.5 Ų | 96.5 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.8 | -78.4 | 170.3 | 167.8 | 158.3 | 0 | 111.9 | E107 Q108 D109 L113 N114 V115 | E107-K111 WeakPolarHBondContact O-CB 3.45Å; E107-K111 WeakPolarHBondContact O-CG 3.47Å; E107-K111 PolarHBondContact O-N 3.48Å; E107-K111 WeakPolarHBondContact OE2-CE 3.29Å; E107-K111 IonicContact OE2-NZ 2.87Å; E107-K111 PolarHBondContact OE2-NZ 3.41Å; Q108-K111 PolarHBondContact O-N 2.98Å; D109-K111 PolarHBondContact O-N 3.31Å; K111-L113 VanDerWaalsContact C-N 3.31Å; K111-L113 PolarHBondContact O-N 3.35Å; K111-N114 PolarHBondContact O-N 3.22Å; K111-V115 WeakPolarHBondContact O-CG2 3.33Å; K111-V115 PolarHBondContact O-N 2.95Å |
| 112 | A | 98.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q108 D109 V115 K116 | Q108-A112 VanDerWaalsContact O-CB 3.28Å; Q108-A112 WeakPolarHBondContact O-CB 3.4Å; Q108-A112 PolarHBondContact O-N 3.41Å; D109-A112 PolarHBondContact O-N 2.88Å; A112-V115 PolarHBondContact O-N 3.38Å; A112-K116 VanDerWaalsContact O-CB 3.28Å; A112-K116 WeakPolarHBondContact O-CB 3.5Å; A112-K116 PolarHBondContact O-N 3.18Å |
| 113 | L | 98.4 | Very high | 98.1 | Very high | 112 Ų | 112 | 100.3 Ų | 100.3 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 173.6 | -71.9 | 175.4 | 0 | 0 | 0 | 112.1 | D109 R110 K111 K116 E117 | D109-L113 WeakPolarHBondContact O-CG 3.41Å; D109-L113 PolarHBondContact O-N 3.4Å; R110-L113 PolarHBondContact O-N 3.01Å; K111-L113 VanDerWaalsContact C-N 3.31Å; K111-L113 PolarHBondContact O-N 3.35Å; L113-K116 WeakPolarHBondContact O-CB 3.41Å; L113-K116 PolarHBondContact O-N 2.96Å; L113-E117 PolarHBondContact O-N 2.87Å |
| 114 | N | 98.3 | Very high | 98.1 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 177.3 | -68.9 | -11.9 | 0 | 0 | 0 | 111.9 | R110 K111 E117 Q118 | R110-N114 PolarHBondContact O-N 3.36Å; R110-N114 VanDerWaalsContact O-N 3.11Å; K111-N114 PolarHBondContact O-N 3.22Å; N114-E117 PolarHBondContact O-N 3.31Å; N114-Q118 WeakPolarHBondContact O-CB 3.27Å; N114-Q118 PolarHBondContact O-N 3.1Å |
| 115 | V | 98.3 | Very high | 98.2 | Very high | 86 Ų | 86 | 101.7 Ų | 101.7 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | K111 A112 E117 Q118 L119 | K111-V115 WeakPolarHBondContact O-CG2 3.33Å; K111-V115 PolarHBondContact O-N 2.95Å; A112-V115 PolarHBondContact O-N 3.38Å; V115-E117 VanDerWaalsContact C-N 3.31Å; V115-E117 PolarHBondContact O-N 3.47Å; V115-Q118 PolarHBondContact O-N 3.49Å; V115-L119 HydrophobicContact CG1-CD1 3.95Å; V115-L119 HydrophobicContact CG1-CG 4.34Å; V115-L119 WeakPolarHBondContact O-CB 3.43Å; V115-L119 WeakPolarHBondContact O-CG 3.29Å; V115-L119 PolarHBondContact O-N 2.91Å |
| 116 | K | 98.4 | Very high | 98.1 | Very high | 122 Ų | 122 | 103.3 Ų | 103.3 | 53% | 0.53 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 175.2 | 179.2 | -177.6 | 176.6 | -178.3 | 0 | 111.3 | A112 L113 L119 Q120 | A112-K116 VanDerWaalsContact O-CB 3.28Å; A112-K116 WeakPolarHBondContact O-CB 3.5Å; A112-K116 PolarHBondContact O-N 3.18Å; L113-K116 WeakPolarHBondContact O-CB 3.41Å; L113-K116 PolarHBondContact O-N 2.96Å; K116-L119 PolarHBondContact O-N 3.33Å; K116-Q120 WeakPolarHBondContact O-CB 3.4Å; K116-Q120 VanDerWaalsContact O-CG 3.25Å; K116-Q120 WeakPolarHBondContact O-CG 3.31Å; K116-Q120 PolarHBondContact O-N 3.36Å |
| 117 | E | 98.2 | Very high | 98.1 | Very high | 83 Ų | 83 | 104.4 Ų | 104.4 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 178.3 | -164.8 | -168.7 | -171.5 | 0 | 0 | 111.6 | L113 N114 V115 Q120 R121 | L113-E117 PolarHBondContact O-N 2.87Å; N114-E117 PolarHBondContact O-N 3.31Å; V115-E117 VanDerWaalsContact C-N 3.31Å; V115-E117 PolarHBondContact O-N 3.47Å; E117-Q120 WeakPolarHBondContact O-CB 3.49Å; E117-Q120 PolarHBondContact O-N 3.05Å; E117-R121 WeakPolarHBondContact O-CG 3.48Å; E117-R121 PolarHBondContact O-N 2.75Å; E117-R121 IonicContact OE1-CZ 3.09Å; E117-R121 IonicContact OE1-NH2 2.65Å; E117-R121 PolarHBondContact OE1-NH2 3.31Å; E117-R121 IonicContact OE2-CZ 3.46Å; E117-R121 IonicContact OE2-NH1 3.46Å; E117-R121 PolarHBondContact OE2-NH1 2.79Å; E117-R121 IonicContact OE2-NH2 2.68Å; E117-R121 PolarHBondContact OE2-NH2 2.76Å |
| 118 | Q | 98.4 | Very high | 98 | Very high | 86 Ų | 86 | 109 Ų | 109 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 176.4 | -179.8 | 58.2 | 18.4 | 0 | 0 | 111.6 | N114 V115 Q120 R121 E122 | N114-Q118 WeakPolarHBondContact O-CB 3.27Å; N114-Q118 PolarHBondContact O-N 3.1Å; V115-Q118 PolarHBondContact O-N 3.49Å; Q118-Q120 VanDerWaalsContact C-N 3.25Å; Q118-Q120 PolarHBondContact O-N 2.86Å; Q118-R121 WeakPolarHBondContact O-CB 3.47Å; Q118-R121 PolarHBondContact O-N 3.41Å; Q118-E122 PolarHBondContact NE2-OE1 3.06Å; Q118-E122 PolarHBondContact O-N 3.46Å |
| 119 | L | 98.4 | Very high | 97.8 | Very high | 100 Ų | 100 | 110.1 Ų | 110.1 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -35.5 | 176.3 | -70.2 | 173.7 | 0 | 0 | 0 | 112 | V115 K116 E122 H123 | V115-L119 HydrophobicContact CG1-CD1 3.95Å; V115-L119 HydrophobicContact CG1-CG 4.34Å; V115-L119 WeakPolarHBondContact O-CB 3.43Å; V115-L119 WeakPolarHBondContact O-CG 3.29Å; V115-L119 PolarHBondContact O-N 2.91Å; K116-L119 PolarHBondContact O-N 3.33Å; L119-E122 PolarHBondContact O-N 3.41Å; L119-H123 VanDerWaalsContact O-CB 3.28Å; L119-H123 WeakPolarHBondContact O-CB 3.19Å; L119-H123 PolarHBondContact O-N 3.19Å |
| 120 | Q | 98.3 | Very high | 97.7 | Very high | 92 Ų | 92 | 110.9 Ų | 110.9 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -37.5 | 173.9 | -76.7 | 178.8 | -10.9 | 0 | 0 | 112.5 | K116 E117 Q118 R124 | K116-Q120 WeakPolarHBondContact O-CB 3.4Å; K116-Q120 VanDerWaalsContact O-CG 3.25Å; K116-Q120 WeakPolarHBondContact O-CG 3.31Å; K116-Q120 PolarHBondContact O-N 3.36Å; E117-Q120 WeakPolarHBondContact O-CB 3.49Å; E117-Q120 PolarHBondContact O-N 3.05Å; Q118-Q120 VanDerWaalsContact C-N 3.25Å; Q118-Q120 PolarHBondContact O-N 2.86Å; Q120-R124 WeakPolarHBondContact O-CG 3.3Å; Q120-R124 PolarHBondContact O-N 3.42Å; Q120-R124 VanDerWaalsContact O-N 3.08Å |
| 121 | R | 98.1 | Very high | 97.4 | Very high | 104 Ų | 104 | 109.7 Ų | 109.7 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 173.4 | -68.3 | -178.3 | -169.3 | 110 | -2.8 | 110.9 | E117 Q118 R124 Y125 | E117-R121 WeakPolarHBondContact O-CG 3.48Å; E117-R121 PolarHBondContact O-N 2.75Å; E117-R121 IonicContact OE1-CZ 3.09Å; E117-R121 IonicContact OE1-NH2 2.65Å; E117-R121 PolarHBondContact OE1-NH2 3.31Å; E117-R121 IonicContact OE2-CZ 3.46Å; E117-R121 IonicContact OE2-NH1 3.46Å; E117-R121 PolarHBondContact OE2-NH1 2.79Å; E117-R121 IonicContact OE2-NH2 2.68Å; E117-R121 PolarHBondContact OE2-NH2 2.76Å; Q118-R121 WeakPolarHBondContact O-CB 3.47Å; Q118-R121 PolarHBondContact O-N 3.41Å; R121-R124 PolarHBondContact O-N 3.47Å; R121-Y125 PolarHBondContact O-N 3.46Å |
| 122 | E | 97.4 | Very high | 97.1 | Very high | 89 Ų | 89 | 109.3 Ų | 109.3 | 42% | 0.416 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 178 | -72.9 | 175.8 | -166.7 | 0 | 0 | 111.8 | Q118 L119 R124 Y125 L126 | Q118-E122 PolarHBondContact NE2-OE1 3.06Å; Q118-E122 PolarHBondContact O-N 3.46Å; L119-E122 PolarHBondContact O-N 3.41Å; E122-R124 VanDerWaalsContact C-N 3.3Å; E122-R124 PolarHBondContact O-N 3.44Å; E122-Y125 WeakPolarHBondContact O-CA 3.14Å; E122-Y125 WeakPolarHBondContact O-CB 3.41Å; E122-Y125 PolarHBondContact O-N 2.98Å; E122-L126 WeakPolarHBondContact O-CB 3.26Å; E122-L126 WeakPolarHBondContact O-CG 3.45Å; E122-L126 PolarHBondContact O-N 3.39Å |
| 123 | H | 97.9 | Very high | 96.8 | Very high | 130 Ų | 130 | 111.2 Ų | 111.2 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.2 | -43.6 | 175 | -179.7 | -91.9 | 0 | 0 | 0 | 111.7 | L119 K127 | L119-H123 VanDerWaalsContact O-CB 3.28Å; L119-H123 WeakPolarHBondContact O-CB 3.19Å; L119-H123 PolarHBondContact O-N 3.19Å; H123-K127 VanDerWaalsContact O-CB 3.25Å; H123-K127 WeakPolarHBondContact O-CB 3.33Å; H123-K127 PolarHBondContact O-N 3.46Å |
| 124 | R | 98.1 | Very high | 96.2 | Very high | 131 Ų | 131 | 109.2 Ų | 109.2 | 49% | 0.494 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 174.6 | -74 | -171.2 | -62.1 | -113.7 | 3.1 | 112.8 | Q120 R121 E122 R128 | Q120-R124 WeakPolarHBondContact O-CG 3.3Å; Q120-R124 PolarHBondContact O-N 3.42Å; Q120-R124 VanDerWaalsContact O-N 3.08Å; R121-R124 PolarHBondContact O-N 3.47Å; E122-R124 VanDerWaalsContact C-N 3.3Å; E122-R124 PolarHBondContact O-N 3.44Å; R124-R128 WeakPolarHBondContact O-CG 3.35Å; R124-R128 PolarHBondContact O-N 3.41Å; R124-R128 PolarHBondContact O-NE 3.1Å |
| 125 | Y | 97.7 | Very high | 95.2 | Very high | 138 Ų | 138 | 108.3 Ų | 108.3 | 54% | 0.541 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -53 | 176.6 | 171.6 | -98 | 0 | 0 | 0 | 111.3 | R121 E122 K127 R128 R129 | R121-Y125 PolarHBondContact O-N 3.46Å; E122-Y125 WeakPolarHBondContact O-CA 3.14Å; E122-Y125 WeakPolarHBondContact O-CB 3.41Å; E122-Y125 PolarHBondContact O-N 2.98Å; Y125-K127 VanDerWaalsContact C-N 3.31Å; Y125-K127 PolarHBondContact O-N 3.08Å; Y125-R128 PolarHBondContact O-N 3.42Å; Y125-R128 VanDerWaalsContact O-N 3.14Å; Y125-R129 PolarHBondContact O-N 3.49Å |
| 126 | L | 97.5 | Very high | 93.9 | Very high | 107 Ų | 107 | 107.9 Ų | 107.9 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.7 | -40 | 179.6 | -68.7 | 173.7 | 0 | 0 | 0 | 111.8 | E122 R128 R129 L130 | E122-L126 WeakPolarHBondContact O-CB 3.26Å; E122-L126 WeakPolarHBondContact O-CG 3.45Å; E122-L126 PolarHBondContact O-N 3.39Å; L126-R128 PolarHBondContact O-N 3.02Å; L126-R129 PolarHBondContact O-N 3.2Å; L126-L130 WeakPolarHBondContact O-CB 3.49Å; L126-L130 PolarHBondContact O-N 2.99Å |
| 127 | K | 96.8 | Very high | 92.2 | Very high | 141 Ų | 141 | 103.3 Ų | 103.3 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.3 | -45.5 | 174.9 | -173.6 | 176.6 | -179.2 | -179.1 | 0 | 112.2 | H123 Y125 L130 E131 | H123-K127 VanDerWaalsContact O-CB 3.25Å; H123-K127 WeakPolarHBondContact O-CB 3.33Å; H123-K127 PolarHBondContact O-N 3.46Å; Y125-K127 VanDerWaalsContact C-N 3.31Å; Y125-K127 PolarHBondContact O-N 3.08Å; K127-L130 PolarHBondContact O-N 3.13Å; K127-E131 PolarHBondContact O-N 2.88Å |
| 128 | R | 96.4 | Very high | 90.3 | Very high | 152 Ų | 152 | 101.5 Ų | 101.5 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -38.3 | 176 | -73.7 | -177.2 | -71.1 | -179.8 | 1.5 | 112.1 | R124 Y125 L126 E131 Q132 | R124-R128 WeakPolarHBondContact O-CG 3.35Å; R124-R128 PolarHBondContact O-N 3.41Å; R124-R128 PolarHBondContact O-NE 3.1Å; Y125-R128 PolarHBondContact O-N 3.42Å; Y125-R128 VanDerWaalsContact O-N 3.14Å; L126-R128 PolarHBondContact O-N 3.02Å; R128-E131 PolarHBondContact O-N 3.26Å; R128-Q132 WeakPolarHBondContact O-CG 3.41Å; R128-Q132 PolarHBondContact O-N 3.43Å |
| 129 | R | 95.1 | Very high | 88.3 | Confident | 120 Ų | 120 | 102 Ų | 102 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176.8 | -175 | 59 | 173.3 | 175.6 | -0.3 | 111.6 | Y125 L126 Q132 L133 | Y125-R129 PolarHBondContact O-N 3.49Å; L126-R129 PolarHBondContact O-N 3.2Å; R129-Q132 PolarHBondContact O-N 2.85Å; R129-L133 HydrophobicContact CG-CD1 4.37Å; R129-L133 WeakPolarHBondContact O-CG 3.39Å; R129-L133 PolarHBondContact O-N 3.49Å |
| 130 | L | 94.9 | Very high | 86.3 | Confident | 123 Ų | 123 | 105.1 Ų | 105.1 | 64% | 0.644 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 175.5 | -173.6 | 66.9 | 0 | 0 | 0 | 111.3 | L126 K127 L133 S134 | L126-L130 WeakPolarHBondContact O-CB 3.49Å; L126-L130 PolarHBondContact O-N 2.99Å; K127-L130 PolarHBondContact O-N 3.13Å; L130-L133 PolarHBondContact O-N 3.32Å; L130-S134 WeakPolarHBondContact O-CB 3.35Å; L130-S134 PolarHBondContact O-N 3.04Å; L130-S134 PolarHBondContact O-OG 3.3Å |
| 131 | E | 93.3 | Very high | 84.3 | Confident | 118 Ų | 118 | 109.8 Ų | 109.8 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.2 | -48.1 | 175.2 | -173.7 | 176.2 | -177.2 | 0 | 0 | 111.4 | K127 R128 L133 S134 V135 | K127-E131 PolarHBondContact O-N 2.88Å; R128-E131 PolarHBondContact O-N 3.26Å; E131-L133 PolarHBondContact O-N 2.96Å; E131-S134 WeakPolarHBondContact CA-OG 3.28Å; E131-S134 PolarHBondContact O-N 2.86Å; E131-S134 PolarHBondContact O-OG 3.48Å; E131-V135 VanDerWaalsContact O-CG2 3.32Å; E131-V135 WeakPolarHBondContact O-CG2 3.34Å; E131-V135 PolarHBondContact O-N 3.42Å |
| 132 | Q | 91.8 | Very high | 82.3 | Confident | 109 Ų | 109 | 111.2 Ų | 111.2 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -56.6 | -48.3 | 175.4 | -72.7 | 172.8 | -1.7 | 0 | 0 | 112.4 | R128 R129 S134 V135 S136 | R128-Q132 WeakPolarHBondContact O-CG 3.41Å; R128-Q132 PolarHBondContact O-N 3.43Å; R129-Q132 PolarHBondContact O-N 2.85Å; Q132-S134 VanDerWaalsContact C-N 3.33Å; Q132-S134 PolarHBondContact O-N 2.88Å; Q132-V135 PolarHBondContact O-N 2.9Å; Q132-S136 WeakPolarHBondContact O-CB 3.28Å; Q132-S136 PolarHBondContact O-N 2.88Å; Q132-S136 PolarHBondContact O-OG 3.32Å |
| 133 | L | 91.8 | Very high | 80.4 | Confident | 98 Ų | 98 | 117.2 Ų | 117.2 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.6 | -35.9 | 178.9 | -68.8 | 172.8 | 0 | 0 | 0 | 112 | R129 L130 E131 G137 | R129-L133 HydrophobicContact CG-CD1 4.37Å; R129-L133 WeakPolarHBondContact O-CG 3.39Å; R129-L133 PolarHBondContact O-N 3.49Å; L130-L133 PolarHBondContact O-N 3.32Å; E131-L133 PolarHBondContact O-N 2.96Å; L133-G137 PolarHBondContact O-N 2.89Å |
| 134 | S | 84.9 | Confident | 78.4 | Confident | 69 Ų | 69 | 117.1 Ų | 117.1 | 48% | 0.483 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68 | -37.5 | 175.7 | 76.5 | 0 | 0 | 0 | 0 | 112.7 | L130 E131 Q132 S138 | L130-S134 WeakPolarHBondContact O-CB 3.35Å; L130-S134 PolarHBondContact O-N 3.04Å; L130-S134 PolarHBondContact O-OG 3.3Å; E131-S134 WeakPolarHBondContact CA-OG 3.28Å; E131-S134 PolarHBondContact O-N 2.86Å; E131-S134 PolarHBondContact O-OG 3.48Å; Q132-S134 VanDerWaalsContact C-N 3.33Å; Q132-S134 PolarHBondContact O-N 2.88Å; S134-S138 VanDerWaalsContact O-CB 3.31Å; S134-S138 WeakPolarHBondContact O-CB 3.47Å; S134-S138 PolarHBondContact O-N 2.93Å; S134-S138 PolarHBondContact O-OG 3.26Å |
| 135 | V | 77.3 | Confident | 76.2 | Confident | 77 Ų | 77 | 117.6 Ų | 117.6 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72 | -46.4 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | E131 Q132 G137 S138 V139 | E131-V135 VanDerWaalsContact O-CG2 3.32Å; E131-V135 WeakPolarHBondContact O-CG2 3.34Å; E131-V135 PolarHBondContact O-N 3.42Å; Q132-V135 PolarHBondContact O-N 2.9Å; V135-G137 PolarHBondContact O-N 3.45Å; V135-S138 WeakPolarHBondContact CA-OG 3.17Å; V135-S138 PolarHBondContact O-N 2.98Å; V135-S138 PolarHBondContact O-OG 3.21Å; V135-V139 WeakPolarHBondContact O-CG2 3.22Å; V135-V139 PolarHBondContact O-N 2.88Å |
| 136 | S | 70.8 | Confident | 74.2 | Confident | 76 Ų | 76 | 116.3 Ų | 116.3 | 53% | 0.531 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61 | -45.6 | 175.4 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | Q132 S138 V139 E140 | Q132-S136 WeakPolarHBondContact O-CB 3.28Å; Q132-S136 PolarHBondContact O-N 2.88Å; Q132-S136 PolarHBondContact O-OG 3.32Å; S136-S138 VanDerWaalsContact C-N 3.29Å; S136-S138 PolarHBondContact O-N 2.69Å; S136-V139 PolarHBondContact O-N 2.82Å; S136-E140 WeakPolarHBondContact O-CB 3.35Å; S136-E140 PolarHBondContact O-N 3.38Å |
| 137 | G | 62.8 | Low | 72.4 | Confident | 27 Ų | 27 | 119.8 Ų | 119.8 | 28% | 0.278 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -74.8 | -10.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L133 V135 R141 | L133-G137 PolarHBondContact O-N 2.89Å; V135-G137 PolarHBondContact O-N 3.45Å; G137-R141 WeakPolarHBondContact O-CG 3.07Å; G137-R141 PolarHBondContact O-NE 2.78Å; G137-R141 VanDerWaalsContact O-NE 3.13Å |
| 138 | S | 57.8 | Low | 70.8 | Confident | 44 Ų | 44 | 116 Ų | 116 | 31% | 0.308 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -87.8 | -37.7 | 168.2 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | S134 V135 S136 E140 R141 I142 | S134-S138 VanDerWaalsContact O-CB 3.31Å; S134-S138 WeakPolarHBondContact O-CB 3.47Å; S134-S138 PolarHBondContact O-N 2.93Å; S134-S138 PolarHBondContact O-OG 3.26Å; V135-S138 WeakPolarHBondContact CA-OG 3.17Å; V135-S138 PolarHBondContact O-N 2.98Å; V135-S138 PolarHBondContact O-OG 3.21Å; S136-S138 VanDerWaalsContact C-N 3.29Å; S136-S138 PolarHBondContact O-N 2.69Å; S138-E140 VanDerWaalsContact C-N 3.34Å; S138-E140 PolarHBondContact O-N 2.89Å; S138-R141 PolarHBondContact O-N 3.46Å; S138-I142 WeakPolarHBondContact O-CD1 3.31Å; S138-I142 VanDerWaalsContact O-CG1 3.25Å; S138-I142 WeakPolarHBondContact O-CG1 3.4Å; S138-I142 PolarHBondContact O-N 3.4Å |
| 139 | V | 57.3 | Low | 68.7 | Low | 97 Ų | 97 | 114.9 Ų | 114.9 | 59% | 0.588 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.1 | -38.6 | 173.4 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | V135 S136 R141 I142 | V135-V139 WeakPolarHBondContact O-CG2 3.22Å; V135-V139 PolarHBondContact O-N 2.88Å; S136-V139 PolarHBondContact O-N 2.82Å; V139-R141 VanDerWaalsContact C-N 3.27Å; V139-R141 PolarHBondContact O-N 3.49Å; V139-I142 PolarHBondContact O-N 3.33Å |
| 140 | E | 55.4 | Low | 66.8 | Low | 166 Ų | 166 | 115.1 Ų | 115.1 | 78% | 0.776 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -24.8 | 179 | -143.7 | 166.8 | -157.9 | 0 | 0 | 113 | S136 S138 | S136-E140 WeakPolarHBondContact O-CB 3.35Å; S136-E140 PolarHBondContact O-N 3.38Å; S138-E140 VanDerWaalsContact C-N 3.34Å; S138-E140 PolarHBondContact O-N 2.89Å |
| 141 | R | 57.6 | Low | 64.7 | Low | 189 Ų | 189 | 116.6 Ų | 116.6 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -10.6 | 178.3 | -67.8 | -170.7 | -61.4 | 150.2 | 2.5 | 114.8 | G137 S138 V139 R143 | G137-R141 WeakPolarHBondContact O-CG 3.07Å; G137-R141 PolarHBondContact O-NE 2.78Å; G137-R141 VanDerWaalsContact O-NE 3.13Å; S138-R141 PolarHBondContact O-N 3.46Å; V139-R141 VanDerWaalsContact C-N 3.27Å; V139-R141 PolarHBondContact O-N 3.49Å; R141-R143 PolarHBondContact O-N 3.04Å |
| 142 | I | 55.4 | Low | 62.5 | Low | 135 Ų | 135 | 115.4 Ų | 115.4 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -79.9 | 3.5 | -178.7 | -70.2 | 162.8 | 0 | 0 | 0 | 112.7 | S138 V139 | S138-I142 WeakPolarHBondContact O-CD1 3.31Å; S138-I142 VanDerWaalsContact O-CG1 3.25Å; S138-I142 WeakPolarHBondContact O-CG1 3.4Å; S138-I142 PolarHBondContact O-N 3.4Å; V139-I142 PolarHBondContact O-N 3.33Å |
| 143 | R | 56.8 | Low | 60.5 | Low | 214 Ų | 214 | 116.1 Ų | 116.1 | 81% | 0.808 | 66% | 0.66 | S | S | * | * | trans | -109.9 | 73.5 | 170 | -59.7 | -175.7 | 108 | 158 | 4.2 | 110.4 | R141 | R141-R143 PolarHBondContact O-N 3.04Š| ||
| 144 | T | 56.3 | Low | 59.3 | Low | 129 Ų | 129 | 117.3 Ų | 117.3 | 79% | 0.791 | 67% | 0.667 | S | S | * | * | trans | -110.6 | 65 | 167.1 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 145 | D | 52.7 | Low | 57.9 | Low | 141 Ų | 141 | 119.4 Ų | 119.4 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | trans | -114.6 | 55.7 | 142.5 | 65.2 | -28.2 | 0 | 0 | 0 | 108.9 | M147 | D145-M147 VanDerWaalsContact C-N 3.28Å; D145-M147 PolarHBondContact O-N 2.81Å | ||
| 146 | S | 55.9 | Low | 57 | Low | 111 Ų | 111 | 124.1 Ų | 124.1 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | trans | -73.8 | 87.8 | 168.6 | -172 | 0 | 0 | 0 | 0 | 109 | ||||
| 147 | M | 59.1 | Low | 56.3 | Low | 180 Ų | 180 | 128.7 Ų | 128.7 | 89% | 0.887 | 71% | 0.711 | S | S | * | * | trans | -76.6 | 109.8 | 151.4 | -73.9 | -144.9 | 71.2 | 0 | 0 | 108.4 | D145 | D145-M147 VanDerWaalsContact C-N 3.28Å; D145-M147 PolarHBondContact O-N 2.81Å | ||
| 148 | G | 64.1 | Low | 55.9 | Low | 62 Ų | 62 | 136.8 Ų | 136.8 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | trans | 67.2 | 113.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 149 | S | 52 | Low | 56.1 | Low | 128 Ų | 128 | 140.3 Ų | 140.3 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | -160 | 141.5 | 124.8 | -86.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 150 | T | 55.2 | Low | 56 | Low | 125 Ų | 125 | 142.9 Ų | 142.9 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | -108.8 | 142.8 | -174.8 | 52.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 151 | I | 51.2 | Low | 56.1 | Low | 154 Ų | 154 | 142.3 Ų | 142.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 78.4 | 148.8 | 154 | 103.6 | 157.1 | 0 | 0 | 0 | 121.3 | ||||
| 152 | S | 47.3 | Very low | 56 | Low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | 81.5 | 132.7 | 159.4 | -69.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 153 | T | 49.9 | Very low | 55.8 | Low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | cis | -164 | 127.6 | 25.1 | -7.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 154 | D | 65.7 | Low | 55.9 | Low | 123 Ų | 123 | 135.8 Ų | 135.8 | 66% | 0.658 | 78% | 0.777 | S | S | * | * | 39.9 | 105.5 | 114.3 | -168.5 | 26.6 | 0 | 0 | 0 | 116.4 | |||||
| 155 | S | 54.5 | Low | 55.5 | Low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -171.7 | 96.2 | 146.2 | -80.2 | 0 | 0 | 0 | 0 | 108.6 | Q157 | S155-Q157 PolarHBondContact O-N 3.06Š| ||
| 156 | E | 59.8 | Low | 55.2 | Low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -63.7 | 104.8 | 162.9 | 27.6 | -162.3 | 139.3 | 0 | 0 | 109.1 | ||||
| 157 | Q | 56.5 | Low | 54.7 | Low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -122.9 | 95.4 | 164.1 | -95.8 | 177.8 | -15.7 | 0 | 0 | 108 | S155 V159 | S155-Q157 PolarHBondContact O-N 3.06Å; Q157-V159 PolarHBondContact O-N 3.47Å; Q157-V159 VanDerWaalsContact O-N 3.1Å | ||
| 158 | E | 54.4 | Low | 54.3 | Low | 197 Ų | 197 | 136 Ų | 136 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -62.6 | 103.3 | 160.2 | -60.6 | -168.4 | 157 | 0 | 0 | 107.5 | ||||
| 159 | V | 60.2 | Low | 53.3 | Low | 119 Ų | 119 | 135.9 Ų | 135.9 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | trans | -89.6 | 106.5 | 163.4 | -75.2 | 0 | 0 | 0 | 0 | 107.1 | Q157 I161 | Q157-V159 PolarHBondContact O-N 3.47Å; Q157-V159 VanDerWaalsContact O-N 3.1Å; V159-I161 PolarHBondContact O-N 3.15Å; V159-I161 VanDerWaalsContact O-N 3.14Å | ||
| 160 | D | 55.5 | Low | 53.4 | Low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -59.5 | 110.7 | 171.3 | -148.3 | -1.1 | 0 | 0 | 0 | 107.9 | E162 | D160-E162 PolarHBondContact O-N 2.76Š| ||
| 161 | I | 58.6 | Low | 53.3 | Low | 153 Ų | 153 | 139.5 Ų | 139.5 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -82 | 81.5 | 173.3 | -61.2 | 173.3 | 0 | 0 | 0 | 105.6 | V159 G163 | V159-I161 PolarHBondContact O-N 3.15Å; V159-I161 VanDerWaalsContact O-N 3.14Å; I161-G163 PolarHBondContact O-N 3.03Å | ||
| 162 | E | 54.8 | Low | 52.9 | Low | 174 Ų | 174 | 138.2 Ų | 138.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -59 | 125.3 | 165.2 | -105.2 | -174.5 | 164.2 | 0 | 0 | 108.4 | D160 M164 | D160-E162 PolarHBondContact O-N 2.76Å; E162-M164 PolarHBondContact O-N 3.35Å | ||
| 163 | G | 52.3 | Low | 53.2 | Low | 68 Ų | 68 | 139.3 Ų | 139.3 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -58.7 | 122.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I161 E165 | I161-G163 PolarHBondContact O-N 3.03Å; G163-E165 PolarHBondContact O-N 2.93Å | ||
| 164 | M | 57.2 | Low | 53.3 | Low | 159 Ų | 159 | 139.4 Ų | 139.4 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -69.6 | 84.9 | 160.4 | -161.5 | 86.7 | -176.6 | 0 | 0 | 107.9 | E162 F166 | E162-M164 PolarHBondContact O-N 3.35Å; M164-F166 HydrophobicContact CG-CD2 3.94Å; M164-F166 HydrophobicContact CG-CE2 3.72Å; M164-F166 PolarHBondContact O-N 2.83Å; M164-F166 VanDerWaalsContact O-N 3.07Å | ||
| 165 | E | 48 | Very low | 52 | Low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -64.3 | 98.7 | 166.7 | -173.8 | -179 | 178.6 | 0 | 0 | 108.2 | G163 T167 | G163-E165 PolarHBondContact O-N 2.93Å; E165-T167 VanDerWaalsContact C-N 3.29Å; E165-T167 HydrophobicContact CG-CG2 3.98Å; E165-T167 PolarHBondContact O-N 3.34Å | ||
| 166 | F | 46.1 | Very low | 52 | Low | 179 Ų | 179 | 140 Ų | 140 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -75.4 | 86.8 | 166.9 | -92.2 | -90.4 | 0 | 0 | 0 | 108.9 | M164 | M164-F166 HydrophobicContact CG-CD2 3.94Å; M164-F166 HydrophobicContact CG-CE2 3.72Å; M164-F166 PolarHBondContact O-N 2.83Å; M164-F166 VanDerWaalsContact O-N 3.07Å | ||
| 167 | T | 46.7 | Very low | 51.2 | Low | 93 Ų | 93 | 139.2 Ų | 139.2 | 57% | 0.571 | 77% | 0.765 | S | S | * | * | trans | -70.6 | 126.5 | 156.4 | 59.9 | 0 | 0 | 0 | 0 | 108.2 | E165 G169 | E165-T167 VanDerWaalsContact C-N 3.29Å; E165-T167 HydrophobicContact CG-CG2 3.98Å; E165-T167 PolarHBondContact O-N 3.34Å; T167-G169 VanDerWaalsContact C-N 3.32Å; T167-G169 PolarHBondContact O-N 2.87Å | ||
| 168 | P | 49.7 | Very low | 50.5 | Low | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -74.3 | 91.6 | 170.7 | 29.6 | -29.1 | 0 | 0 | 0 | 108.2 | E170 | P168-E170 PolarHBondContact O-N 3.32Š| ||
| 169 | G | 42.7 | Very low | 49.7 | Very low | 61 Ų | 61 | 133.7 Ų | 133.7 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | -74.4 | 108.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | T167 V171 | T167-G169 VanDerWaalsContact C-N 3.32Å; T167-G169 PolarHBondContact O-N 2.87Å; G169-V171 PolarHBondContact O-N 3.05Å; G169-V171 VanDerWaalsContact O-N 3.16Å | ||
| 170 | E | 54.3 | Low | 48.9 | Very low | 196 Ų | 196 | 130.8 Ų | 130.8 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | trans | -57.7 | 111.7 | 164.3 | -61.9 | -169.4 | 120.2 | 0 | 0 | 108.5 | P168 | P168-E170 PolarHBondContact O-N 3.32Š| ||
| 171 | V | 53.4 | Low | 48.1 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | -100.7 | 93.4 | 164.4 | -71.9 | 0 | 0 | 0 | 0 | 107.8 | G169 | G169-V171 PolarHBondContact O-N 3.05Å; G169-V171 VanDerWaalsContact O-N 3.16Å | ||
| 172 | D | 44.3 | Very low | 47.6 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | trans | -54.7 | 130.3 | 155.2 | -169.1 | 18.8 | 0 | 0 | 0 | 108.9 | ||||
| 173 | S | 53.4 | Low | 46.8 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -130.3 | 77.2 | 171.2 | -75.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 174 | I | 50.6 | Low | 46.5 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 65% | 0.646 | 77% | 0.772 | S | S | * | * | trans | -74.5 | 117.5 | 161 | 55.4 | 154.3 | 0 | 0 | 0 | 108.4 | ||||
| 175 | D | 38.6 | Very low | 45.6 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -94.9 | 114.4 | 161.6 | -163.1 | 19.5 | 0 | 0 | 0 | 106.9 | ||||
| 176 | S | 54.6 | Low | 45.4 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -95 | 117.8 | 179.3 | -68.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 177 | I | 42.7 | Very low | 45.1 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | trans | -131.1 | 126.3 | 147 | 68.6 | 161.1 | 0 | 0 | 0 | 110.2 | ||||
| 178 | S | 43 | Very low | 44.9 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -53 | 163.8 | 161.5 | -141.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 179 | D | 38 | Very low | 44.2 | Very low | 148 Ų | 148 | 145 Ų | 145 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | cis | -167.7 | 136.9 | 22.8 | -160.1 | 8.3 | 0 | 0 | 0 | 102.8 | ||||
| 180 | G | 42.8 | Very low | 44.2 | Very low | 57 Ų | 57 | 149.4 Ų | 149.4 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | 60.4 | 91.3 | 101.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 181 | E | 38.1 | Very low | 43.7 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | trans | 175.6 | 128.3 | 132.7 | -92.5 | 168 | -154.7 | 0 | 0 | 111 | ||||
| 182 | E | 48.3 | Very low | 43.2 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -60.8 | 134.7 | 164.4 | -56.3 | 170.3 | 165.4 | 0 | 0 | 107.8 | ||||
| 183 | E | 39 | Very low | 43.4 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -160.4 | 137.2 | 137.6 | -73.2 | -142.3 | 160 | 0 | 0 | 109.1 | ||||
| 184 | E | 45 | Very low | 42.7 | Very low | 185 Ų | 185 | 152.6 Ų | 152.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -54.5 | 153.3 | 162.9 | -54.4 | -179.7 | 159.4 | 0 | 0 | 109.3 | ||||
| 185 | E | 39.1 | Very low | 42.3 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -178.8 | 143.2 | 134.6 | -79.1 | -125.9 | 157.9 | 0 | 0 | 110.1 | ||||
| 186 | E | 43 | Very low | 42.4 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | -87.9 | 177.1 | -174.2 | -54.9 | -165.3 | 140.2 | 0 | 0 | 112.1 | ||||
| 187 | E | 39.3 | Very low | 41.7 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | 70.2 | 147.5 | 157.6 | -58.1 | -63.4 | 164.7 | 0 | 0 | 115.7 | ||||
| 188 | E | 43.6 | Very low | 41.8 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 60% | 0.603 | 80% | 0.799 | S | S | * | * | cis | -177.2 | 123.2 | -4.1 | -176.3 | 177.4 | -146.8 | 0 | 0 | 104 | H190 | E188-H190 IonicContact OE1-NE2 3.95Å; E188-H190 PolarHBondContact OE1-NE2 3.29Å | ||
| 189 | D | 35.5 | Very low | 42.3 | Very low | 166 Ų | 166 | 151 Ų | 151 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -108.9 | 94.2 | 175.5 | -89.9 | -24.4 | 0 | 0 | 0 | 110.8 | ||||
| 190 | H | 42.6 | Very low | 42.7 | Very low | 155 Ų | 155 | 150 Ų | 150 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | trans | -76.4 | 113.8 | 163.7 | -80.3 | -49.9 | 0 | 0 | 0 | 110.8 | E188 | E188-H190 IonicContact OE1-NE2 3.95Å; E188-H190 PolarHBondContact OE1-NE2 3.29Å | ||
| 191 | Y | 42.8 | Very low | 43 | Very low | 221 Ų | 221 | 152.4 Ų | 152.4 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -77.9 | 128.3 | 165.9 | 56.7 | -81.9 | 0 | 0 | 0 | 109.8 | ||||
| 192 | G | 44 | Very low | 43.4 | Very low | 75 Ų | 75 | 152.5 Ų | 152.5 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -174.4 | 63.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 193 | V | 46.6 | Very low | 43.3 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -68.9 | 124.9 | 162.1 | -77.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 194 | Q | 38.8 | Very low | 43.4 | Very low | 199 Ų | 199 | 145.3 Ų | 145.3 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -170.6 | 120.7 | 142.3 | -105.7 | 166.5 | 2.2 | 0 | 0 | 111.1 | ||||
| 195 | S | 42.5 | Very low | 43.3 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -77.5 | 159.8 | 178.4 | -55.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 196 | S | 40.5 | Very low | 43.6 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | 106.5 | 108.2 | 136.5 | -151.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 197 | S | 40.8 | Very low | 43.6 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | 65.5 | 116.3 | 126.7 | 72.8 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 198 | S | 44 | Very low | 43.8 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | 157.7 | 144.2 | 95.3 | -79.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 199 | D | 53.7 | Low | 43.7 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -54.7 | 145.1 | -179.8 | -63.2 | -71.9 | 0 | 0 | 0 | 115.6 | ||||
| 200 | T | 47.5 | Very low | 44.3 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -160.8 | 122.7 | 135.2 | -172 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 201 | S | 49 | Very low | 44.4 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -69 | 140.4 | 170.5 | -41.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 202 | Y | 44.8 | Very low | 45.1 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | -179.3 | 131 | 125.3 | 64 | -92.8 | 0 | 0 | 0 | 112.8 | |||||
| 203 | T | 46.6 | Very low | 45 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | trans | 6.7 | 134.6 | 148 | 63.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 204 | A | 41.6 | Very low | 44.8 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | -177.1 | 133 | 117.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 205 | A | 42.9 | Very low | 45.1 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -69 | 151.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 206 | H | 44.6 | Very low | 45.2 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | -160.3 | 125.9 | 127.2 | -119.4 | -53.6 | 0 | 0 | 0 | 113.4 | |||||
| 207 | S | 44.3 | Very low | 45.5 | Very low | 89 Ų | 89 | 147.6 Ų | 147.6 | 62% | 0.622 | 81% | 0.814 | S | S | * | * | trans | -67.5 | 172.2 | 174.9 | -51.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 208 | H | 42.3 | Very low | 45.7 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | trans | 88.6 | 132.1 | 168.3 | -53.2 | -76.1 | 0 | 0 | 0 | 113.8 | ||||
| 209 | R | 43.1 | Very low | 45.8 | Very low | 239 Ų | 239 | 152.6 Ų | 152.6 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | cis | -165.5 | 137.5 | 31.7 | -170.7 | 171 | -164.5 | 162.4 | 5 | 111.2 | ||||
| 210 | L | 46.5 | Very low | 45.3 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | -70.1 | 138.9 | 163.9 | -68.2 | 159.9 | 0 | 0 | 0 | 110.8 | ||||
| 211 | Q | 45.3 | Very low | 45.2 | Very low | 183 Ų | 183 | 153.5 Ų | 153.5 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | 176.9 | 154.1 | 121.7 | -86.5 | -111.8 | 7.7 | 0 | 0 | 112.5 | |||||
| 212 | P | 57 | Low | 44.9 | Very low | 86 Ų | 86 | 156.9 Ų | 156.9 | 56% | 0.558 | 83% | 0.828 | S | S | * | * | trans | -118 | 178.3 | -163.4 | 28 | -4.7 | 0 | 0 | 0 | 114.5 | ||||
| 213 | H | 42.2 | Very low | 44.9 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 78% | 0.782 | 83% | 0.831 | S | S | * | * | trans | 77 | 132.2 | 159.7 | -62.5 | -69.3 | 0 | 0 | 0 | 121.2 | ||||
| 214 | H | 42.3 | Very low | 44.8 | Very low | 186 Ų | 186 | 155.8 Ų | 155.8 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | trans | 145.5 | 124.7 | 143.9 | -82.6 | 82.4 | 0 | 0 | 0 | 107 | ||||
| 215 | C | 45.2 | Very low | 45.1 | Very low | 194 Ų | 194 | 160.5 Ų | 160.5 | 100% | 1.311 | 84% | 0.835 | S | S | * | * | cis | -137.3 | 0 | 14.5 | -73.2 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 215 of 215 residues in 208.1 ms
(Link to these results)