| 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 | 35.4 | Very low | 35.5 | Very low | 225 Ų | 225 | 147.1 Ų | 147.1 | 100% | 1.108 | 80% | 0.795 | S | S | * | * | 0 | 125.3 | 0 | -68.4 | 172.6 | -107.5 | 0 | 0 | 106.3 | |||||
| 2 | I | 35.9 | Very low | 35.4 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | trans | -145.8 | 26.8 | -161.3 | -162.3 | 163.9 | 0 | 0 | 0 | 112.3 | ||||
| 3 | C | 38 | Very low | 35.3 | Very low | 95 Ų | 95 | 148.2 Ų | 148.2 | 64% | 0.642 | 80% | 0.797 | S | S | * | * | trans | -119.9 | -23.2 | -166.5 | -55.9 | 0 | 0 | 0 | 0 | 114.8 | V5 | C3-V5 PolarHBondContact O-N 3.29Å; C3-V5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | D | 36 | Very low | 35.1 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -85.9 | 27 | -173.7 | -55 | -38.5 | 0 | 0 | 0 | 113.7 | ||
| 5 | V | 39 | Very low | 35.2 | Very low | 137 Ų | 137 | 137 Ų | 137 | 83% | 0.83 | 76% | 0.76 | S | S | * | * | trans | -124.6 | 62.8 | 166.1 | -169.7 | 0 | 0 | 0 | 0 | 108.7 | C3 | C3-V5 PolarHBondContact O-N 3.29Å; C3-V5 VanDerWaalsContact O-N 3.08Å | ||
| 6 | M | 32.6 | Very low | 35.2 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | -95.5 | 115 | 153.1 | -95.4 | -152.5 | 70 | 0 | 0 | 108.6 | T8 | M6-T8 PolarHBondContact O-N 2.69Å; M6-T8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | P | 34 | Very low | 35.2 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | trans | -72.6 | 104.3 | 167 | 29.7 | -30.9 | 0 | 0 | 0 | 108.5 | I9 | P7-I9 VanDerWaalsContact C-N 3.28Å; P7-I9 PolarHBondContact O-N 2.97Å | ||
| 8 | T | 34.8 | Very low | 35.2 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -67.3 | 94.9 | 159.9 | 42 | 0 | 0 | 0 | 0 | 108.1 | M6 | M6-T8 PolarHBondContact O-N 2.69Å; M6-T8 VanDerWaalsContact O-N 3.14Å | ||
| 9 | I | 36 | Very low | 35.2 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 72% | 0.718 | 71% | 0.711 | S | S | * | * | trans | -52.3 | 141 | 172 | -65 | 162.4 | 0 | 0 | 0 | 109.1 | P7 E11 | P7-I9 VanDerWaalsContact C-N 3.28Å; P7-I9 PolarHBondContact O-N 2.97Å; I9-E11 PolarHBondContact O-N 2.91Å | ||
| 10 | N | 34.5 | Very low | 35.1 | Very low | 137 Ų | 137 | 130 Ų | 130 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | trans | -65.1 | 96.3 | 179.6 | -68.3 | 11.8 | 0 | 0 | 0 | 111.6 | D12 | N10-D12 VanDerWaalsContact C-N 3.3Å; N10-D12 PolarHBondContact O-N 3.14Å | ||
| 11 | E | 34.7 | Very low | 35.2 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | trans | -89.6 | 62.8 | 166.4 | -67.2 | -160.3 | 151.1 | 0 | 0 | 111.6 | I9 | I9-E11 PolarHBondContact O-N 2.91Š| ||
| 12 | D | 33.9 | Very low | 35.2 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 84% | 0.84 | 69% | 0.69 | S | S | * | * | trans | -151.9 | 57.1 | 154.7 | -133.3 | -13.7 | 0 | 0 | 0 | 111.8 | N10 | N10-D12 VanDerWaalsContact C-N 3.3Å; N10-D12 PolarHBondContact O-N 3.14Å | ||
| 13 | I | 33.7 | Very low | 35.2 | Very low | 152 Ų | 152 | 122.4 Ų | 122.4 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | trans | -108.2 | 100.3 | 164.3 | -62.8 | 178.5 | 0 | 0 | 0 | 106.6 | ||||
| 14 | G | 32.2 | Very low | 34.9 | Very low | 42 Ų | 42 | 123.2 Ų | 123.2 | 43% | 0.433 | 69% | 0.693 | S | S | . | * | trans | -153.5 | 4.1 | -163 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 15 | S | 37.4 | Very low | 34.9 | Very low | 86 Ų | 86 | 120.4 Ų | 120.4 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | trans | -159.3 | 140.4 | 158.8 | -82.8 | 0 | 0 | 0 | 0 | 112 | A1080 | S15-A1080 WeakPolarHBondContact OG-CB 3.38Š| ||
| 16 | Q | 35.4 | Very low | 34.7 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 40% | 0.402 | 69% | 0.691 | S | S | . | * | cis | 168.3 | 74.2 | 19.1 | -27.8 | 157.7 | 10.5 | 0 | 0 | 116.6 | D1083 | Q16-D1083 VanDerWaalsContact CD-OD1 3.23Å; Q16-D1083 HydrophobicContact CG-CB 4.17Å; Q16-D1083 VanDerWaalsContact CG-OD1 3.24Å; Q16-D1083 WeakPolarHBondContact CG-OD1 3.47Å; Q16-D1083 PolarHBondContact NE2-OD1 3.35Å | ||
| 17 | G | 34.5 | Very low | 35 | Very low | 54 Ų | 54 | 117.6 Ų | 117.6 | 56% | 0.557 | 69% | 0.694 | S | S | * | * | trans | 132.5 | 142.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | N1082 D1083 | G17-N1082 WeakPolarHBondContact CA-O 3.4Å; G17-D1083 CarbonylContact C-O 3.6Å; G17-D1083 VanDerWaalsContact C-O 3.24Å; G17-D1083 WeakPolarHBondContact CA-O 3.33Å; G17-D1083 PolarHBondContact N-O 3.14Å | ||
| 18 | D | 36 | Very low | 35.6 | Very low | 91 Ų | 91 | 118.5 Ų | 118.5 | 49% | 0.487 | 70% | 0.698 | S | S | . | * | cis | -160.6 | -177.8 | -22.8 | -156.7 | -2.5 | 0 | 0 | 0 | 110.2 | N1082 P1084 | D18-N1082 VanDerWaalsContact CG-O 3.28Å; D18-P1084 CarbonylContact C-O 3.52Å; D18-P1084 VanDerWaalsContact C-O 3.26Å | ||
| 19 | R | 34.8 | Very low | 36.3 | Very low | 176 Ų | 176 | 115.1 Ų | 115.1 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | trans | -90.6 | 158.6 | -155.5 | -58.9 | 149.8 | 171 | -170.3 | -2.6 | 119.3 | P1084 | R19-P1084 WeakPolarHBondContact CA-O 3.47Å; R19-P1084 PolarHBondContact N-O 2.98Å | ||
| 20 | D | 33.1 | Very low | 37.4 | Very low | 137 Ų | 137 | 113.5 Ų | 113.5 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | -130.4 | 132.2 | 127 | -109.5 | -34.5 | 0 | 0 | 0 | 108.1 | |||||
| 21 | S | 37 | Very low | 39.4 | Very low | 80 Ų | 80 | 113 Ų | 113 | 56% | 0.559 | 67% | 0.665 | S | S | * | * | cis | 77.2 | 137.9 | 26.3 | 121.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 22 | L | 35.7 | Very low | 41.2 | Very low | 153 Ų | 153 | 108.1 Ų | 108.1 | 80% | 0.801 | 64% | 0.644 | S | S | * | * | cis | -156.5 | 169.2 | 8.4 | -159.8 | 70.5 | 0 | 0 | 0 | 111.6 | ||||
| 23 | V | 36.1 | Very low | 43 | Very low | 122 Ų | 122 | 106.7 Ų | 106.7 | 74% | 0.739 | 63% | 0.634 | S | S | * | * | trans | 66.4 | 101.8 | 162.2 | -164.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 24 | S | 31.4 | Very low | 45.1 | Very low | 112 Ų | 112 | 104 Ų | 104 | 78% | 0.783 | 62% | 0.621 | S | S | * | * | -171.8 | 157.1 | 116.9 | -80.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 25 | A | 35.2 | Very low | 47.3 | Very low | 93 Ų | 93 | 106.3 Ų | 106.3 | 77% | 0.769 | 62% | 0.623 | S | S | * | * | trans | 64.9 | 103.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 26 | D | 36.5 | Very low | 49.1 | Very low | 153 Ų | 153 | 105.8 Ų | 105.8 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | trans | -69.2 | 148.7 | 172.9 | -53 | -89.7 | 0 | 0 | 0 | 114 | T28 | D26-T28 VanDerWaalsContact C-N 3.32Å; D26-T28 PolarHBondContact O-N 3.42Å | ||
| 27 | G | 37.1 | Very low | 50.6 | Low | 81 Ų | 81 | 107.8 Ų | 107.8 | 84% | 0.835 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 75.2 | -13.7 | 137.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 28 | T | 47.9 | Very low | 52.8 | Low | 119 Ų | 119 | 109.1 Ų | 109.1 | 73% | 0.73 | 62% | 0.624 | S | S | * | * | trans | -110 | 127.9 | -176.8 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | D26 | D26-T28 VanDerWaalsContact C-N 3.32Å; D26-T28 PolarHBondContact O-N 3.42Å | ||
| 29 | N | 48.9 | Very low | 55 | Low | 58 Ų | 58 | 109.9 Ų | 109.9 | 31% | 0.31 | 63% | 0.628 | S | S | . | * | cis | -151.8 | 139.2 | -24.6 | -172.7 | -4 | 0 | 0 | 0 | 105.8 | E31 D32 M33 | N29-E31 PolarHBondContact ND2-OE2 3.44Å; N29-E31 PolarHBondContact O-N 3.01Å; N29-E31 WeakPolarHBondContact OD1-CG 3.03Å; N29-E31 PolarHBondContact OD1-N 2.95Å; N29-E31 VanDerWaalsContact OD1-N 3.17Å; N29-D32 HydrophobicContact CB-CB 3.96Å; N29-D32 VanDerWaalsContact CB-CG 3.48Å; N29-D32 VanDerWaalsContact CB-OD2 3.26Å; N29-D32 WeakPolarHBondContact CB-OD2 3.31Å; N29-D32 PolarHBondContact O-N 2.91Å; N29-D32 VanDerWaalsContact O-N 3.15Å; N29-M33 PolarHBondContact O-N 2.93Å | ||
| 30 | V | 59.6 | Low | 57.2 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.3 | -30.1 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 110 | D32 M33 L34 | V30-D32 VanDerWaalsContact C-N 3.35Å; V30-M33 PolarHBondContact O-N 3.25Å; V30-L34 HydrophobicContact CG1-CD1 4.08Å; V30-L34 HydrophobicContact CG1-CG 4.45Å; V30-L34 WeakPolarHBondContact O-CB 3.5Å; V30-L34 VanDerWaalsContact O-CG 3.31Å; V30-L34 WeakPolarHBondContact O-CG 3.41Å; V30-L34 PolarHBondContact O-N 3.1Å |
| 31 | E | 75.4 | Confident | 59.7 | Low | 128 Ų | 128 | 105.7 Ų | 105.7 | 60% | 0.598 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.9 | -35.3 | 173 | -50.2 | 171 | 143.6 | 0 | 0 | 111.9 | N29 L34 L35 | N29-E31 PolarHBondContact ND2-OE2 3.44Å; N29-E31 PolarHBondContact O-N 3.01Å; N29-E31 WeakPolarHBondContact OD1-CG 3.03Å; N29-E31 PolarHBondContact OD1-N 2.95Å; N29-E31 VanDerWaalsContact OD1-N 3.17Å; E31-L34 CarbonylContact O-C 3.55Å; E31-L34 PolarHBondContact O-N 2.94Å; E31-L35 VanDerWaalsContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 WeakPolarHBondContact O-CD1 3.33Å; E31-L35 VanDerWaalsContact O-CG 3.24Å; E31-L35 WeakPolarHBondContact O-CG 3.4Å; E31-L35 PolarHBondContact O-N 3.33Å |
| 32 | D | 74.3 | Confident | 62 | Low | 85 Ų | 85 | 105.7 Ų | 105.7 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.2 | -36.7 | 179.1 | -66.8 | -16.4 | 0 | 0 | 0 | 111.7 | N29 V30 L35 S36 | N29-D32 HydrophobicContact CB-CB 3.96Å; N29-D32 VanDerWaalsContact CB-CG 3.48Å; N29-D32 VanDerWaalsContact CB-OD2 3.26Å; N29-D32 WeakPolarHBondContact CB-OD2 3.31Å; N29-D32 PolarHBondContact O-N 2.91Å; N29-D32 VanDerWaalsContact O-N 3.15Å; V30-D32 VanDerWaalsContact C-N 3.35Å; D32-L35 PolarHBondContact O-N 3.35Å; D32-S36 WeakPolarHBondContact O-CB 3.39Å; D32-S36 PolarHBondContact O-N 3.1Å |
| 33 | M | 71.8 | Confident | 64.4 | Low | 127 Ų | 127 | 106.3 Ų | 106.3 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.9 | -36.6 | 174 | -171.5 | 165.5 | 63.5 | 0 | 0 | 111.6 | N29 V30 S36 M37 | N29-M33 PolarHBondContact O-N 2.93Å; V30-M33 PolarHBondContact O-N 3.25Å; M33-S36 PolarHBondContact O-N 2.97Å; M33-M37 WeakPolarHBondContact O-CB 3.43Å; M33-M37 WeakPolarHBondContact O-CG 3.37Å; M33-M37 PolarHBondContact O-N 2.93Å |
| 34 | L | 76.5 | Confident | 66.6 | Low | 97 Ų | 97 | 106.1 Ų | 106.1 | 51% | 0.508 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.8 | -38 | 171.1 | -73.8 | 169.9 | 0 | 0 | 0 | 111.8 | V30 E31 M37 L38 | V30-L34 HydrophobicContact CG1-CD1 4.08Å; V30-L34 HydrophobicContact CG1-CG 4.45Å; V30-L34 WeakPolarHBondContact O-CB 3.5Å; V30-L34 VanDerWaalsContact O-CG 3.31Å; V30-L34 WeakPolarHBondContact O-CG 3.41Å; V30-L34 PolarHBondContact O-N 3.1Å; E31-L34 CarbonylContact O-C 3.55Å; E31-L34 PolarHBondContact O-N 2.94Å; L34-M37 PolarHBondContact O-N 2.9Å; L34-L38 WeakPolarHBondContact O-CB 3.44Å; L34-L38 VanDerWaalsContact O-CG 3.23Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 3.42Å |
| 35 | L | 78.4 | Confident | 68.9 | Low | 89 Ų | 89 | 106 Ų | 106 | 47% | 0.466 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.3 | -49.6 | 172 | -81.8 | 162.2 | 0 | 0 | 0 | 110.5 | E31 D32 M37 L38 D39 | E31-L35 VanDerWaalsContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 WeakPolarHBondContact O-CD1 3.33Å; E31-L35 VanDerWaalsContact O-CG 3.24Å; E31-L35 WeakPolarHBondContact O-CG 3.4Å; E31-L35 PolarHBondContact O-N 3.33Å; D32-L35 PolarHBondContact O-N 3.35Å; L35-M37 VanDerWaalsContact C-N 3.25Å; L35-M37 PolarHBondContact O-N 3.43Å; L35-L38 CarbonylContact O-C 3.59Å; L35-L38 WeakPolarHBondContact O-CA 3.41Å; L35-L38 PolarHBondContact O-N 3.36Å; L35-D39 WeakPolarHBondContact O-CB 3.32Å; L35-D39 PolarHBondContact O-N 2.89Å |
| 36 | S | 76.1 | Confident | 71.3 | Confident | 75 Ų | 75 | 105.5 Ų | 105.5 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.9 | -32.9 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 113.1 | D32 M33 E40 | D32-S36 WeakPolarHBondContact O-CB 3.39Å; D32-S36 PolarHBondContact O-N 3.1Å; M33-S36 PolarHBondContact O-N 2.97Å; S36-E40 WeakPolarHBondContact O-CB 3.5Å; S36-E40 PolarHBondContact O-N 2.98Å; S36-E40 VanDerWaalsContact O-N 3.09Å |
| 37 | M | 65.6 | Low | 73.4 | Confident | 128 Ų | 128 | 99.8 Ų | 99.8 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -74.2 | -33 | 173 | -74.2 | -176.5 | 70.6 | 0 | 0 | 112.7 | M33 L34 L35 R41 | M33-M37 WeakPolarHBondContact O-CB 3.43Å; M33-M37 WeakPolarHBondContact O-CG 3.37Å; M33-M37 PolarHBondContact O-N 2.93Å; L34-M37 PolarHBondContact O-N 2.9Å; L35-M37 VanDerWaalsContact C-N 3.25Å; L35-M37 PolarHBondContact O-N 3.43Å; M37-R41 WeakPolarHBondContact O-CB 3.32Å; M37-R41 PolarHBondContact O-N 3.14Å |
| 38 | L | 80.6 | Confident | 75.4 | Confident | 83 Ų | 83 | 100.2 Ų | 100.2 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.1 | -41.1 | 173.7 | -74.7 | 165.8 | 0 | 0 | 0 | 111.4 | L34 L35 R41 D42 | L34-L38 WeakPolarHBondContact O-CB 3.44Å; L34-L38 VanDerWaalsContact O-CG 3.23Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 3.42Å; L35-L38 CarbonylContact O-C 3.59Å; L35-L38 WeakPolarHBondContact O-CA 3.41Å; L35-L38 PolarHBondContact O-N 3.36Å; L38-R41 WeakPolarHBondContact O-CB 3.19Å; L38-R41 PolarHBondContact O-N 2.96Å; L38-D42 VanDerWaalsContact O-CB 3.3Å; L38-D42 WeakPolarHBondContact O-CB 3.48Å; L38-D42 VanDerWaalsContact O-CG 3.26Å; L38-D42 PolarHBondContact O-N 2.86Å |
| 39 | D | 83.1 | Confident | 77.2 | Confident | 107 Ų | 107 | 100.3 Ų | 100.3 | 57% | 0.572 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -46.7 | 175.6 | -73.7 | -23.1 | 0 | 0 | 0 | 111 | L35 D42 R43 | L35-D39 WeakPolarHBondContact O-CB 3.32Å; L35-D39 PolarHBondContact O-N 2.89Å; D39-D42 PolarHBondContact O-N 3.44Å; D39-R43 WeakPolarHBondContact O-CB 3.26Å; D39-R43 PolarHBondContact O-N 3.5Å |
| 40 | E | 81.1 | Confident | 78.9 | Confident | 83 Ų | 83 | 102.8 Ų | 102.8 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.6 | -33.2 | 176.7 | -167.9 | 65.3 | -168 | 0 | 0 | 111.5 | S36 R43 L44 | S36-E40 WeakPolarHBondContact O-CB 3.5Å; S36-E40 PolarHBondContact O-N 2.98Å; S36-E40 VanDerWaalsContact O-N 3.09Å; E40-R43 VanDerWaalsContact CD-NH1 3.27Å; E40-R43 IonicContact OE1-CZ 3.52Å; E40-R43 IonicContact OE1-NH1 2.78Å; E40-R43 PolarHBondContact OE1-NH1 3.3Å; E40-R43 WeakPolarHBondContact OE2-CD 3.23Å; E40-R43 IonicContact OE2-CZ 3.79Å; E40-R43 IonicContact OE2-NH1 3.37Å; E40-R43 PolarHBondContact OE2-NH1 2.81Å; E40-L44 HydrophobicContact CG-CD1 4.41Å; E40-L44 WeakPolarHBondContact O-CB 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 3.14Å |
| 41 | R | 84.4 | Confident | 79.6 | Confident | 142 Ų | 142 | 100.8 Ų | 100.8 | 54% | 0.536 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 169.6 | -175 | -155.4 | 77.4 | 147.3 | -0.5 | 111.1 | M37 L38 R43 L44 M45 | M37-R41 WeakPolarHBondContact O-CB 3.32Å; M37-R41 PolarHBondContact O-N 3.14Å; L38-R41 WeakPolarHBondContact O-CB 3.19Å; L38-R41 PolarHBondContact O-N 2.96Å; R41-R43 VanDerWaalsContact C-N 3.35Å; R41-L44 CarbonylContact O-C 3.27Å; R41-L44 PolarHBondContact O-N 3.31Å; R41-M45 WeakPolarHBondContact O-CB 3.4Å; R41-M45 VanDerWaalsContact O-CG 3.28Å; R41-M45 WeakPolarHBondContact O-CG 3.39Å; R41-M45 PolarHBondContact O-N 3.18Å |
| 42 | D | 86 | Confident | 79.8 | Confident | 79 Ų | 79 | 99.6 Ų | 99.6 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.9 | -32.7 | -176.5 | -74.5 | 13.2 | 0 | 0 | 0 | 110.8 | L38 D39 M45 E46 | L38-D42 VanDerWaalsContact O-CB 3.3Å; L38-D42 WeakPolarHBondContact O-CB 3.48Å; L38-D42 VanDerWaalsContact O-CG 3.26Å; L38-D42 PolarHBondContact O-N 2.86Å; D39-D42 PolarHBondContact O-N 3.44Å; D42-M45 PolarHBondContact O-N 3.45Å; D42-E46 WeakPolarHBondContact O-CB 3.32Å; D42-E46 PolarHBondContact O-N 3.19Å |
| 43 | R | 86.4 | Confident | 80.3 | Confident | 166 Ų | 166 | 101.1 Ų | 101.1 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.1 | -37.7 | 168.1 | -176 | 174.5 | 172.1 | -125.1 | -3.9 | 113 | D39 E40 R41 E46 G47 | D39-R43 WeakPolarHBondContact O-CB 3.26Å; D39-R43 PolarHBondContact O-N 3.5Å; E40-R43 VanDerWaalsContact CD-NH1 3.27Å; E40-R43 IonicContact OE1-CZ 3.52Å; E40-R43 IonicContact OE1-NH1 2.78Å; E40-R43 PolarHBondContact OE1-NH1 3.3Å; E40-R43 WeakPolarHBondContact OE2-CD 3.23Å; E40-R43 IonicContact OE2-CZ 3.79Å; E40-R43 IonicContact OE2-NH1 3.37Å; E40-R43 PolarHBondContact OE2-NH1 2.81Å; R41-R43 VanDerWaalsContact C-N 3.35Å; R43-E46 PolarHBondContact O-N 3.41Å; R43-G47 PolarHBondContact O-N 3.23Å |
| 44 | L | 81.9 | Confident | 80.8 | Confident | 118 Ų | 118 | 101.3 Ų | 101.3 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.1 | -34.3 | 171.5 | -74.2 | 167.6 | 0 | 0 | 0 | 112.1 | E40 R41 L48 | E40-L44 HydrophobicContact CG-CD1 4.41Å; E40-L44 WeakPolarHBondContact O-CB 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 3.14Å; R41-L44 CarbonylContact O-C 3.27Å; R41-L44 PolarHBondContact O-N 3.31Å; L44-L48 VanDerWaalsContact O-CB 3.24Å; L44-L48 WeakPolarHBondContact O-CB 3.36Å; L44-L48 PolarHBondContact O-N 3.49Å |
| 45 | M | 80.6 | Confident | 80.8 | Confident | 110 Ų | 110 | 99.3 Ų | 99.3 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.1 | -36.9 | 172.2 | -73.1 | -68.4 | -62.8 | 0 | 0 | 111.9 | R41 D42 L48 R49 | R41-M45 WeakPolarHBondContact O-CB 3.4Å; R41-M45 VanDerWaalsContact O-CG 3.28Å; R41-M45 WeakPolarHBondContact O-CG 3.39Å; R41-M45 PolarHBondContact O-N 3.18Å; D42-M45 PolarHBondContact O-N 3.45Å; M45-L48 PolarHBondContact O-N 3.39Å; M45-L48 HydrophobicContact SD-CD2 4.48Å; M45-R49 PolarHBondContact O-N 3.44Å |
| 46 | E | 84.4 | Confident | 81 | Confident | 82 Ų | 82 | 98.6 Ų | 98.6 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -51 | 172.8 | -168 | 65.3 | -160.8 | 0 | 0 | 110.1 | D42 R43 L48 R49 E50 | D42-E46 WeakPolarHBondContact O-CB 3.32Å; D42-E46 PolarHBondContact O-N 3.19Å; R43-E46 PolarHBondContact O-N 3.41Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 2.85Å; E46-R49 CarbonylContact O-C 3.6Å; E46-R49 WeakPolarHBondContact O-CA 3.5Å; E46-R49 PolarHBondContact O-N 2.98Å; E46-R49 IonicContact OE1-CZ 3.84Å; E46-R49 IonicContact OE1-NH1 3.44Å; E46-R49 PolarHBondContact OE1-NH1 2.85Å; E46-R49 IonicContact OE1-NH2 3.34Å; E46-R49 PolarHBondContact OE1-NH2 2.86Å; E46-R49 IonicContact OE2-CZ 3.67Å; E46-R49 IonicContact OE2-NH1 2.81Å; E46-R49 PolarHBondContact OE2-NH1 3.27Å; E46-E50 WeakPolarHBondContact O-CG 3.48Å; E46-E50 PolarHBondContact O-N 3.5Å |
| 47 | G | 81.8 | Confident | 81.4 | Confident | 33 Ų | 33 | 99.5 Ų | 99.5 | 34% | 0.34 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -33.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R43 S51 | R43-G47 PolarHBondContact O-N 3.23Å; G47-S51 VanDerWaalsContact O-CB 3.23Å; G47-S51 WeakPolarHBondContact O-CB 3.32Å; G47-S51 PolarHBondContact O-N 3.01Å |
| 48 | L | 79.4 | Confident | 81.8 | Confident | 91 Ų | 91 | 97.1 Ų | 97.1 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.3 | -37.8 | 170.9 | -178.2 | 62.1 | 0 | 0 | 0 | 111.5 | L44 M45 E46 Q52 | L44-L48 VanDerWaalsContact O-CB 3.24Å; L44-L48 WeakPolarHBondContact O-CB 3.36Å; L44-L48 PolarHBondContact O-N 3.49Å; M45-L48 PolarHBondContact O-N 3.39Å; M45-L48 HydrophobicContact SD-CD2 4.48Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 2.85Å; L48-Q52 VanDerWaalsContact O-CB 3.22Å; L48-Q52 WeakPolarHBondContact O-CB 3.4Å; L48-Q52 PolarHBondContact O-N 3.39Å |
| 49 | R | 85 | Confident | 82 | Confident | 120 Ų | 120 | 100.3 Ų | 100.3 | 45% | 0.453 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69 | -45.4 | 174.7 | -159 | -161.9 | 70.9 | -109.4 | -11.2 | 111.4 | M45 E46 S51 Q52 E53 | M45-R49 PolarHBondContact O-N 3.44Å; E46-R49 CarbonylContact O-C 3.6Å; E46-R49 WeakPolarHBondContact O-CA 3.5Å; E46-R49 PolarHBondContact O-N 2.98Å; E46-R49 IonicContact OE1-CZ 3.84Å; E46-R49 IonicContact OE1-NH1 3.44Å; E46-R49 PolarHBondContact OE1-NH1 2.85Å; E46-R49 IonicContact OE1-NH2 3.34Å; E46-R49 PolarHBondContact OE1-NH2 2.86Å; E46-R49 IonicContact OE2-CZ 3.67Å; E46-R49 IonicContact OE2-NH1 2.81Å; E46-R49 PolarHBondContact OE2-NH1 3.27Å; R49-S51 VanDerWaalsContact C-N 3.29Å; R49-S51 PolarHBondContact O-N 3.34Å; R49-Q52 CarbonylContact O-C 2.89Å; R49-Q52 PolarHBondContact O-N 2.91Å; R49-E53 IonicContact NE-OE2 3.66Å; R49-E53 WeakPolarHBondContact O-CB 3.45Å; R49-E53 PolarHBondContact O-N 3.4Å |
| 50 | E | 84.3 | Confident | 82 | Confident | 110 Ų | 110 | 99.2 Ų | 99.2 | 51% | 0.514 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 173.6 | -70.9 | -176.7 | 163.5 | 0 | 0 | 111.4 | E46 E53 Q54 | E46-E50 WeakPolarHBondContact O-CG 3.48Å; E46-E50 PolarHBondContact O-N 3.5Å; E50-E53 PolarHBondContact O-N 3.41Å; E50-Q54 WeakPolarHBondContact O-CG 3.24Å; E50-Q54 PolarHBondContact O-N 3.26Å |
| 51 | S | 74.1 | Confident | 82.1 | Confident | 63 Ų | 63 | 101.7 Ų | 101.7 | 44% | 0.441 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 176.5 | -168.8 | 0 | 0 | 0 | 0 | 112.3 | G47 R49 E53 Q54 V55 | G47-S51 VanDerWaalsContact O-CB 3.23Å; G47-S51 WeakPolarHBondContact O-CB 3.32Å; G47-S51 PolarHBondContact O-N 3.01Å; R49-S51 VanDerWaalsContact C-N 3.29Å; R49-S51 PolarHBondContact O-N 3.34Å; S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact O-N 2.9Å; S51-Q54 PolarHBondContact O-N 2.95Å; S51-V55 WeakPolarHBondContact O-CB 3.44Å; S51-V55 VanDerWaalsContact O-CG2 3.28Å; S51-V55 WeakPolarHBondContact O-CG2 3.49Å; S51-V55 PolarHBondContact O-N 2.86Å |
| 52 | Q | 79.6 | Confident | 81.8 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -35.6 | 173.5 | -171.1 | 78.1 | -15.6 | 0 | 0 | 111.6 | L48 R49 V55 N56 | L48-Q52 VanDerWaalsContact O-CB 3.22Å; L48-Q52 WeakPolarHBondContact O-CB 3.4Å; L48-Q52 PolarHBondContact O-N 3.39Å; R49-Q52 CarbonylContact O-C 2.89Å; R49-Q52 PolarHBondContact O-N 2.91Å; Q52-V55 PolarHBondContact O-N 2.92Å; Q52-N56 WeakPolarHBondContact O-CB 3.42Å; Q52-N56 PolarHBondContact O-N 2.86Å; Q52-N56 PolarHBondContact O-ND2 2.86Å |
| 53 | E | 85.8 | Confident | 81.5 | Confident | 117 Ų | 117 | 98.8 Ų | 98.8 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.5 | -43.7 | 176.8 | -169.1 | 160.5 | -171.7 | 0 | 0 | 110.9 | R49 E50 S51 V55 N56 E57 | R49-E53 IonicContact NE-OE2 3.66Å; R49-E53 WeakPolarHBondContact O-CB 3.45Å; R49-E53 PolarHBondContact O-N 3.4Å; E50-E53 PolarHBondContact O-N 3.41Å; S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact O-N 2.9Å; E53-V55 PolarHBondContact O-N 3.21Å; E53-N56 PolarHBondContact O-N 2.78Å; E53-E57 WeakPolarHBondContact O-CB 3.24Å; E53-E57 PolarHBondContact O-N 2.81Å |
| 54 | Q | 80.6 | Confident | 81.4 | Confident | 131 Ų | 131 | 95.5 Ų | 95.5 | 61% | 0.612 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.1 | -38.8 | 168.8 | -74.9 | -172.6 | 7.5 | 0 | 0 | 112.8 | E50 S51 N56 E57 T58 | E50-Q54 WeakPolarHBondContact O-CG 3.24Å; E50-Q54 PolarHBondContact O-N 3.26Å; S51-Q54 PolarHBondContact O-N 2.95Å; Q54-N56 VanDerWaalsContact C-N 3.31Å; Q54-N56 PolarHBondContact O-N 3.46Å; Q54-E57 PolarHBondContact O-N 2.92Å; Q54-T58 WeakPolarHBondContact O-CB 2.79Å; Q54-T58 WeakPolarHBondContact O-CG2 3.39Å; Q54-T58 PolarHBondContact O-N 2.9Å; Q54-T58 PolarHBondContact O-OG1 3.32Å |
| 55 | V | 77.9 | Confident | 81 | Confident | 55 Ų | 55 | 94 Ų | 94 | 33% | 0.333 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -36 | 174.7 | 165.5 | 0 | 0 | 0 | 0 | 111.1 | S51 Q52 E53 T58 R59 | S51-V55 WeakPolarHBondContact O-CB 3.44Å; S51-V55 VanDerWaalsContact O-CG2 3.28Å; S51-V55 WeakPolarHBondContact O-CG2 3.49Å; S51-V55 PolarHBondContact O-N 2.86Å; Q52-V55 PolarHBondContact O-N 2.92Å; E53-V55 PolarHBondContact O-N 3.21Å; V55-T58 WeakPolarHBondContact CA-OG1 3.5Å; V55-T58 PolarHBondContact O-OG1 3.46Å; V55-R59 VanDerWaalsContact O-CB 3.29Å; V55-R59 WeakPolarHBondContact O-CB 3.49Å; V55-R59 WeakPolarHBondContact O-CD 3.45Å; V55-R59 WeakPolarHBondContact O-CG 3.25Å; V55-R59 PolarHBondContact O-N 3.22Å |
| 56 | N | 83.1 | Confident | 80.7 | Confident | 75 Ų | 75 | 91 Ų | 91 | 40% | 0.401 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -75.4 | -37.7 | 175.2 | -71.5 | -21.4 | 0 | 0 | 0 | 112.6 | Q52 E53 Q54 R59 T60 | Q52-N56 WeakPolarHBondContact O-CB 3.42Å; Q52-N56 PolarHBondContact O-N 2.86Å; Q52-N56 PolarHBondContact O-ND2 2.86Å; E53-N56 PolarHBondContact O-N 2.78Å; Q54-N56 VanDerWaalsContact C-N 3.31Å; Q54-N56 PolarHBondContact O-N 3.46Å; N56-R59 PolarHBondContact O-N 3.25Å; N56-T60 WeakPolarHBondContact O-CB 3.37Å; N56-T60 PolarHBondContact O-N 3.09Å; N56-T60 PolarHBondContact O-OG1 2.56Å |
| 57 | E | 83.5 | Confident | 80.6 | Confident | 93 Ų | 93 | 93.3 Ų | 93.3 | 44% | 0.435 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 175.4 | -162.8 | -163.4 | -156.5 | 0 | 0 | 110.8 | E53 Q54 T60 R61 | E53-E57 WeakPolarHBondContact O-CB 3.24Å; E53-E57 PolarHBondContact O-N 2.81Å; Q54-E57 PolarHBondContact O-N 2.92Å; E57-T60 PolarHBondContact O-N 3.39Å; E57-R61 VanDerWaalsContact CD-CZ 3.4Å; E57-R61 WeakPolarHBondContact O-CG 3.38Å; E57-R61 PolarHBondContact O-N 3.3Å; E57-R61 IonicContact OE1-CZ 3.68Å; E57-R61 IonicContact OE1-NH1 3.52Å; E57-R61 PolarHBondContact OE1-NH1 3.1Å; E57-R61 IonicContact OE1-NH2 3.95Å; E57-R61 PolarHBondContact OE1-NH2 3.44Å; E57-R61 IonicContact OE2-CZ 3.38Å; E57-R61 IonicContact OE2-NH1 2.69Å; E57-R61 PolarHBondContact OE2-NH1 3.42Å; E57-R61 IonicContact OE2-NH2 3.34Å; E57-R61 PolarHBondContact OE2-NH2 3.29Å |
| 58 | T | 74.6 | Confident | 80.5 | Confident | 78 Ų | 78 | 97.3 Ų | 97.3 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.7 | -36.5 | 174.9 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | Q54 V55 T60 R61 L62 | Q54-T58 WeakPolarHBondContact O-CB 2.79Å; Q54-T58 WeakPolarHBondContact O-CG2 3.39Å; Q54-T58 PolarHBondContact O-N 2.9Å; Q54-T58 PolarHBondContact O-OG1 3.32Å; V55-T58 WeakPolarHBondContact CA-OG1 3.5Å; V55-T58 PolarHBondContact O-OG1 3.46Å; T58-T60 VanDerWaalsContact C-N 3.35Å; T58-R61 PolarHBondContact O-N 2.8Å; T58-L62 VanDerWaalsContact O-CB 3.3Å; T58-L62 WeakPolarHBondContact O-CB 3.41Å; T58-L62 PolarHBondContact O-N 3.47Å |
| 59 | R | 83.5 | Confident | 80.4 | Confident | 150 Ų | 150 | 94.1 Ų | 94.1 | 57% | 0.566 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 168.2 | -81.3 | 169 | 169.9 | 163.7 | -4.1 | 112.7 | V55 N56 L62 S63 | V55-R59 VanDerWaalsContact O-CB 3.29Å; V55-R59 WeakPolarHBondContact O-CB 3.49Å; V55-R59 WeakPolarHBondContact O-CD 3.45Å; V55-R59 WeakPolarHBondContact O-CG 3.25Å; V55-R59 PolarHBondContact O-N 3.22Å; N56-R59 PolarHBondContact O-N 3.25Å; R59-L62 PolarHBondContact O-N 3.42Å; R59-S63 WeakPolarHBondContact O-CB 3.5Å; R59-S63 PolarHBondContact O-N 2.89Å |
| 60 | T | 84.9 | Confident | 80 | Confident | 85 Ų | 85 | 92 Ų | 92 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.2 | -47 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | N56 E57 T58 L62 S63 E64 | N56-T60 WeakPolarHBondContact O-CB 3.37Å; N56-T60 PolarHBondContact O-N 3.09Å; N56-T60 PolarHBondContact O-OG1 2.56Å; E57-T60 PolarHBondContact O-N 3.39Å; T58-T60 VanDerWaalsContact C-N 3.35Å; T60-L62 VanDerWaalsContact C-N 3.33Å; T60-L62 PolarHBondContact O-N 2.93Å; T60-S63 PolarHBondContact O-N 3.34Å; T60-E64 WeakPolarHBondContact O-CB 3.34Å; T60-E64 PolarHBondContact O-N 3.18Å |
| 61 | R | 82.2 | Confident | 79.8 | Confident | 134 Ų | 134 | 93.4 Ų | 93.4 | 51% | 0.506 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 172.3 | -72.7 | -176.2 | -179.6 | 114.9 | 11.8 | 112.5 | E57 T58 E64 V65 | E57-R61 VanDerWaalsContact CD-CZ 3.4Å; E57-R61 WeakPolarHBondContact O-CG 3.38Å; E57-R61 PolarHBondContact O-N 3.3Å; E57-R61 IonicContact OE1-CZ 3.68Å; E57-R61 IonicContact OE1-NH1 3.52Å; E57-R61 PolarHBondContact OE1-NH1 3.1Å; E57-R61 IonicContact OE1-NH2 3.95Å; E57-R61 PolarHBondContact OE1-NH2 3.44Å; E57-R61 IonicContact OE2-CZ 3.38Å; E57-R61 IonicContact OE2-NH1 2.69Å; E57-R61 PolarHBondContact OE2-NH1 3.42Å; E57-R61 IonicContact OE2-NH2 3.34Å; E57-R61 PolarHBondContact OE2-NH2 3.29Å; T58-R61 PolarHBondContact O-N 2.8Å; R61-E64 PolarHBondContact O-N 2.89Å; R61-V65 WeakPolarHBondContact O-CG2 3.29Å; R61-V65 PolarHBondContact O-N 3.02Å |
| 62 | L | 77.4 | Confident | 79.6 | Confident | 103 Ų | 103 | 95.8 Ų | 95.8 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.4 | -52.1 | 175.1 | -174.3 | 71.4 | 0 | 0 | 0 | 110.3 | T58 R59 T60 E64 V65 E66 | T58-L62 VanDerWaalsContact O-CB 3.3Å; T58-L62 WeakPolarHBondContact O-CB 3.41Å; T58-L62 PolarHBondContact O-N 3.47Å; R59-L62 PolarHBondContact O-N 3.42Å; T60-L62 VanDerWaalsContact C-N 3.33Å; T60-L62 PolarHBondContact O-N 2.93Å; L62-E64 PolarHBondContact O-N 2.87Å; L62-V65 PolarHBondContact O-N 3.22Å; L62-V65 VanDerWaalsContact O-N 3.16Å; L62-E66 HydrophobicContact CG-CG 4.42Å; L62-E66 WeakPolarHBondContact O-CB 3.45Å; L62-E66 VanDerWaalsContact O-CG 3.3Å; L62-E66 WeakPolarHBondContact O-CG 3.26Å; L62-E66 PolarHBondContact O-N 3.06Å |
| 63 | S | 81.2 | Confident | 79.2 | Confident | 57 Ų | 57 | 94.8 Ų | 94.8 | 40% | 0.399 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58 | -33.6 | 176.9 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | R59 T60 R67 | R59-S63 WeakPolarHBondContact O-CB 3.5Å; R59-S63 PolarHBondContact O-N 2.89Å; T60-S63 PolarHBondContact O-N 3.34Å; S63-R67 VanDerWaalsContact O-CB 3.29Å; S63-R67 WeakPolarHBondContact O-CB 3.41Å; S63-R67 PolarHBondContact O-N 2.87Å; S63-R67 PolarHBondContact O-NH2 3.45Å |
| 64 | E | 83.4 | Confident | 78.8 | Confident | 97 Ų | 97 | 92 Ų | 92 | 45% | 0.453 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.3 | -49.1 | 174.9 | -166 | 128.5 | -89.6 | 0 | 0 | 112.2 | T60 R61 L62 E66 R67 E68 | T60-E64 WeakPolarHBondContact O-CB 3.34Å; T60-E64 PolarHBondContact O-N 3.18Å; R61-E64 PolarHBondContact O-N 2.89Å; L62-E64 PolarHBondContact O-N 2.87Å; E64-E66 VanDerWaalsContact C-N 3.29Å; E64-E66 PolarHBondContact O-N 3.44Å; E64-R67 WeakPolarHBondContact O-CB 3.3Å; E64-R67 PolarHBondContact O-N 3.43Å; E64-R67 VanDerWaalsContact O-N 3.08Å; E64-R67 IonicContact OE1-CZ 3.97Å; E64-R67 IonicContact OE1-NH1 2.69Å; E64-R67 PolarHBondContact OE1-NH1 2.96Å; E64-R67 IonicContact OE1-NH2 3.24Å; E64-E68 PolarHBondContact O-N 3.4Å |
| 65 | V | 73.3 | Confident | 78.4 | Confident | 86 Ų | 86 | 90.5 Ų | 90.5 | 52% | 0.521 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64 | -33.7 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | R61 L62 E68 R69 | R61-V65 WeakPolarHBondContact O-CG2 3.29Å; R61-V65 PolarHBondContact O-N 3.02Å; L62-V65 PolarHBondContact O-N 3.22Å; L62-V65 VanDerWaalsContact O-N 3.16Å; V65-E68 PolarHBondContact O-N 2.91Å; V65-R69 WeakPolarHBondContact O-CB 3.46Å; V65-R69 PolarHBondContact O-N 2.67Å |
| 66 | E | 74.5 | Confident | 77.8 | Confident | 49 Ų | 49 | 92.2 Ų | 92.2 | 23% | 0.229 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67.2 | -36.6 | 171.6 | -74 | -162.4 | 98.4 | 0 | 0 | 112.5 | L62 E64 R69 D70 M1027 | L62-E66 HydrophobicContact CG-CG 4.42Å; L62-E66 WeakPolarHBondContact O-CB 3.45Å; L62-E66 VanDerWaalsContact O-CG 3.3Å; L62-E66 WeakPolarHBondContact O-CG 3.26Å; L62-E66 PolarHBondContact O-N 3.06Å; E64-E66 VanDerWaalsContact C-N 3.29Å; E64-E66 PolarHBondContact O-N 3.44Å; E66-R69 WeakPolarHBondContact O-CB 3.19Å; E66-R69 PolarHBondContact O-N 3.05Å; E66-R69 PolarHBondContact O-NE 3.47Å; E66-R69 PolarHBondContact O-NH2 3.03Å; E66-R69 IonicContact OE1-CZ 2.66Å; E66-R69 IonicContact OE1-NH1 3.57Å; E66-R69 PolarHBondContact OE1-NH1 2.92Å; E66-R69 IonicContact OE1-NH2 3.42Å; E66-D70 PolarHBondContact O-N 3.37Å; E66-M1027 HydrophobicContact CG-CE 4.4Å |
| 67 | R | 83.5 | Confident | 77.1 | Confident | 129 Ų | 129 | 91.9 Ų | 91.9 | 49% | 0.487 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.7 | -36.8 | 175.8 | -160.2 | -172.7 | -43.8 | 121 | 10.9 | 111.6 | S63 E64 D70 K71 | S63-R67 VanDerWaalsContact O-CB 3.29Å; S63-R67 WeakPolarHBondContact O-CB 3.41Å; S63-R67 PolarHBondContact O-N 2.87Å; S63-R67 PolarHBondContact O-NH2 3.45Å; E64-R67 WeakPolarHBondContact O-CB 3.3Å; E64-R67 PolarHBondContact O-N 3.43Å; E64-R67 VanDerWaalsContact O-N 3.08Å; E64-R67 IonicContact OE1-CZ 3.97Å; E64-R67 IonicContact OE1-NH1 2.69Å; E64-R67 PolarHBondContact OE1-NH1 2.96Å; E64-R67 IonicContact OE1-NH2 3.24Å; R67-D70 PolarHBondContact O-N 3.32Å; R67-K71 VanDerWaalsContact O-CB 3.27Å; R67-K71 WeakPolarHBondContact O-CB 3.43Å; R67-K71 PolarHBondContact O-N 2.83Å |
| 68 | E | 78.6 | Confident | 76.6 | Confident | 117 Ų | 117 | 91.7 Ų | 91.7 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 170.1 | -67.4 | -149.1 | 129.9 | 0 | 0 | 111.7 | E64 V65 K71 L72 | E64-E68 PolarHBondContact O-N 3.4Å; V65-E68 PolarHBondContact O-N 2.91Å; E68-K71 PolarHBondContact O-N 3.44Å; E68-L72 WeakPolarHBondContact O-CB 3.44Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.3Å |
| 69 | R | 77.9 | Confident | 76.5 | Confident | 25 Ų | 25 | 96.2 Ų | 96.2 | 9% | 0.094 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -52.5 | -56.2 | 168.3 | 170.3 | -141.2 | 53.4 | -136.4 | 1.9 | 109.9 | V65 E66 K71 L72 H73 P1026 M1027 | V65-R69 WeakPolarHBondContact O-CB 3.46Å; V65-R69 PolarHBondContact O-N 2.67Å; E66-R69 WeakPolarHBondContact O-CB 3.19Å; E66-R69 PolarHBondContact O-N 3.05Å; E66-R69 PolarHBondContact O-NE 3.47Å; E66-R69 PolarHBondContact O-NH2 3.03Å; E66-R69 IonicContact OE1-CZ 2.66Å; E66-R69 IonicContact OE1-NH1 3.57Å; E66-R69 PolarHBondContact OE1-NH1 2.92Å; E66-R69 IonicContact OE1-NH2 3.42Å; R69-K71 VanDerWaalsContact C-N 3.26Å; R69-K71 PolarHBondContact O-N 2.93Å; R69-L72 CarbonylContact O-C 3.59Å; R69-L72 PolarHBondContact O-N 2.83Å; R69-L72 VanDerWaalsContact O-N 3.09Å; R69-H73 VanDerWaalsContact O-CB 3.26Å; R69-H73 WeakPolarHBondContact O-CB 3.47Å; R69-H73 PolarHBondContact O-N 2.88Å; R69-P1026 WeakPolarHBondContact CD-O 3.31Å; R69-M1027 HydrophobicContact CB-CE 4.34Å; R69-M1027 VanDerWaalsContact CD-CB 3.45Å; R69-M1027 VanDerWaalsContact CD-CG 3.46Å; R69-M1027 HydrophobicContact CG-CE 4.26Å; R69-M1027 HydrophobicContact CG-CG 4.48Å; R69-M1027 PolarHBondContact NH1-SD 2.85Å |
| 70 | D | 76.4 | Confident | 75.1 | Confident | 76 Ų | 76 | 93 Ų | 93 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | -176.4 | -74.1 | -23.7 | 0 | 0 | 0 | 111.9 | E66 R67 A74 | E66-D70 PolarHBondContact O-N 3.37Å; R67-D70 PolarHBondContact O-N 3.32Å; D70-A74 WeakPolarHBondContact O-CB 3.28Å; D70-A74 PolarHBondContact O-N 2.86Å |
| 71 | K | 79.5 | Confident | 74.5 | Confident | 138 Ų | 138 | 92.8 Ų | 92.8 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.8 | -37 | 175.4 | -172.1 | 178.4 | 179.4 | -174.5 | 0 | 112.7 | R67 E68 R69 Q75 | R67-K71 VanDerWaalsContact O-CB 3.27Å; R67-K71 WeakPolarHBondContact O-CB 3.43Å; R67-K71 PolarHBondContact O-N 2.83Å; E68-K71 PolarHBondContact O-N 3.44Å; R69-K71 VanDerWaalsContact C-N 3.26Å; R69-K71 PolarHBondContact O-N 2.93Å; K71-Q75 WeakPolarHBondContact O-CB 3.49Å; K71-Q75 VanDerWaalsContact O-CG 3.26Å; K71-Q75 WeakPolarHBondContact O-CG 3.25Å; K71-Q75 PolarHBondContact O-N 3.39Å; K71-Q75 PolarHBondContact O-NE2 3.4Å |
| 72 | L | 69.8 | Low | 74 | Confident | 114 Ų | 114 | 93.8 Ų | 93.8 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -76.7 | -41.4 | 175.4 | -71.8 | 170.5 | 0 | 0 | 0 | 112 | E68 R69 Q75 L76 | E68-L72 WeakPolarHBondContact O-CB 3.44Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.3Å; R69-L72 CarbonylContact O-C 3.59Å; R69-L72 PolarHBondContact O-N 2.83Å; R69-L72 VanDerWaalsContact O-N 3.09Å; L72-Q75 PolarHBondContact O-N 2.93Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.4Å |
| 73 | H | 72.4 | Confident | 73.8 | Confident | 81 Ų | 81 | 94.8 Ų | 94.8 | 38% | 0.375 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 177.8 | -164.1 | 121.6 | 0 | 0 | 0 | 110.6 | R69 L76 S77 M1027 | R69-H73 VanDerWaalsContact O-CB 3.26Å; R69-H73 WeakPolarHBondContact O-CB 3.47Å; R69-H73 PolarHBondContact O-N 2.88Å; H73-L76 PolarHBondContact O-N 2.92Å; H73-S77 WeakPolarHBondContact O-CB 3.3Å; H73-S77 PolarHBondContact O-N 2.82Å; H73-M1027 PolarHBondContact ND1-O 2.56Å |
| 74 | A | 76.8 | Confident | 73.4 | Confident | 59 Ų | 59 | 93.5 Ų | 93.5 | 49% | 0.488 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | D70 A78 | D70-A74 WeakPolarHBondContact O-CB 3.28Å; D70-A74 PolarHBondContact O-N 2.86Å; A74-A78 WeakPolarHBondContact O-CB 3.49Å; A74-A78 PolarHBondContact O-N 3.05Å |
| 75 | Q | 72.9 | Confident | 73 | Confident | 99 Ų | 99 | 91.4 Ų | 91.4 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 174.9 | -79 | 175 | 65.2 | 0 | 0 | 113.3 | K71 L72 K79 | K71-Q75 WeakPolarHBondContact O-CB 3.49Å; K71-Q75 VanDerWaalsContact O-CG 3.26Å; K71-Q75 WeakPolarHBondContact O-CG 3.25Å; K71-Q75 PolarHBondContact O-N 3.39Å; K71-Q75 PolarHBondContact O-NE2 3.4Å; L72-Q75 PolarHBondContact O-N 2.93Å; Q75-K79 WeakPolarHBondContact O-CB 3.44Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.47Å |
| 76 | L | 65.2 | Low | 73.2 | Confident | 92 Ų | 92 | 92.2 Ų | 92.2 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71 | -46.3 | 176.2 | -173.9 | 65.4 | 0 | 0 | 0 | 110.7 | L72 H73 K79 M80 | L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.4Å; H73-L76 PolarHBondContact O-N 2.92Å; L76-K79 CarbonylContact O-C 3.57Å; L76-K79 PolarHBondContact O-N 3.45Å; L76-K79 VanDerWaalsContact O-N 3.1Å; L76-M80 PolarHBondContact O-N 3.1Å |
| 77 | S | 66.8 | Low | 73.2 | Confident | 67 Ų | 67 | 91.9 Ų | 91.9 | 47% | 0.469 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | H73 K79 M80 | H73-S77 WeakPolarHBondContact O-CB 3.3Å; H73-S77 PolarHBondContact O-N 2.82Å; S77-K79 PolarHBondContact O-N 3.31Å; S77-K79 VanDerWaalsContact O-N 3.13Å; S77-M80 PolarHBondContact O-N 2.83Å; S77-M80 VanDerWaalsContact O-N 3.14Å |
| 78 | A | 73.9 | Confident | 72.8 | Confident | 90 Ų | 90 | 87 Ų | 87 | 74% | 0.744 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A74 | A74-A78 WeakPolarHBondContact O-CB 3.49Å; A74-A78 PolarHBondContact O-N 3.05Å |
| 79 | K | 72.9 | Confident | 73.1 | Confident | 173 Ų | 173 | 88.2 Ų | 88.2 | 75% | 0.752 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -2.2 | 174.4 | -73.6 | -176.4 | 175.5 | -178.6 | 0 | 113.8 | Q75 L76 S77 | Q75-K79 WeakPolarHBondContact O-CB 3.44Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.47Å; L76-K79 CarbonylContact O-C 3.57Å; L76-K79 PolarHBondContact O-N 3.45Å; L76-K79 VanDerWaalsContact O-N 3.1Å; S77-K79 PolarHBondContact O-N 3.31Å; S77-K79 VanDerWaalsContact O-N 3.13Å |
| 80 | M | 54.9 | Low | 73.4 | Confident | 81 Ų | 81 | 91 Ų | 91 | 40% | 0.399 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -82.3 | 125.1 | -177.9 | -174.3 | 149.4 | 58.9 | 0 | 0 | 110.4 | L76 S77 V84 V85 | L76-M80 PolarHBondContact O-N 3.1Å; S77-M80 PolarHBondContact O-N 2.83Å; S77-M80 VanDerWaalsContact O-N 3.14Å; M80-V84 HydrophobicContact CG-CB 4.11Å; M80-V84 HydrophobicContact CG-CG1 4.07Å; M80-V84 HydrophobicContact SD-CG1 3.95Å; M80-V85 HydrophobicContact CB-CG2 4.5Å; M80-V85 HydrophobicContact CE-CG2 4.2Å; M80-V85 HydrophobicContact CG-CG2 4.1Å |
| 81 | P | 72.2 | Confident | 73.7 | Confident | 81 Ų | 81 | 88.2 Ų | 88.2 | 53% | 0.526 | 46% | 0.464 | S | S | . | . | trans | -58.7 | 140 | 179.1 | -25 | 34.5 | 0 | 0 | 0 | 112.2 | D83 V84 V85 | P81-D83 VanDerWaalsContact C-N 3.25Å; P81-D83 PolarHBondContact O-N 3.34Å; P81-V84 HydrophobicContact CB-CG2 4.19Å; P81-V84 HydrophobicContact CG-CG2 4.4Å; P81-V84 WeakPolarHBondContact O-CA 3.47Å; P81-V84 WeakPolarHBondContact O-CB 3.47Å; P81-V84 PolarHBondContact O-N 2.91Å; P81-V85 PolarHBondContact O-N 3.47Å | ||
| 82 | Q | 71.9 | Confident | 73.9 | Confident | 156 Ų | 156 | 85.6 Ų | 85.6 | 73% | 0.729 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.5 | -36.6 | -174 | -172.3 | 169.3 | -17.9 | 0 | 0 | 112.7 | V84 V85 E86 | Q82-V84 VanDerWaalsContact C-N 3.29Å; Q82-V84 PolarHBondContact O-N 3.31Å; Q82-V85 WeakPolarHBondContact O-CA 3.27Å; Q82-V85 WeakPolarHBondContact O-CB 3.12Å; Q82-V85 PolarHBondContact O-N 2.97Å; Q82-E86 PolarHBondContact O-N 2.93Å |
| 83 | D | 72.9 | Confident | 74.8 | Confident | 124 Ų | 124 | 85.4 Ų | 85.4 | 66% | 0.663 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -57.2 | -41 | 173.7 | -53.8 | 9.1 | 0 | 0 | 0 | 111.8 | P81 V85 E86 M87 | P81-D83 VanDerWaalsContact C-N 3.25Å; P81-D83 PolarHBondContact O-N 3.34Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 3.44Å; D83-E86 PolarHBondContact O-N 2.9Å; D83-M87 VanDerWaalsContact O-CB 3.3Å; D83-M87 WeakPolarHBondContact O-CB 3.46Å; D83-M87 WeakPolarHBondContact O-CG 3.38Å; D83-M87 PolarHBondContact O-N 3.32Å |
| 84 | V | 72.6 | Confident | 75.5 | Confident | 30 Ų | 30 | 81.9 Ų | 81.9 | 18% | 0.182 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.3 | -31.2 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | M80 P81 Q82 S88 | M80-V84 HydrophobicContact CG-CB 4.11Å; M80-V84 HydrophobicContact CG-CG1 4.07Å; M80-V84 HydrophobicContact SD-CG1 3.95Å; P81-V84 HydrophobicContact CB-CG2 4.19Å; P81-V84 HydrophobicContact CG-CG2 4.4Å; P81-V84 WeakPolarHBondContact O-CA 3.47Å; P81-V84 WeakPolarHBondContact O-CB 3.47Å; P81-V84 PolarHBondContact O-N 2.91Å; Q82-V84 VanDerWaalsContact C-N 3.29Å; Q82-V84 PolarHBondContact O-N 3.31Å; V84-S88 VanDerWaalsContact O-CB 3.23Å; V84-S88 WeakPolarHBondContact O-CB 3.35Å; V84-S88 PolarHBondContact O-N 3.33Å; V84-S88 PolarHBondContact O-OG 3.28Å |
| 85 | V | 74.9 | Confident | 75.9 | Confident | 52 Ų | 52 | 82 Ų | 82 | 32% | 0.315 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.8 | -48.2 | 172.6 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | M80 P81 Q82 D83 S88 K89 | M80-V85 HydrophobicContact CB-CG2 4.5Å; M80-V85 HydrophobicContact CE-CG2 4.2Å; M80-V85 HydrophobicContact CG-CG2 4.1Å; P81-V85 PolarHBondContact O-N 3.47Å; Q82-V85 WeakPolarHBondContact O-CA 3.27Å; Q82-V85 WeakPolarHBondContact O-CB 3.12Å; Q82-V85 PolarHBondContact O-N 2.97Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 3.44Å; V85-S88 PolarHBondContact O-N 3.31Å; V85-K89 PolarHBondContact O-N 3.49Å |
| 86 | E | 77.4 | Confident | 76.6 | Confident | 103 Ų | 103 | 84.3 Ų | 84.3 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 179.8 | -167.1 | -178.6 | 137.5 | 0 | 0 | 112.1 | Q82 D83 S88 K89 K90 | Q82-E86 PolarHBondContact O-N 2.93Å; D83-E86 PolarHBondContact O-N 2.9Å; E86-S88 VanDerWaalsContact C-N 3.25Å; E86-S88 PolarHBondContact O-N 3.37Å; E86-K89 PolarHBondContact O-N 3.25Å; E86-K89 VanDerWaalsContact O-N 3.16Å; E86-K90 PolarHBondContact O-N 2.88Å; E86-K90 VanDerWaalsContact O-N 3.09Å; E86-K90 WeakPolarHBondContact OE1-CE 3.26Å; E86-K90 IonicContact OE1-NZ 2.56Å; E86-K90 PolarHBondContact OE1-NZ 2.89Å |
| 87 | M | 73 | Confident | 77.6 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 21% | 0.212 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -61.7 | -34.1 | 173.3 | -72 | -60.4 | -61.1 | 0 | 0 | 112.1 | D83 L91 L239 S242 | D83-M87 VanDerWaalsContact O-CB 3.3Å; D83-M87 WeakPolarHBondContact O-CB 3.46Å; D83-M87 WeakPolarHBondContact O-CG 3.38Å; D83-M87 PolarHBondContact O-N 3.32Å; M87-L91 WeakPolarHBondContact O-CB 3.48Å; M87-L91 PolarHBondContact O-N 3.22Å; M87-L239 HydrophobicContact CE-CD2 3.58Å; M87-L239 HydrophobicContact SD-CD2 4.49Å; M87-S242 WeakPolarHBondContact CE-OG 3.37Å |
| 88 | S | 76.5 | Confident | 78.6 | Confident | 27 Ų | 27 | 81.1 Ų | 81.1 | 19% | 0.189 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -72.7 | -31.5 | 175.3 | -59 | 0 | 0 | 0 | 0 | 112.9 | V84 V85 E86 L91 T92 K243 | V84-S88 VanDerWaalsContact O-CB 3.23Å; V84-S88 WeakPolarHBondContact O-CB 3.35Å; V84-S88 PolarHBondContact O-N 3.33Å; V84-S88 PolarHBondContact O-OG 3.28Å; V85-S88 PolarHBondContact O-N 3.31Å; E86-S88 VanDerWaalsContact C-N 3.25Å; E86-S88 PolarHBondContact O-N 3.37Å; S88-L91 WeakPolarHBondContact O-CB 3.19Å; S88-L91 PolarHBondContact O-N 3.49Å; S88-T92 PolarHBondContact O-N 2.98Å; S88-T92 PolarHBondContact O-OG1 2.94Å; S88-K243 PolarHBondContact OG-NZ 3.24Å |
| 89 | K | 85 | Confident | 79.1 | Confident | 141 Ų | 141 | 81.8 Ų | 81.8 | 61% | 0.613 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.7 | -47 | 172.5 | -73.3 | -177.9 | 176.6 | -173.4 | 0 | 112.1 | V85 E86 L91 T92 E93 | V85-K89 PolarHBondContact O-N 3.49Å; E86-K89 PolarHBondContact O-N 3.25Å; E86-K89 VanDerWaalsContact O-N 3.16Å; K89-L91 VanDerWaalsContact C-N 3.26Å; K89-L91 PolarHBondContact O-N 3.46Å; K89-T92 WeakPolarHBondContact CA-OG1 3.42Å; K89-T92 PolarHBondContact O-N 2.8Å; K89-T92 PolarHBondContact O-OG1 2.79Å; K89-E93 WeakPolarHBondContact O-CB 3.42Å; K89-E93 PolarHBondContact O-N 2.95Å |
| 90 | K | 84.3 | Confident | 79.8 | Confident | 84 Ų | 84 | 78.8 Ų | 78.8 | 37% | 0.365 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 176 | -68 | 174.8 | -172 | 165.2 | 0 | 111.5 | E86 E93 V94 L239 | E86-K90 PolarHBondContact O-N 2.88Å; E86-K90 VanDerWaalsContact O-N 3.09Å; E86-K90 WeakPolarHBondContact OE1-CE 3.26Å; E86-K90 IonicContact OE1-NZ 2.56Å; E86-K90 PolarHBondContact OE1-NZ 2.89Å; K90-E93 PolarHBondContact O-N 3.49Å; K90-V94 WeakPolarHBondContact O-CG2 3.49Å; K90-V94 PolarHBondContact O-N 2.93Å; K90-L239 HydrophobicContact CB-CD1 4.29Å; K90-L239 HydrophobicContact CB-CD2 4.22Å |
| 91 | L | 81.9 | Confident | 81.4 | Confident | 18 Ų | 18 | 77.7 Ų | 77.7 | 9% | 0.094 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.9 | -51.8 | 172.8 | -165.5 | 76.5 | 0 | 0 | 0 | 111.5 | M87 S88 K89 E93 V94 E95 L236 L239 K240 K243 | M87-L91 WeakPolarHBondContact O-CB 3.48Å; M87-L91 PolarHBondContact O-N 3.22Å; S88-L91 WeakPolarHBondContact O-CB 3.19Å; S88-L91 PolarHBondContact O-N 3.49Å; K89-L91 VanDerWaalsContact C-N 3.26Å; K89-L91 PolarHBondContact O-N 3.46Å; L91-E93 VanDerWaalsContact C-N 3.35Å; L91-E93 PolarHBondContact O-N 2.85Å; L91-V94 PolarHBondContact O-N 3.25Å; L91-E95 WeakPolarHBondContact O-CB 3.3Å; L91-E95 WeakPolarHBondContact O-CG 3.41Å; L91-E95 PolarHBondContact O-N 3.28Å; L91-L236 HydrophobicContact CD1-CD1 3.58Å; L91-L236 HydrophobicContact CG-CD1 4.26Å; L91-L239 HydrophobicContact CD1-CB 3.84Å; L91-K240 HydrophobicContact CD1-CD 4.41Å; L91-K240 HydrophobicContact CD1-CG 3.59Å; L91-K243 HydrophobicContact CD2-CD 4.38Å |
| 92 | T | 83.5 | Confident | 82.1 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 178.8 | 46.8 | 0 | 0 | 0 | 0 | 113.1 | S88 K89 E95 E96 | S88-T92 PolarHBondContact O-N 2.98Å; S88-T92 PolarHBondContact O-OG1 2.94Å; K89-T92 WeakPolarHBondContact CA-OG1 3.42Å; K89-T92 PolarHBondContact O-N 2.8Å; K89-T92 PolarHBondContact O-OG1 2.79Å; T92-E95 PolarHBondContact O-N 2.95Å; T92-E96 WeakPolarHBondContact O-CB 3.46Å; T92-E96 PolarHBondContact O-N 3.01Å |
| 93 | E | 88.5 | Confident | 82.9 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 52% | 0.519 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 177.8 | -175.5 | 179.6 | 174.6 | 0 | 0 | 112.2 | K89 K90 L91 Q97 | K89-E93 WeakPolarHBondContact O-CB 3.42Å; K89-E93 PolarHBondContact O-N 2.95Å; K90-E93 PolarHBondContact O-N 3.49Å; L91-E93 VanDerWaalsContact C-N 3.35Å; L91-E93 PolarHBondContact O-N 2.85Å; E93-Q97 WeakPolarHBondContact O-CB 3.5Å; E93-Q97 WeakPolarHBondContact O-CG 3.48Å; E93-Q97 PolarHBondContact O-N 2.71Å; E93-Q97 VanDerWaalsContact O-N 3.07Å |
| 94 | V | 87.6 | Confident | 83.7 | Confident | 7 Ų | 7 | 70.5 Ų | 70.5 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.2 | -35 | 174 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | K90 L91 L98 L232 E235 L236 L239 | K90-V94 WeakPolarHBondContact O-CG2 3.49Å; K90-V94 PolarHBondContact O-N 2.93Å; L91-V94 PolarHBondContact O-N 3.25Å; V94-L98 VanDerWaalsContact O-CB 3.29Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 PolarHBondContact O-N 3.18Å; V94-L232 HydrophobicContact CG1-CB 4.5Å; V94-L232 HydrophobicContact CG1-CD2 4.13Å; V94-E235 HydrophobicContact CG1-CB 4.41Å; V94-E235 HydrophobicContact CG1-CG 4.47Å; V94-E235 HydrophobicContact CG2-CG 4.11Å; V94-L236 HydrophobicContact CG1-CB 3.88Å; V94-L236 HydrophobicContact CG1-CD1 4.32Å; V94-L239 HydrophobicContact CB-CD1 4.13Å; V94-L239 HydrophobicContact CG2-CD1 3.72Å |
| 95 | E | 85.2 | Confident | 84.5 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 29% | 0.29 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 173.6 | -71.7 | 176.9 | 148.1 | 0 | 0 | 112 | L91 T92 L98 I99 L236 K240 | L91-E95 WeakPolarHBondContact O-CB 3.3Å; L91-E95 WeakPolarHBondContact O-CG 3.41Å; L91-E95 PolarHBondContact O-N 3.28Å; T92-E95 PolarHBondContact O-N 2.95Å; E95-L98 PolarHBondContact O-N 2.81Å; E95-I99 WeakPolarHBondContact O-CG1 3.37Å; E95-I99 PolarHBondContact O-N 3.4Å; E95-I99 VanDerWaalsContact O-N 3.14Å; E95-L236 HydrophobicContact CG-CD1 3.48Å; E95-L236 VanDerWaalsContact CG-CD1 3.48Å; E95-L236 HydrophobicContact CG-CD2 3.93Å; E95-L236 HydrophobicContact CG-CG 4.37Å; E95-K240 WeakPolarHBondContact OE1-CE 3.4Å; E95-K240 IonicContact OE1-NZ 2.76Å; E95-K240 PolarHBondContact OE1-NZ 2.89Å |
| 96 | E | 87.1 | Confident | 85.1 | Confident | 146 Ų | 146 | 71.5 Ų | 71.5 | 68% | 0.682 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.9 | -46.3 | 173.9 | -174.5 | 172.5 | -164.5 | 0 | 0 | 111.8 | T92 L98 I99 E100 | T92-E96 WeakPolarHBondContact O-CB 3.46Å; T92-E96 PolarHBondContact O-N 3.01Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 2.97Å; E96-I99 PolarHBondContact O-N 3.43Å; E96-E100 PolarHBondContact O-N 2.94Å; E96-E100 VanDerWaalsContact O-N 3.1Å |
| 97 | Q | 87.5 | Confident | 85.7 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 29% | 0.29 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.8 | -30.7 | 173.5 | -77.2 | -175.9 | 61.4 | 0 | 0 | 113.3 | E93 R101 L232 | E93-Q97 WeakPolarHBondContact O-CB 3.5Å; E93-Q97 WeakPolarHBondContact O-CG 3.48Å; E93-Q97 PolarHBondContact O-N 2.71Å; E93-Q97 VanDerWaalsContact O-N 3.07Å; Q97-R101 VanDerWaalsContact O-CG 3.25Å; Q97-R101 WeakPolarHBondContact O-CG 3.41Å; Q97-R101 PolarHBondContact O-N 3.2Å; Q97-L232 HydrophobicContact CB-CD1 4.04Å; Q97-L232 HydrophobicContact CB-CD2 4.08Å |
| 98 | L | 86.7 | Confident | 86.5 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 176.1 | -173.6 | 69.8 | 0 | 0 | 0 | 110.7 | V94 E95 E96 R101 C102 V229 L232 E233 L236 | V94-L98 VanDerWaalsContact O-CB 3.29Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 PolarHBondContact O-N 3.18Å; E95-L98 PolarHBondContact O-N 2.81Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 2.97Å; L98-R101 PolarHBondContact O-N 2.93Å; L98-C102 PolarHBondContact O-N 2.98Å; L98-C102 PolarHBondContact O-SG 3.35Å; L98-C102 VanDerWaalsContact O-SG 3.32Å; L98-V229 HydrophobicContact CD1-CB 4.45Å; L98-V229 HydrophobicContact CD1-CG1 3.94Å; L98-V229 HydrophobicContact CD1-CG2 4.38Å; L98-L232 HydrophobicContact CD1-CB 3.88Å; L98-E233 HydrophobicContact CD1-CG 3.84Å; L98-L236 HydrophobicContact CD2-CD2 3.91Å |
| 99 | I | 85.6 | Confident | 87.3 | Confident | 104 Ų | 104 | 74.2 Ų | 74.2 | 53% | 0.533 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -51.4 | 177.1 | -66.7 | 162.4 | 0 | 0 | 0 | 110.5 | E95 E96 R101 C102 D103 | E95-I99 WeakPolarHBondContact O-CG1 3.37Å; E95-I99 PolarHBondContact O-N 3.4Å; E95-I99 VanDerWaalsContact O-N 3.14Å; E96-I99 PolarHBondContact O-N 3.43Å; I99-R101 PolarHBondContact O-N 3.49Å; I99-R101 VanDerWaalsContact O-N 3.13Å; I99-C102 WeakPolarHBondContact O-CB 3.29Å; I99-C102 PolarHBondContact O-N 2.87Å; I99-D103 PolarHBondContact O-N 3.41Å |
| 100 | E | 87 | Confident | 87.4 | Confident | 110 Ų | 110 | 69.8 Ų | 69.8 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -55.5 | -35.7 | 179.9 | -169.4 | -159.6 | -139.4 | 0 | 0 | 112.8 | E96 E104 | E96-E100 PolarHBondContact O-N 2.94Å; E96-E100 VanDerWaalsContact O-N 3.1Å; E100-E104 PolarHBondContact O-N 3.04Å |
| 101 | R | 88.5 | Confident | 87.7 | Confident | 58 Ų | 58 | 69.6 Ų | 69.6 | 22% | 0.219 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -83.8 | -25.6 | 179 | -56.2 | -64.5 | 148.3 | 53.8 | -2 | 113.3 | Q97 L98 I99 I105 V229 L232 | Q97-R101 VanDerWaalsContact O-CG 3.25Å; Q97-R101 WeakPolarHBondContact O-CG 3.41Å; Q97-R101 PolarHBondContact O-N 3.2Å; L98-R101 PolarHBondContact O-N 2.93Å; I99-R101 PolarHBondContact O-N 3.49Å; I99-R101 VanDerWaalsContact O-N 3.13Å; R101-I105 WeakPolarHBondContact O-CB 3.23Å; R101-I105 WeakPolarHBondContact O-CD1 3.3Å; R101-I105 WeakPolarHBondContact O-CG1 3.4Å; R101-I105 PolarHBondContact O-N 2.9Å; R101-V229 HydrophobicContact CB-CG2 3.55Å; R101-L232 HydrophobicContact CG-CD1 4.08Å |
| 102 | C | 86.4 | Confident | 88.1 | Confident | 53 Ų | 53 | 70.6 Ų | 70.6 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 167.1 | -74.8 | 0 | 0 | 0 | 0 | 110.8 | L98 I99 I105 D106 | L98-C102 PolarHBondContact O-N 2.98Å; L98-C102 PolarHBondContact O-SG 3.35Å; L98-C102 VanDerWaalsContact O-SG 3.32Å; I99-C102 WeakPolarHBondContact O-CB 3.29Å; I99-C102 PolarHBondContact O-N 2.87Å; C102-I105 WeakPolarHBondContact O-CB 3.33Å; C102-I105 PolarHBondContact O-N 3.45Å; C102-D106 PolarHBondContact O-N 3.49Å |
| 103 | D | 88.3 | Confident | 88.4 | Confident | 99 Ų | 99 | 71.2 Ų | 71.2 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 175.5 | -64.1 | -18.3 | 0 | 0 | 0 | 111.2 | I99 I105 D106 D107 | I99-D103 PolarHBondContact O-N 3.41Å; D103-I105 VanDerWaalsContact C-N 3.26Å; D103-I105 PolarHBondContact O-N 3.03Å; D103-D106 PolarHBondContact O-N 2.85Å; D103-D106 VanDerWaalsContact O-N 3.12Å; D103-D107 PolarHBondContact O-N 2.96Å |
| 104 | E | 89.3 | Confident | 88.4 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.7 | -36.9 | 174.6 | -160 | -154.3 | -178.2 | 0 | 0 | 112.1 | E100 D106 L108 R221 S225 | E100-E104 PolarHBondContact O-N 3.04Å; E104-D106 VanDerWaalsContact C-N 3.35Å; E104-L108 HydrophobicContact CG-CD1 3.92Å; E104-L108 HydrophobicContact CG-CG 4.47Å; E104-L108 VanDerWaalsContact O-CB 3.23Å; E104-L108 WeakPolarHBondContact O-CB 3.35Å; E104-L108 WeakPolarHBondContact O-CD1 3.35Å; E104-L108 WeakPolarHBondContact O-CG 3.18Å; E104-L108 PolarHBondContact O-N 3.49Å; E104-R221 IonicContact OE1-CZ 2.74Å; E104-R221 IonicContact OE1-NE 2.73Å; E104-R221 IonicContact OE1-NH2 3.85Å; E104-R221 PolarHBondContact OE1-NH2 3.27Å; E104-S225 WeakPolarHBondContact OE2-CB 3.47Å; E104-S225 PolarHBondContact OE2-OG 3.26Å |
| 105 | I | 90 | Very high | 88.5 | Confident | 12 Ų | 12 | 71.6 Ų | 71.6 | 6% | 0.062 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | 176.9 | -80.2 | 168.7 | 0 | 0 | 0 | 111.6 | R101 C102 D103 L108 K109 L222 Q226 V229 | R101-I105 WeakPolarHBondContact O-CB 3.23Å; R101-I105 WeakPolarHBondContact O-CD1 3.3Å; R101-I105 WeakPolarHBondContact O-CG1 3.4Å; R101-I105 PolarHBondContact O-N 2.9Å; C102-I105 WeakPolarHBondContact O-CB 3.33Å; C102-I105 PolarHBondContact O-N 3.45Å; D103-I105 VanDerWaalsContact C-N 3.26Å; D103-I105 PolarHBondContact O-N 3.03Å; I105-L108 PolarHBondContact O-N 2.94Å; I105-K109 HydrophobicContact CG2-CD 4.29Å; I105-K109 VanDerWaalsContact CG2-CE 3.42Å; I105-K109 VanDerWaalsContact O-CG 3.26Å; I105-K109 WeakPolarHBondContact O-CG 3.38Å; I105-K109 PolarHBondContact O-N 3.36Å; I105-L222 HydrophobicContact CB-CD1 4.35Å; I105-L222 HydrophobicContact CG1-CD1 4.3Å; I105-L222 HydrophobicContact CG2-CD1 4Å; I105-Q226 HydrophobicContact CD1-CB 4.41Å; I105-Q226 HydrophobicContact CD1-CG 3.86Å; I105-Q226 HydrophobicContact CG1-CG 4.16Å; I105-V229 HydrophobicContact CD1-CB 4.02Å; I105-V229 HydrophobicContact CD1-CG2 3.48Å; I105-V229 VanDerWaalsContact CD1-CG2 3.48Å |
| 106 | D | 88 | Confident | 88.6 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -76.1 | -38.1 | -179.6 | -78.6 | -2.7 | 0 | 0 | 0 | 112.1 | C102 D103 E104 L108 K109 A110 | C102-D106 PolarHBondContact O-N 3.49Å; D103-D106 PolarHBondContact O-N 2.85Å; D103-D106 VanDerWaalsContact O-N 3.12Å; E104-D106 VanDerWaalsContact C-N 3.35Å; D106-L108 VanDerWaalsContact C-N 3.34Å; D106-L108 PolarHBondContact O-N 3.13Å; D106-K109 PolarHBondContact O-N 2.72Å; D106-K109 WeakPolarHBondContact OD1-CD 3.39Å; D106-K109 WeakPolarHBondContact OD1-CE 3.34Å; D106-K109 IonicContact OD1-NZ 3.65Å; D106-K109 PolarHBondContact OD1-NZ 3.1Å; D106-A110 PolarHBondContact O-N 3.06Å |
| 107 | D | 89.3 | Confident | 88.7 | Confident | 125 Ų | 125 | 70.5 Ų | 70.5 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.7 | -45.2 | 166.5 | -92.3 | -10.8 | 0 | 0 | 0 | 111.6 | D103 K109 A110 E111 | D103-D107 PolarHBondContact O-N 2.96Å; D107-K109 PolarHBondContact O-N 3.38Å; D107-A110 WeakPolarHBondContact O-CB 3.26Å; D107-A110 PolarHBondContact O-N 3.1Å; D107-E111 PolarHBondContact O-N 3.45Å |
| 108 | L | 91.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.5 | -31.7 | 178.5 | -78.7 | 167.1 | 0 | 0 | 0 | 113.3 | E104 I105 D106 R112 V218 R221 L222 | E104-L108 HydrophobicContact CG-CD1 3.92Å; E104-L108 HydrophobicContact CG-CG 4.47Å; E104-L108 VanDerWaalsContact O-CB 3.23Å; E104-L108 WeakPolarHBondContact O-CB 3.35Å; E104-L108 WeakPolarHBondContact O-CD1 3.35Å; E104-L108 WeakPolarHBondContact O-CG 3.18Å; E104-L108 PolarHBondContact O-N 3.49Å; I105-L108 PolarHBondContact O-N 2.94Å; D106-L108 VanDerWaalsContact C-N 3.34Å; D106-L108 PolarHBondContact O-N 3.13Å; L108-R112 WeakPolarHBondContact O-CB 3.48Å; L108-R112 PolarHBondContact O-N 2.82Å; L108-V218 HydrophobicContact CD2-CG1 4.09Å; L108-R221 HydrophobicContact CD1-CB 4.02Å; L108-R221 HydrophobicContact CD2-CB 3.73Å; L108-L222 HydrophobicContact CB-CB 4.16Å; L108-L222 HydrophobicContact CB-CD1 3.91Å |
| 109 | K | 91.5 | Very high | 89 | Confident | 103 Ų | 103 | 70.5 Ų | 70.5 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 169 | -75 | 166.8 | -166.7 | 158.4 | 0 | 110.7 | I105 D106 D107 R112 N113 L222 | I105-K109 HydrophobicContact CG2-CD 4.29Å; I105-K109 VanDerWaalsContact CG2-CE 3.42Å; I105-K109 VanDerWaalsContact O-CG 3.26Å; I105-K109 WeakPolarHBondContact O-CG 3.38Å; I105-K109 PolarHBondContact O-N 3.36Å; D106-K109 PolarHBondContact O-N 2.72Å; D106-K109 WeakPolarHBondContact OD1-CD 3.39Å; D106-K109 WeakPolarHBondContact OD1-CE 3.34Å; D106-K109 IonicContact OD1-NZ 3.65Å; D106-K109 PolarHBondContact OD1-NZ 3.1Å; D107-K109 PolarHBondContact O-N 3.38Å; K109-R112 PolarHBondContact O-N 3.32Å; K109-N113 WeakPolarHBondContact O-CB 3.47Å; K109-N113 PolarHBondContact O-N 3.22Å; K109-L222 HydrophobicContact CG-CD1 4.27Å; K109-L222 HydrophobicContact CG-CD2 4.44Å |
| 110 | A | 88.6 | Confident | 89.2 | Confident | 49 Ų | 49 | 71 Ų | 71 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | D106 D107 R112 N113 N114 | D106-A110 PolarHBondContact O-N 3.06Å; D107-A110 WeakPolarHBondContact O-CB 3.26Å; D107-A110 PolarHBondContact O-N 3.1Å; A110-R112 VanDerWaalsContact C-N 3.3Å; A110-R112 PolarHBondContact O-N 3.43Å; A110-N113 PolarHBondContact O-N 3.29Å; A110-N114 PolarHBondContact O-N 2.9Å; A110-N114 PolarHBondContact O-ND2 2.92Å |
| 111 | E | 89.8 | Confident | 89.2 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.2 | -44.9 | 173.4 | -170.5 | -179.7 | -167.5 | 0 | 0 | 110.8 | D107 N114 M115 V218 R221 | D107-E111 PolarHBondContact O-N 3.45Å; E111-N114 PolarHBondContact O-N 3.16Å; E111-M115 PolarHBondContact O-N 3.41Å; E111-V218 HydrophobicContact CB-CG1 4.05Å; E111-V218 VanDerWaalsContact CD-CG2 3.48Å; E111-V218 HydrophobicContact CG-CG1 4.03Å; E111-V218 HydrophobicContact CG-CG2 3.9Å; E111-R221 IonicContact OE2-NH1 2.83Å |
| 112 | R | 90.5 | Very high | 89.4 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 15% | 0.147 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 177.9 | -157.9 | -177 | -176.5 | 176.6 | 6.7 | 113 | L108 K109 A110 N114 M115 K116 D215 V218 H219 | L108-R112 WeakPolarHBondContact O-CB 3.48Å; L108-R112 PolarHBondContact O-N 2.82Å; K109-R112 PolarHBondContact O-N 3.32Å; A110-R112 VanDerWaalsContact C-N 3.3Å; A110-R112 PolarHBondContact O-N 3.43Å; R112-N114 VanDerWaalsContact C-N 3.32Å; R112-N114 PolarHBondContact O-N 3.4Å; R112-M115 PolarHBondContact O-N 2.89Å; R112-K116 PolarHBondContact O-N 3.35Å; R112-D215 WeakPolarHBondContact CG-OD1 3.44Å; R112-D215 IonicContact CZ-OD1 3.69Å; R112-D215 IonicContact CZ-OD2 3.13Å; R112-D215 IonicContact NE-OD1 3.96Å; R112-D215 PolarHBondContact NE-OD1 3.36Å; R112-D215 IonicContact NE-OD2 2.64Å; R112-D215 PolarHBondContact NE-OD2 3.22Å; R112-D215 IonicContact NH2-OD1 2.69Å; R112-D215 IonicContact NH2-OD2 3.22Å; R112-D215 PolarHBondContact NH2-OD2 2.86Å; R112-V218 HydrophobicContact CB-CG1 3.92Å; R112-V218 HydrophobicContact CG-CG1 4.41Å; R112-H219 VanDerWaalsContact CZ-CG 3.49Å; R112-H219 PolarHBondContact NH1-CD2 3.35Å; R112-H219 PolarHBondContact NH1-CE1 3.16Å; R112-H219 PolarHBondContact NH1-ND1 2.77Å; R112-H219 PolarHBondContact NH1-NE2 3.03Å; R112-H219 PolarHBondContact NH2-CD2 3.08Å |
| 113 | N | 89.7 | Confident | 89.6 | Confident | 94 Ų | 94 | 70.6 Ų | 70.6 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 178.1 | -168.6 | 51.3 | 0 | 0 | 0 | 111.2 | K109 A110 M115 K116 I117 | K109-N113 WeakPolarHBondContact O-CB 3.47Å; K109-N113 PolarHBondContact O-N 3.22Å; A110-N113 PolarHBondContact O-N 3.29Å; N113-M115 VanDerWaalsContact C-N 3.34Å; N113-M115 PolarHBondContact O-N 3.49Å; N113-K116 PolarHBondContact O-N 2.86Å; N113-I117 WeakPolarHBondContact O-CG1 3.35Å; N113-I117 PolarHBondContact O-N 3.5Å; N113-I117 VanDerWaalsContact O-N 3.15Å |
| 114 | N | 88.4 | Confident | 89.6 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 56% | 0.561 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.8 | -40.4 | 174.7 | -67 | -26.8 | 0 | 0 | 0 | 112 | A110 E111 R112 I117 L118 | A110-N114 PolarHBondContact O-N 2.9Å; A110-N114 PolarHBondContact O-ND2 2.92Å; E111-N114 PolarHBondContact O-N 3.16Å; R112-N114 VanDerWaalsContact C-N 3.32Å; R112-N114 PolarHBondContact O-N 3.4Å; N114-I117 PolarHBondContact O-N 3.08Å; N114-L118 WeakPolarHBondContact O-CB 3.21Å; N114-L118 PolarHBondContact O-N 3.37Å; N114-L118 VanDerWaalsContact O-N 3.11Å |
| 115 | M | 89.3 | Confident | 89.6 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -39 | 176.7 | -162 | 65 | 62.4 | 0 | 0 | 112.6 | E111 R112 N113 L118 L119 H211 L214 D215 | E111-M115 PolarHBondContact O-N 3.41Å; R112-M115 PolarHBondContact O-N 2.89Å; N113-M115 VanDerWaalsContact C-N 3.34Å; N113-M115 PolarHBondContact O-N 3.49Å; M115-L118 PolarHBondContact O-N 3.49Å; M115-L119 HydrophobicContact CG-CD1 4.39Å; M115-L119 WeakPolarHBondContact O-CB 3.29Å; M115-L119 WeakPolarHBondContact O-CG 3.5Å; M115-L119 PolarHBondContact O-N 2.94Å; M115-H211 HydrophobicContact SD-CB 4.05Å; M115-H211 PolarHBondContact SD-ND1 3.02Å; M115-L214 HydrophobicContact CE-CB 3.69Å; M115-L214 HydrophobicContact CE-CD1 4.27Å; M115-L214 HydrophobicContact SD-CB 3.96Å; M115-D215 HydrophobicContact CB-CB 4.49Å; M115-D215 HydrophobicContact CG-CB 3.71Å |
| 116 | K | 88.8 | Confident | 89.6 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 39% | 0.387 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.6 | -75.9 | -169.8 | 173.4 | -158.7 | 0 | 112.6 | R112 N113 L118 L119 E120 | R112-K116 PolarHBondContact O-N 3.35Å; N113-K116 PolarHBondContact O-N 2.86Å; K116-L118 VanDerWaalsContact C-N 3.28Å; K116-L118 PolarHBondContact O-N 2.94Å; K116-L119 PolarHBondContact O-N 3.33Å; K116-E120 PolarHBondContact O-N 2.98Å |
| 117 | I | 87.7 | Confident | 89.6 | Confident | 97 Ų | 97 | 66.6 Ų | 66.6 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 177.9 | -64.9 | 164.5 | 0 | 0 | 0 | 110.5 | N113 N114 E120 H121 | N113-I117 WeakPolarHBondContact O-CG1 3.35Å; N113-I117 PolarHBondContact O-N 3.5Å; N113-I117 VanDerWaalsContact O-N 3.15Å; N114-I117 PolarHBondContact O-N 3.08Å; I117-E120 PolarHBondContact O-N 3.23Å; I117-H121 PolarHBondContact O-N 2.96Å |
| 118 | L | 90.6 | Very high | 89.3 | Confident | 68 Ų | 68 | 69.1 Ų | 69.1 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 176.1 | -178.4 | 56.1 | 0 | 0 | 0 | 112.6 | N114 M115 K116 H121 L122 H211 | N114-L118 WeakPolarHBondContact O-CB 3.21Å; N114-L118 PolarHBondContact O-N 3.37Å; N114-L118 VanDerWaalsContact O-N 3.11Å; M115-L118 PolarHBondContact O-N 3.49Å; K116-L118 VanDerWaalsContact C-N 3.28Å; K116-L118 PolarHBondContact O-N 2.94Å; L118-H121 PolarHBondContact O-N 3.36Å; L118-L122 HydrophobicContact CD1-CD1 4.19Å; L118-L122 HydrophobicContact CD1-CG 4.28Å; L118-L122 HydrophobicContact CG-CD1 4.1Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 VanDerWaalsContact O-CG 3.29Å; L118-L122 WeakPolarHBondContact O-CG 3.38Å; L118-L122 PolarHBondContact O-N 3Å; L118-H211 VanDerWaalsContact CD2-CE1 3.42Å; L118-H211 WeakPolarHBondContact CD2-CE1 3.39Å; L118-H211 WeakPolarHBondContact CD2-ND1 3.41Å |
| 119 | L | 91.7 | Very high | 89.1 | Confident | 25 Ų | 25 | 71.6 Ų | 71.6 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 175.2 | -79.1 | 169.1 | 0 | 0 | 0 | 112.5 | M115 K116 H121 L122 E123 F208 H211 K212 D215 | M115-L119 HydrophobicContact CG-CD1 4.39Å; M115-L119 WeakPolarHBondContact O-CB 3.29Å; M115-L119 WeakPolarHBondContact O-CG 3.5Å; M115-L119 PolarHBondContact O-N 2.94Å; K116-L119 PolarHBondContact O-N 3.33Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.86Å; L119-L122 PolarHBondContact O-N 3.3Å; L119-E123 WeakPolarHBondContact O-CB 3.47Å; L119-E123 PolarHBondContact O-N 3.49Å; L119-F208 HydrophobicContact CD2-CD2 3.83Å; L119-F208 HydrophobicContact CD2-CE2 3.79Å; L119-F208 HydrophobicContact CD2-CZ 4.46Å; L119-H211 HydrophobicContact CD2-CB 3.89Å; L119-H211 HydrophobicContact CG-CB 4.37Å; L119-K212 HydrophobicContact CD2-CB 4.09Å; L119-D215 HydrophobicContact CD1-CB 3.89Å |
| 120 | E | 88.7 | Confident | 88.9 | Confident | 115 Ų | 115 | 69 Ų | 69 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 174.7 | -164.8 | -155.9 | 145 | 0 | 0 | 111.3 | K116 I117 N124 | K116-E120 PolarHBondContact O-N 2.98Å; I117-E120 PolarHBondContact O-N 3.23Å; E120-N124 WeakPolarHBondContact O-CB 3.27Å; E120-N124 PolarHBondContact O-N 3.35Å; E120-N124 PolarHBondContact O-ND2 3.38Å |
| 121 | H | 87.8 | Confident | 88.6 | Confident | 120 Ų | 120 | 73.6 Ų | 73.6 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64 | -44.4 | 175.9 | -170.5 | 91.3 | 0 | 0 | 0 | 111.9 | I117 L118 L119 N124 L125 | I117-H121 PolarHBondContact O-N 2.96Å; L118-H121 PolarHBondContact O-N 3.36Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.86Å; H121-N124 PolarHBondContact O-N 3.43Å; H121-L125 WeakPolarHBondContact O-CB 3.35Å; H121-L125 PolarHBondContact O-N 3.3Å |
| 122 | L | 92.2 | Very high | 88.2 | Confident | 7 Ų | 7 | 72.2 Ų | 72.2 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 178.2 | -73.7 | 171 | 0 | 0 | 0 | 112.4 | L118 L119 L125 V126 L207 F208 H211 | L118-L122 HydrophobicContact CD1-CD1 4.19Å; L118-L122 HydrophobicContact CD1-CG 4.28Å; L118-L122 HydrophobicContact CG-CD1 4.1Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 VanDerWaalsContact O-CG 3.29Å; L118-L122 WeakPolarHBondContact O-CG 3.38Å; L118-L122 PolarHBondContact O-N 3Å; L119-L122 PolarHBondContact O-N 3.3Å; L122-L125 PolarHBondContact O-N 2.83Å; L122-V126 WeakPolarHBondContact O-CB 3.36Å; L122-V126 WeakPolarHBondContact O-CG2 3.5Å; L122-V126 PolarHBondContact O-N 3.09Å; L122-L207 HydrophobicContact CD1-CG 4.18Å; L122-L207 HydrophobicContact CD2-CD2 3.78Å; L122-L207 HydrophobicContact CD2-CG 4.14Å; L122-F208 HydrophobicContact CB-CB 4.39Å; L122-F208 HydrophobicContact CB-CD2 3.86Å; L122-H211 HydrophobicContact CD1-CB 4.21Å |
| 123 | E | 90.7 | Very high | 87.8 | Confident | 84 Ų | 84 | 71.1 Ų | 71.1 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 173.6 | -173.1 | 179.7 | 167 | 0 | 0 | 110.8 | L119 L125 V126 A127 F208 | L119-E123 WeakPolarHBondContact O-CB 3.47Å; L119-E123 PolarHBondContact O-N 3.49Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 2.72Å; E123-V126 PolarHBondContact O-N 2.8Å; E123-A127 VanDerWaalsContact O-CB 3.27Å; E123-A127 WeakPolarHBondContact O-CB 3.43Å; E123-A127 PolarHBondContact O-N 2.86Å; E123-F208 HydrophobicContact CB-CE2 3.88Å |
| 124 | N | 87.7 | Confident | 87.3 | Confident | 71 Ų | 71 | 71.4 Ų | 71.4 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.6 | -41 | 174.6 | -88.7 | -74.5 | 0 | 0 | 0 | 112 | E120 H121 A127 R128 | E120-N124 WeakPolarHBondContact O-CB 3.27Å; E120-N124 PolarHBondContact O-N 3.35Å; E120-N124 PolarHBondContact O-ND2 3.38Å; H121-N124 PolarHBondContact O-N 3.43Å; N124-A127 PolarHBondContact O-N 3Å; N124-R128 WeakPolarHBondContact O-CB 3.3Å; N124-R128 VanDerWaalsContact O-CG 3.23Å; N124-R128 WeakPolarHBondContact O-CG 3.41Å; N124-R128 PolarHBondContact O-N 3.33Å |
| 125 | L | 88.7 | Confident | 86.5 | Confident | 54 Ų | 54 | 72 Ų | 72 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.3 | -41.3 | -179.7 | -168 | 59.6 | 0 | 0 | 0 | 112.2 | H121 L122 E123 R128 H129 L204 | H121-L125 WeakPolarHBondContact O-CB 3.35Å; H121-L125 PolarHBondContact O-N 3.3Å; L122-L125 PolarHBondContact O-N 2.83Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 2.72Å; L125-R128 PolarHBondContact O-N 2.83Å; L125-H129 PolarHBondContact O-N 3.06Å; L125-H129 PolarHBondContact O-ND1 3.21Å; L125-L204 HydrophobicContact CD2-CD2 3.66Å; L125-L204 HydrophobicContact CG-CD1 4.16Å; L125-L204 HydrophobicContact CG-CD2 4.12Å |
| 126 | V | 89.8 | Confident | 85.9 | Confident | 19 Ų | 19 | 73 Ų | 73 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 171.6 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | L122 E123 R128 H129 E130 L201 L204 K205 | L122-V126 WeakPolarHBondContact O-CB 3.36Å; L122-V126 WeakPolarHBondContact O-CG2 3.5Å; L122-V126 PolarHBondContact O-N 3.09Å; E123-V126 PolarHBondContact O-N 2.8Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 3.14Å; V126-H129 PolarHBondContact O-N 3.37Å; V126-E130 WeakPolarHBondContact O-CB 3.29Å; V126-E130 PolarHBondContact O-N 3.22Å; V126-L201 HydrophobicContact CG1-CD1 4.48Å; V126-L204 HydrophobicContact CG2-CB 3.76Å; V126-K205 HydrophobicContact CG1-CD 4.3Å; V126-K205 VanDerWaalsContact CG1-CE 3.47Å; V126-K205 HydrophobicContact CG1-CG 3.79Å; V126-K205 HydrophobicContact CG2-CG 4.15Å |
| 127 | A | 88.3 | Confident | 85.1 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 26% | 0.256 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E123 N124 K131 | E123-A127 VanDerWaalsContact O-CB 3.27Å; E123-A127 WeakPolarHBondContact O-CB 3.43Å; E123-A127 PolarHBondContact O-N 2.86Å; N124-A127 PolarHBondContact O-N 3Å; A127-K131 VanDerWaalsContact O-CB 3.27Å; A127-K131 WeakPolarHBondContact O-CB 3.34Å; A127-K131 PolarHBondContact O-N 3.1Å |
| 128 | R | 83.8 | Confident | 84.4 | Confident | 179 Ų | 179 | 70.5 Ų | 70.5 | 68% | 0.675 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.5 | -47.6 | 172.9 | -74.9 | 172.9 | -170.9 | -153.2 | 5.5 | 111.8 | N124 L125 V126 K131 S132 | N124-R128 WeakPolarHBondContact O-CB 3.3Å; N124-R128 VanDerWaalsContact O-CG 3.23Å; N124-R128 WeakPolarHBondContact O-CG 3.41Å; N124-R128 PolarHBondContact O-N 3.33Å; L125-R128 PolarHBondContact O-N 2.83Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 3.14Å; R128-K131 PolarHBondContact O-N 2.93Å; R128-S132 PolarHBondContact O-N 2.72Å |
| 129 | H | 87.9 | Confident | 83.3 | Confident | 53 Ų | 53 | 74.4 Ų | 74.4 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 178.4 | -77.4 | 84.6 | 0 | 0 | 0 | 112.6 | L125 V126 K131 S132 L133 L201 L204 | L125-H129 PolarHBondContact O-N 3.06Å; L125-H129 PolarHBondContact O-ND1 3.21Å; V126-H129 PolarHBondContact O-N 3.37Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 PolarHBondContact O-N 2.92Å; H129-S132 WeakPolarHBondContact O-CB 3.42Å; H129-S132 PolarHBondContact O-N 3.31Å; H129-L133 PolarHBondContact O-N 3.42Å; H129-L201 HydrophobicContact CB-CD1 3.73Å; H129-L204 HydrophobicContact CB-CD1 4.23Å; H129-L204 VanDerWaalsContact ND1-CD1 3.35Å; H129-L204 WeakPolarHBondContact ND1-CD1 3.17Å |
| 130 | E | 86.1 | Confident | 81.8 | Confident | 49 Ų | 49 | 78.6 Ų | 78.6 | 23% | 0.229 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.1 | -35.3 | 176.4 | -154.5 | -174.7 | 114.7 | 0 | 0 | 111.7 | V126 R134 L201 K205 | V126-E130 WeakPolarHBondContact O-CB 3.29Å; V126-E130 PolarHBondContact O-N 3.22Å; E130-R134 WeakPolarHBondContact O-CB 3.37Å; E130-R134 VanDerWaalsContact O-CD 3.27Å; E130-R134 WeakPolarHBondContact O-CD 3.39Å; E130-R134 WeakPolarHBondContact O-CG 3.34Å; E130-R134 PolarHBondContact O-N 3.48Å; E130-R134 IonicContact OE1-CZ 3.97Å; E130-R134 IonicContact OE1-NE 2.73Å; E130-R134 PolarHBondContact OE1-NE 3.5Å; E130-R134 IonicContact OE1-NH2 3.74Å; E130-R134 PolarHBondContact OE1-NH2 3.17Å; E130-L201 HydrophobicContact CB-CD1 4.02Å; E130-L201 HydrophobicContact CG-CD2 4.27Å; E130-K205 IonicContact OE2-NZ 2.79Å; E130-K205 PolarHBondContact OE2-NZ 2.62Å |
| 131 | K | 83.1 | Confident | 80.3 | Confident | 145 Ų | 145 | 79.3 Ų | 79.3 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.6 | -38.3 | 171 | -173.3 | 177.9 | 177.8 | -177.7 | 0 | 111.9 | A127 R128 H129 M135 | A127-K131 VanDerWaalsContact O-CB 3.27Å; A127-K131 WeakPolarHBondContact O-CB 3.34Å; A127-K131 PolarHBondContact O-N 3.1Å; R128-K131 PolarHBondContact O-N 2.93Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 PolarHBondContact O-N 2.92Å; K131-M135 WeakPolarHBondContact O-CB 3.35Å; K131-M135 VanDerWaalsContact O-CG 3.31Å; K131-M135 WeakPolarHBondContact O-CG 3.37Å; K131-M135 PolarHBondContact O-N 2.83Å |
| 132 | S | 80.1 | Confident | 78.6 | Confident | 51 Ų | 51 | 77.2 Ų | 77.2 | 36% | 0.357 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.2 | -58.7 | 172.7 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | R128 H129 R134 M135 T136 E197 | R128-S132 PolarHBondContact O-N 2.72Å; H129-S132 WeakPolarHBondContact O-CB 3.42Å; H129-S132 PolarHBondContact O-N 3.31Å; S132-R134 VanDerWaalsContact C-N 3.3Å; S132-R134 PolarHBondContact O-N 2.79Å; S132-M135 CarbonylContact O-C 3.47Å; S132-M135 WeakPolarHBondContact O-CA 3.32Å; S132-M135 PolarHBondContact O-N 2.69Å; S132-T136 PolarHBondContact O-N 3.26Å; S132-T136 PolarHBondContact O-OG1 2.98Å; S132-E197 VanDerWaalsContact CB-OE1 3.24Å; S132-E197 WeakPolarHBondContact CB-OE1 3.42Å; S132-E197 PolarHBondContact OG-OE1 2.92Å |
| 133 | L | 82.9 | Confident | 76.6 | Confident | 17 Ų | 17 | 80.8 Ų | 80.8 | 9% | 0.089 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -51.5 | -47.3 | 177.1 | -81.2 | 162.9 | 0 | 0 | 0 | 112.4 | H129 M135 T136 V137 E197 V198 L201 | H129-L133 PolarHBondContact O-N 3.42Å; L133-M135 PolarHBondContact O-N 2.67Å; L133-T136 PolarHBondContact O-N 3.45Å; L133-V137 WeakPolarHBondContact O-CB 3.21Å; L133-V137 VanDerWaalsContact O-CG2 3.26Å; L133-V137 WeakPolarHBondContact O-CG2 3.49Å; L133-V137 PolarHBondContact O-N 2.88Å; L133-E197 HydrophobicContact CD1-CG 4.47Å; L133-E197 HydrophobicContact CD2-CB 3.78Å; L133-E197 HydrophobicContact CD2-CG 3.62Å; L133-E197 WeakPolarHBondContact CD2-OE2 3.49Å; L133-E197 HydrophobicContact CG-CB 4.41Å; L133-E197 HydrophobicContact CG-CG 3.75Å; L133-E197 PolarHBondContact N-OE1 3.07Å; L133-V198 HydrophobicContact CD1-CG2 4.38Å; L133-V198 HydrophobicContact CD2-CG2 3.79Å; L133-L201 HydrophobicContact CD1-CB 3.89Å; L133-L201 HydrophobicContact CD1-CD1 4.31Å; L133-L201 HydrophobicContact CD1-CD2 3.73Å; L133-L201 HydrophobicContact CD1-CG 4.17Å |
| 134 | R | 78.7 | Confident | 74.7 | Confident | 100 Ų | 100 | 81.8 Ų | 81.8 | 38% | 0.377 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 177.4 | -72.5 | 163.3 | 176.1 | -119 | 10.7 | 112 | E130 S132 V138 | E130-R134 WeakPolarHBondContact O-CB 3.37Å; E130-R134 VanDerWaalsContact O-CD 3.27Å; E130-R134 WeakPolarHBondContact O-CD 3.39Å; E130-R134 WeakPolarHBondContact O-CG 3.34Å; E130-R134 PolarHBondContact O-N 3.48Å; E130-R134 IonicContact OE1-CZ 3.97Å; E130-R134 IonicContact OE1-NE 2.73Å; E130-R134 PolarHBondContact OE1-NE 3.5Å; E130-R134 IonicContact OE1-NH2 3.74Å; E130-R134 PolarHBondContact OE1-NH2 3.17Å; S132-R134 VanDerWaalsContact C-N 3.3Å; S132-R134 PolarHBondContact O-N 2.79Å; R134-V138 WeakPolarHBondContact O-CB 3.47Å; R134-V138 VanDerWaalsContact O-CG2 3.24Å; R134-V138 WeakPolarHBondContact O-CG2 3.23Å; R134-V138 PolarHBondContact O-N 3.21Å |
| 135 | M | 72.4 | Confident | 72.6 | Confident | 116 Ų | 116 | 81.9 Ų | 81.9 | 57% | 0.571 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -70.2 | -40.3 | 175.6 | -72 | -58 | -56.7 | 0 | 0 | 112.6 | K131 S132 L133 V138 K139 | K131-M135 WeakPolarHBondContact O-CB 3.35Å; K131-M135 VanDerWaalsContact O-CG 3.31Å; K131-M135 WeakPolarHBondContact O-CG 3.37Å; K131-M135 PolarHBondContact O-N 2.83Å; S132-M135 CarbonylContact O-C 3.47Å; S132-M135 WeakPolarHBondContact O-CA 3.32Å; S132-M135 PolarHBondContact O-N 2.69Å; L133-M135 PolarHBondContact O-N 2.67Å; M135-V138 PolarHBondContact O-N 3.4Å; M135-K139 VanDerWaalsContact O-CB 3.26Å; M135-K139 WeakPolarHBondContact O-CB 3.49Å; M135-K139 PolarHBondContact O-N 2.87Å |
| 136 | T | 76.8 | Confident | 70.3 | Confident | 42 Ų | 42 | 87.5 Ų | 87.5 | 26% | 0.258 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 175.9 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | S132 L133 R140 | S132-T136 PolarHBondContact O-N 3.26Å; S132-T136 PolarHBondContact O-OG1 2.98Å; L133-T136 PolarHBondContact O-N 3.45Å; T136-R140 PolarHBondContact O-N 2.9Å; T136-R140 VanDerWaalsContact O-N 3.16Å |
| 137 | V | 72.1 | Confident | 67.9 | Low | 57 Ų | 57 | 90.9 Ų | 90.9 | 35% | 0.345 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -49.6 | 174.2 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | L133 K139 R140 H141 | L133-V137 WeakPolarHBondContact O-CB 3.21Å; L133-V137 VanDerWaalsContact O-CG2 3.26Å; L133-V137 WeakPolarHBondContact O-CG2 3.49Å; L133-V137 PolarHBondContact O-N 2.88Å; V137-K139 VanDerWaalsContact C-N 3.34Å; V137-K139 PolarHBondContact O-N 3.08Å; V137-R140 PolarHBondContact O-N 3.37Å; V137-H141 WeakPolarHBondContact CG1-NE2 3.3Å; V137-H141 PolarHBondContact O-CD2 3.26Å; V137-H141 PolarHBondContact O-N 3.48Å |
| 138 | V | 72.4 | Confident | 65.4 | Low | 78 Ų | 78 | 96 Ų | 96 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 176.4 | 166.4 | 0 | 0 | 0 | 0 | 111.5 | R134 M135 R140 H141 T142 | R134-V138 WeakPolarHBondContact O-CB 3.47Å; R134-V138 VanDerWaalsContact O-CG2 3.24Å; R134-V138 WeakPolarHBondContact O-CG2 3.23Å; R134-V138 PolarHBondContact O-N 3.21Å; M135-V138 PolarHBondContact O-N 3.4Å; V138-R140 VanDerWaalsContact C-N 3.35Å; V138-R140 PolarHBondContact O-N 2.82Å; V138-H141 PolarHBondContact O-N 2.77Å; V138-H141 VanDerWaalsContact O-N 3.17Å; V138-T142 PolarHBondContact O-N 2.97Å; V138-T142 PolarHBondContact O-OG1 2.83Å |
| 139 | K | 67.9 | Low | 62.9 | Low | 149 Ų | 149 | 92.9 Ų | 92.9 | 65% | 0.648 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | -179.7 | -167.2 | 171.7 | -177.2 | 179.9 | 0 | 111.5 | M135 V137 T142 S143 | M135-K139 VanDerWaalsContact O-CB 3.26Å; M135-K139 WeakPolarHBondContact O-CB 3.49Å; M135-K139 PolarHBondContact O-N 2.87Å; V137-K139 VanDerWaalsContact C-N 3.34Å; V137-K139 PolarHBondContact O-N 3.08Å; K139-T142 WeakPolarHBondContact CA-OG1 3.48Å; K139-T142 PolarHBondContact O-N 3.38Å; K139-T142 PolarHBondContact O-OG1 3.45Å; K139-S143 PolarHBondContact O-N 3.4Å; K139-S143 PolarHBondContact O-OG 3.31Å |
| 140 | R | 59.1 | Low | 60.5 | Low | 114 Ų | 114 | 96.4 Ų | 96.4 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 172.3 | -72.2 | -166.2 | -175.2 | 106.2 | -5.5 | 112.3 | T136 V137 V138 T142 S143 T144 G193 L194 | T136-R140 PolarHBondContact O-N 2.9Å; T136-R140 VanDerWaalsContact O-N 3.16Å; V137-R140 PolarHBondContact O-N 3.37Å; V138-R140 VanDerWaalsContact C-N 3.35Å; V138-R140 PolarHBondContact O-N 2.82Å; R140-T142 VanDerWaalsContact C-N 3.31Å; R140-T142 PolarHBondContact O-N 2.92Å; R140-S143 PolarHBondContact O-N 3.18Å; R140-S143 VanDerWaalsContact O-N 3.1Å; R140-T144 PolarHBondContact O-N 2.85Å; R140-T144 PolarHBondContact O-OG1 3.18Å; R140-T144 VanDerWaalsContact O-OG1 3.14Å; R140-G193 PolarHBondContact NH2-O 2.8Å; R140-L194 VanDerWaalsContact NH1-CD2 3.25Å; R140-L194 VanDerWaalsContact NH1-CG 3.32Å |
| 141 | H | 58.5 | Low | 58.1 | Low | 129 Ų | 129 | 101.8 Ų | 101.8 | 60% | 0.597 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.1 | -39.9 | 176.3 | -70.7 | -57.4 | 0 | 0 | 0 | 112.6 | V137 V138 T144 A145 | V137-H141 WeakPolarHBondContact CG1-NE2 3.3Å; V137-H141 PolarHBondContact O-CD2 3.26Å; V137-H141 PolarHBondContact O-N 3.48Å; V138-H141 PolarHBondContact O-N 2.77Å; V138-H141 VanDerWaalsContact O-N 3.17Å; H141-T144 PolarHBondContact O-N 3.43Å; H141-A145 WeakPolarHBondContact O-CB 3.43Å; H141-A145 PolarHBondContact O-N 3.02Å; H141-A145 VanDerWaalsContact O-N 3.11Å |
| 142 | T | 51.1 | Low | 55.8 | Low | 76 Ų | 76 | 99.5 Ų | 99.5 | 47% | 0.466 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.1 | -37.4 | 174 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | V138 K139 R140 A145 | V138-T142 PolarHBondContact O-N 2.97Å; V138-T142 PolarHBondContact O-OG1 2.83Å; K139-T142 WeakPolarHBondContact CA-OG1 3.48Å; K139-T142 PolarHBondContact O-N 3.38Å; K139-T142 PolarHBondContact O-OG1 3.45Å; R140-T142 VanDerWaalsContact C-N 3.31Å; R140-T142 PolarHBondContact O-N 2.92Å; T142-A145 PolarHBondContact O-N 2.64Å |
| 143 | S | 51.1 | Low | 53.7 | Low | 83 Ų | 83 | 104.1 Ų | 104.1 | 58% | 0.58 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.5 | -37 | 176.4 | -66.1 | 0 | 0 | 0 | 0 | 113 | K139 R140 A145 | K139-S143 PolarHBondContact O-N 3.4Å; K139-S143 PolarHBondContact O-OG 3.31Å; R140-S143 PolarHBondContact O-N 3.18Å; R140-S143 VanDerWaalsContact O-N 3.1Å; S143-A145 VanDerWaalsContact C-N 3.31Å |
| 144 | T | 50.9 | Low | 51.4 | Low | 105 Ų | 105 | 110.5 Ų | 110.5 | 64% | 0.644 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.7 | -23.2 | 174.8 | -49.9 | 0 | 0 | 0 | 0 | 112.7 | R140 H141 | R140-T144 PolarHBondContact O-N 2.85Å; R140-T144 PolarHBondContact O-OG1 3.18Å; R140-T144 VanDerWaalsContact O-OG1 3.14Å; H141-T144 PolarHBondContact O-N 3.43Å |
| 145 | A | 43.6 | Very low | 49.2 | Very low | 72 Ų | 72 | 112 Ų | 112 | 60% | 0.595 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.4 | -15.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H141 T142 S143 | H141-A145 WeakPolarHBondContact O-CB 3.43Å; H141-A145 PolarHBondContact O-N 3.02Å; H141-A145 VanDerWaalsContact O-N 3.11Å; T142-A145 PolarHBondContact O-N 2.64Å; S143-A145 VanDerWaalsContact C-N 3.31Å |
| 146 | M | 39 | Very low | 47.4 | Very low | 173 Ų | 173 | 110.5 Ų | 110.5 | 85% | 0.852 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 6.5 | -173.6 | -72.7 | -163 | 149.2 | 0 | 0 | 115.5 | ||
| 147 | S | 41.1 | Very low | 45.4 | Very low | 90 Ų | 90 | 112.3 Ų | 112.3 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -97.1 | 0 | 179.4 | 66.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 148 | N | 35.9 | Very low | 43.5 | Very low | 138 Ų | 138 | 115.8 Ų | 115.8 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | trans | -130.3 | 96 | -177.9 | -76.6 | -28.6 | 0 | 0 | 0 | 110.7 | ||||
| 149 | S | 30.8 | Very low | 41.6 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -156.3 | 71.9 | 176.5 | -80.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 150 | T | 36.4 | Very low | 40.2 | Very low | 126 Ų | 126 | 118.2 Ų | 118.2 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -138.7 | 89.6 | 164.9 | 54 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 151 | N | 36.8 | Very low | 38.9 | Very low | 162 Ų | 162 | 120.9 Ų | 120.9 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | trans | 163 | 123.4 | 130.2 | -81.6 | -23.7 | 0 | 0 | 0 | 114.5 | ||||
| 152 | S | 35.2 | Very low | 37.8 | Very low | 98 Ų | 98 | 118.4 Ų | 118.4 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | 68.8 | 89.3 | 132.9 | -165.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 153 | L | 34.4 | Very low | 36.9 | Very low | 148 Ų | 148 | 124 Ų | 124 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | 84 | 138.5 | 122.9 | -96.5 | 66.4 | 0 | 0 | 0 | 123.4 | |||||
| 154 | I | 35.2 | Very low | 36.2 | Very low | 151 Ų | 151 | 127 Ų | 127 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | trans | 77.3 | 110.6 | 153.3 | -60.6 | 158.7 | 0 | 0 | 0 | 118.2 | ||||
| 155 | P | 33.6 | Very low | 35.3 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -107.2 | 153.9 | 170.1 | 38.6 | -31.3 | 0 | 0 | 0 | 114.2 | ||||
| 156 | G | 33.1 | Very low | 34.9 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 147.9 | 142.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 157 | G | 34.4 | Very low | 34.6 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | 142.2 | 74.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 158 | T | 33.7 | Very low | 34.2 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | -34.7 | 139.6 | 168.6 | 45.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 159 | M | 32.5 | Very low | 34.2 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | 59.6 | 113.3 | 131.9 | -55.3 | -73 | -71.3 | 0 | 0 | 120.8 | ||||
| 160 | A | 37.5 | Very low | 34.3 | Very low | 101 Ų | 101 | 129 Ų | 129 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -167.8 | 151.1 | 136.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 161 | D | 32 | Very low | 34.3 | Very low | 170 Ų | 170 | 131.2 Ų | 131.2 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -82.2 | 157.3 | 174.8 | -53.4 | -83.4 | 0 | 0 | 0 | 112.5 | ||||
| 162 | G | 35 | Very low | 34.1 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -179 | 114 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 163 | E | 32.3 | Very low | 33.9 | Very low | 192 Ų | 192 | 130.1 Ų | 130.1 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | -79 | 145.5 | 169 | -58.5 | 173.1 | 120.1 | 0 | 0 | 110.7 | ||||
| 164 | T | 36.9 | Very low | 33.9 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -159.7 | 143.9 | 147.3 | -9.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 165 | V | 32.4 | Very low | 33.8 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -110.4 | 149.3 | 179.6 | 171.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 166 | C | 34.6 | Very low | 34.1 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -160.3 | 114.1 | 151 | -109.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 167 | S | 33.5 | Very low | 34.2 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | 35 | 148.8 | 120 | -72.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 168 | E | 31.9 | Very low | 34 | Very low | 155 Ų | 155 | 137 Ų | 137 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | cis | -178.5 | 175.6 | -10.4 | -160.5 | 160.4 | 144 | 0 | 0 | 110.8 | ||||
| 169 | M | 36.3 | Very low | 34 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | 94.3 | 121.1 | 144.3 | -156.6 | 153.6 | -76.1 | 0 | 0 | 120.3 | ||||
| 170 | D | 31.8 | Very low | 34 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 41% | 0.406 | 78% | 0.783 | S | S | . | * | trans | -86.9 | 152.4 | 176.6 | -35.5 | -112.9 | 0 | 0 | 0 | 113.5 | F1705 L1706 | D170-F1705 HydrophobicContact CB-CE1 4.27Å; D170-L1706 WeakPolarHBondContact OD2-CD2 3.17Å | ||
| 171 | I | 36.9 | Very low | 33.9 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -139.3 | 132.1 | 144.3 | -60.9 | -172.4 | 0 | 0 | 0 | 111.7 | ||||
| 172 | L | 32.6 | Very low | 33.9 | Very low | 102 Ų | 102 | 135 Ų | 135 | 53% | 0.534 | 78% | 0.778 | S | S | . | * | trans | -51 | 155.3 | -178.9 | -68.8 | 158.4 | 0 | 0 | 0 | 120.2 | F1705 | L172-F1705 HydrophobicContact CD1-CE2 4.39Å; L172-F1705 HydrophobicContact CD1-CZ 4.02Å; L172-F1705 HydrophobicContact CD2-CE2 3.84Å; L172-F1705 HydrophobicContact CD2-CZ 3.64Å; L172-F1705 HydrophobicContact CG-CE2 4.39Å; L172-F1705 HydrophobicContact CG-CZ 3.81Å | ||
| 173 | N | 30.7 | Very low | 33.9 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 37 | 121.9 | 136.4 | -58.8 | -11.9 | 0 | 0 | 0 | 121.1 | ||||
| 174 | S | 35.3 | Very low | 34.2 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | -174.2 | 165.7 | 106.8 | -81.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 175 | S | 31.9 | Very low | 33.9 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -97 | 179.8 | -172.2 | -121.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 176 | P | 41.3 | Very low | 34.1 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -98.8 | 176.7 | -135 | 40.6 | -41.6 | 0 | 0 | 0 | 115.2 | ||||
| 177 | N | 35 | Very low | 34.1 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -153.2 | 161.2 | 152.7 | -120.2 | -48.1 | 0 | 0 | 0 | 115.4 | ||||
| 178 | Y | 30.2 | Very low | 34.1 | Very low | 219 Ų | 219 | 132.9 Ų | 132.9 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -71.4 | 147.8 | -177.2 | -82.9 | -118.7 | 0 | 0 | 0 | 113.5 | ||||
| 179 | S | 32.9 | Very low | 34.3 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | -160.3 | 141.5 | 118.6 | -164.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 180 | M | 33.2 | Very low | 34.3 | Very low | 164 Ų | 164 | 129 Ų | 129 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -85.6 | 144.5 | 167.9 | -72.3 | -92.1 | -85.5 | 0 | 0 | 109.9 | ||||
| 181 | N | 35.8 | Very low | 34.7 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -164.9 | 128.9 | 135.5 | -105.3 | -19.4 | 0 | 0 | 0 | 110.6 | ||||
| 182 | A | 30.9 | Very low | 35.2 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -97.1 | 153.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 183 | T | 36.4 | Very low | 36.1 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -171.3 | 128.2 | 148.8 | -82.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 184 | T | 37.4 | Very low | 37.3 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | 35.5 | 116.6 | 164.5 | 59.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 185 | G | 31.7 | Very low | 38.5 | Very low | 83 Ų | 83 | 118.9 Ų | 118.9 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | -88.8 | -174.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 186 | S | 37 | Very low | 40.4 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | -150.2 | 157.2 | 158.2 | 60.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 187 | T | 33 | Very low | 41.9 | Very low | 136 Ų | 136 | 113.4 Ų | 113.4 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | trans | -55.2 | 129.3 | -170.6 | 46 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 188 | S | 34.1 | Very low | 44 | Very low | 118 Ų | 118 | 108.5 Ų | 108.5 | 83% | 0.825 | 69% | 0.688 | S | S | * | * | trans | -159 | 141.4 | 155.1 | -79.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 189 | P | 36.2 | Very low | 46.5 | Very low | 120 Ų | 120 | 104 Ų | 104 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | trans | -86.3 | 141.1 | -167.8 | 32.2 | -35.4 | 0 | 0 | 0 | 115.7 | ||||
| 190 | S | 35.8 | Very low | 48.9 | Very low | 112 Ų | 112 | 101.6 Ų | 101.6 | 78% | 0.783 | 65% | 0.654 | S | S | * | * | trans | 49.3 | 82.8 | 151.1 | 64 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 191 | M | 40.4 | Very low | 51.4 | Low | 171 Ų | 171 | 94.8 Ų | 94.8 | 84% | 0.842 | 62% | 0.622 | S | S | * | * | trans | -114.1 | -14.8 | 155.5 | -83.7 | -72.5 | -75.6 | 0 | 0 | 114.2 | G193 | M191-G193 PolarHBondContact O-N 2.79Š| ||
| 192 | A | 47 | Very low | 53.8 | Low | 92 Ų | 92 | 93.6 Ų | 93.6 | 76% | 0.76 | 61% | 0.608 | S | S | * | * | trans | -71.2 | -27.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L194 G195 | A192-L194 PolarHBondContact O-N 2.97Å; A192-G195 PolarHBondContact O-N 2.8Å; A192-G195 VanDerWaalsContact O-N 3.17Å | ||
| 193 | G | 52.3 | Low | 56.5 | Low | 50 Ų | 50 | 92.2 Ų | 92.2 | 52% | 0.515 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | 31.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | R140 M191 | R140-G193 PolarHBondContact NH2-O 2.8Å; M191-G193 PolarHBondContact O-N 2.79Å |
| 194 | L | 55 | Low | 59 | Low | 54 Ų | 54 | 87.1 Ų | 87.1 | 28% | 0.283 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126 | -16.9 | 169.5 | -83.9 | 170.9 | 0 | 0 | 0 | 112.5 | R140 A192 V198 | R140-L194 VanDerWaalsContact NH1-CD2 3.25Å; R140-L194 VanDerWaalsContact NH1-CG 3.32Å; A192-L194 PolarHBondContact O-N 2.97Å; L194-V198 WeakPolarHBondContact O-CG2 3.01Å; L194-V198 PolarHBondContact O-N 3.32Å |
| 195 | G | 61.2 | Low | 61.5 | Low | 33 Ų | 33 | 85 Ų | 85 | 34% | 0.34 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -54.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A192 E197 V198 E199 | A192-G195 PolarHBondContact O-N 2.8Å; A192-G195 VanDerWaalsContact O-N 3.17Å; G195-E197 PolarHBondContact O-N 2.88Å; G195-V198 CarbonylContact O-C 3.5Å; G195-V198 PolarHBondContact O-N 2.97Å; G195-E199 WeakPolarHBondContact O-CG 3.28Å; G195-E199 PolarHBondContact O-N 2.89Å |
| 196 | S | 72.6 | Confident | 64.2 | Low | 79 Ų | 79 | 85.1 Ų | 85.1 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.4 | -42.1 | -175.5 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | V198 E199 V200 | S196-V198 VanDerWaalsContact C-N 3.29Å; S196-V198 PolarHBondContact O-N 3.24Å; S196-E199 PolarHBondContact O-N 3.21Å; S196-V200 WeakPolarHBondContact O-CG2 3.42Å; S196-V200 PolarHBondContact O-N 3.16Å |
| 197 | E | 71.2 | Confident | 66.7 | Low | 39 Ų | 39 | 83 Ų | 83 | 18% | 0.182 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -66.7 | -32.7 | 178.2 | -160.7 | -174.2 | -178.7 | 0 | 0 | 111.3 | S132 L133 G195 L201 | S132-E197 VanDerWaalsContact CB-OE1 3.24Å; S132-E197 WeakPolarHBondContact CB-OE1 3.42Å; S132-E197 PolarHBondContact OG-OE1 2.92Å; L133-E197 HydrophobicContact CD1-CG 4.47Å; L133-E197 HydrophobicContact CD2-CB 3.78Å; L133-E197 HydrophobicContact CD2-CG 3.62Å; L133-E197 WeakPolarHBondContact CD2-OE2 3.49Å; L133-E197 HydrophobicContact CG-CB 4.41Å; L133-E197 HydrophobicContact CG-CG 3.75Å; L133-E197 PolarHBondContact N-OE1 3.07Å; G195-E197 PolarHBondContact O-N 2.88Å; E197-L201 PolarHBondContact O-N 3.4Å; E197-L201 VanDerWaalsContact O-N 3.15Å |
| 198 | V | 78.9 | Confident | 69.5 | Low | 56 Ų | 56 | 78.9 Ų | 78.9 | 34% | 0.339 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.5 | -35.3 | 173.1 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | L133 L194 G195 S196 L201 K202 | L133-V198 HydrophobicContact CD1-CG2 4.38Å; L133-V198 HydrophobicContact CD2-CG2 3.79Å; L194-V198 WeakPolarHBondContact O-CG2 3.01Å; L194-V198 PolarHBondContact O-N 3.32Å; G195-V198 CarbonylContact O-C 3.5Å; G195-V198 PolarHBondContact O-N 2.97Å; S196-V198 VanDerWaalsContact C-N 3.29Å; S196-V198 PolarHBondContact O-N 3.24Å; V198-L201 PolarHBondContact O-N 3Å; V198-K202 WeakPolarHBondContact O-CG 3.45Å; V198-K202 PolarHBondContact O-N 3.5Å |
| 199 | E | 83.6 | Confident | 72.2 | Confident | 124 Ų | 124 | 77.5 Ų | 77.5 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67 | -41.5 | 174.7 | -76.4 | 163.7 | -170 | 0 | 0 | 111.8 | G195 S196 L201 K202 A203 | G195-E199 WeakPolarHBondContact O-CG 3.28Å; G195-E199 PolarHBondContact O-N 2.89Å; S196-E199 PolarHBondContact O-N 3.21Å; E199-L201 VanDerWaalsContact C-N 3.35Å; E199-L201 PolarHBondContact O-N 3.16Å; E199-K202 WeakPolarHBondContact O-CB 3.22Å; E199-K202 PolarHBondContact O-N 3.36Å; E199-A203 WeakPolarHBondContact O-CB 3.49Å; E199-A203 PolarHBondContact O-N 3.09Å |
| 200 | V | 82.3 | Confident | 74.7 | Confident | 65 Ų | 65 | 76.8 Ų | 76.8 | 39% | 0.394 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 170.2 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | S196 K202 A203 L204 | S196-V200 WeakPolarHBondContact O-CG2 3.42Å; S196-V200 PolarHBondContact O-N 3.16Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 2.64Å; V200-A203 PolarHBondContact O-N 3.34Å; V200-L204 HydrophobicContact CG1-CD1 3.86Å; V200-L204 HydrophobicContact CG1-CG 4.3Å; V200-L204 WeakPolarHBondContact O-CB 3.35Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.42Å; V200-L204 PolarHBondContact O-N 2.81Å |
| 201 | L | 86.6 | Confident | 77.3 | Confident | 22 Ų | 22 | 73.1 Ų | 73.1 | 12% | 0.115 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 175.5 | -167.2 | 80.3 | 0 | 0 | 0 | 112.3 | V126 H129 E130 L133 E197 V198 E199 K205 | V126-L201 HydrophobicContact CG1-CD1 4.48Å; H129-L201 HydrophobicContact CB-CD1 3.73Å; E130-L201 HydrophobicContact CB-CD1 4.02Å; E130-L201 HydrophobicContact CG-CD2 4.27Å; L133-L201 HydrophobicContact CD1-CB 3.89Å; L133-L201 HydrophobicContact CD1-CD1 4.31Å; L133-L201 HydrophobicContact CD1-CD2 3.73Å; L133-L201 HydrophobicContact CD1-CG 4.17Å; E197-L201 PolarHBondContact O-N 3.4Å; E197-L201 VanDerWaalsContact O-N 3.15Å; V198-L201 PolarHBondContact O-N 3Å; E199-L201 VanDerWaalsContact C-N 3.35Å; E199-L201 PolarHBondContact O-N 3.16Å; L201-K205 HydrophobicContact CG-CD 4.39Å; L201-K205 WeakPolarHBondContact O-CB 3.4Å; L201-K205 WeakPolarHBondContact O-CG 3.34Å; L201-K205 PolarHBondContact O-N 3.24Å |
| 202 | K | 86.3 | Confident | 79.8 | Confident | 141 Ų | 141 | 69.5 Ų | 69.5 | 61% | 0.613 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.1 | -45.9 | 175 | -74.4 | 171.6 | 179.6 | 176 | 0 | 111.6 | V198 E199 V200 K205 S206 | V198-K202 WeakPolarHBondContact O-CG 3.45Å; V198-K202 PolarHBondContact O-N 3.5Å; E199-K202 WeakPolarHBondContact O-CB 3.22Å; E199-K202 PolarHBondContact O-N 3.36Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 2.64Å; K202-K205 PolarHBondContact O-N 3.01Å; K202-S206 WeakPolarHBondContact O-CB 3.31Å; K202-S206 PolarHBondContact O-N 2.64Å |
| 203 | A | 87.6 | Confident | 81.8 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 50% | 0.504 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E199 V200 S206 L207 | E199-A203 WeakPolarHBondContact O-CB 3.49Å; E199-A203 PolarHBondContact O-N 3.09Å; V200-A203 PolarHBondContact O-N 3.34Å; A203-S206 PolarHBondContact O-N 3.15Å; A203-L207 WeakPolarHBondContact O-CB 3.3Å; A203-L207 PolarHBondContact O-N 3.37Å |
| 204 | L | 89.9 | Confident | 83.5 | Confident | 21 Ų | 21 | 68.1 Ų | 68.1 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 177 | -71 | 172.7 | 0 | 0 | 0 | 112.6 | L125 V126 H129 V200 L207 F208 | L125-L204 HydrophobicContact CD2-CD2 3.66Å; L125-L204 HydrophobicContact CG-CD1 4.16Å; L125-L204 HydrophobicContact CG-CD2 4.12Å; V126-L204 HydrophobicContact CG2-CB 3.76Å; H129-L204 HydrophobicContact CB-CD1 4.23Å; H129-L204 VanDerWaalsContact ND1-CD1 3.35Å; H129-L204 WeakPolarHBondContact ND1-CD1 3.17Å; V200-L204 HydrophobicContact CG1-CD1 3.86Å; V200-L204 HydrophobicContact CG1-CG 4.3Å; V200-L204 WeakPolarHBondContact O-CB 3.35Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.42Å; V200-L204 PolarHBondContact O-N 2.81Å; L204-L207 PolarHBondContact O-N 3.16Å; L204-F208 WeakPolarHBondContact O-CB 3.27Å; L204-F208 PolarHBondContact O-N 2.79Å |
| 205 | K | 89.2 | Confident | 85.3 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.5 | -36 | 175.3 | -72.8 | -172.9 | 178.9 | -167 | 0 | 112.2 | V126 E130 L201 K202 E209 | V126-K205 HydrophobicContact CG1-CD 4.3Å; V126-K205 VanDerWaalsContact CG1-CE 3.47Å; V126-K205 HydrophobicContact CG1-CG 3.79Å; V126-K205 HydrophobicContact CG2-CG 4.15Å; E130-K205 IonicContact OE2-NZ 2.79Å; E130-K205 PolarHBondContact OE2-NZ 2.62Å; L201-K205 HydrophobicContact CG-CD 4.39Å; L201-K205 WeakPolarHBondContact O-CB 3.4Å; L201-K205 WeakPolarHBondContact O-CG 3.34Å; L201-K205 PolarHBondContact O-N 3.24Å; K202-K205 PolarHBondContact O-N 3.01Å; K205-E209 PolarHBondContact O-N 3.37Å; K205-E209 VanDerWaalsContact O-N 3.09Å |
| 206 | S | 88.2 | Confident | 86.6 | Confident | 85 Ų | 85 | 69 Ų | 69 | 59% | 0.594 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.3 | -36.7 | 173.6 | -167.6 | 0 | 0 | 0 | 0 | 112.8 | K202 A203 H210 | K202-S206 WeakPolarHBondContact O-CB 3.31Å; K202-S206 PolarHBondContact O-N 2.64Å; A203-S206 PolarHBondContact O-N 3.15Å; S206-H210 WeakPolarHBondContact O-CB 3.35Å; S206-H210 PolarHBondContact O-N 3.02Å |
| 207 | L | 89.9 | Confident | 87.5 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.3 | -42.1 | 177.2 | -178.1 | 61.5 | 0 | 0 | 0 | 111.5 | L122 A203 L204 H210 H211 | L122-L207 HydrophobicContact CD1-CG 4.18Å; L122-L207 HydrophobicContact CD2-CD2 3.78Å; L122-L207 HydrophobicContact CD2-CG 4.14Å; A203-L207 WeakPolarHBondContact O-CB 3.3Å; A203-L207 PolarHBondContact O-N 3.37Å; L204-L207 PolarHBondContact O-N 3.16Å; L207-H210 PolarHBondContact O-N 3.44Å; L207-H211 PolarHBondContact O-CD2 2.79Å; L207-H211 PolarHBondContact O-N 3.08Å |
| 208 | F | 91.9 | Very high | 88.5 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.5 | -49.4 | 172.5 | 178.1 | -98.9 | 0 | 0 | 0 | 111.6 | L119 L122 E123 L204 H210 H211 K212 | L119-F208 HydrophobicContact CD2-CD2 3.83Å; L119-F208 HydrophobicContact CD2-CE2 3.79Å; L119-F208 HydrophobicContact CD2-CZ 4.46Å; L122-F208 HydrophobicContact CB-CB 4.39Å; L122-F208 HydrophobicContact CB-CD2 3.86Å; E123-F208 HydrophobicContact CB-CE2 3.88Å; L204-F208 WeakPolarHBondContact O-CB 3.27Å; L204-F208 PolarHBondContact O-N 2.79Å; F208-H210 VanDerWaalsContact C-N 3.33Å; F208-H210 PolarHBondContact O-N 3.19Å; F208-H211 PolarHBondContact O-N 3.44Å; F208-K212 HydrophobicContact CE1-CD 4.12Å; F208-K212 WeakPolarHBondContact O-CB 3.48Å; F208-K212 PolarHBondContact O-N 2.56Å |
| 209 | E | 89.3 | Confident | 89 | Confident | 88 Ų | 88 | 68.1 Ų | 68.1 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.1 | -34.6 | 179.2 | -164.3 | 60.4 | -147.9 | 0 | 0 | 112.2 | K205 K212 V213 | K205-E209 PolarHBondContact O-N 3.37Å; K205-E209 VanDerWaalsContact O-N 3.09Å; E209-K212 PolarHBondContact O-N 2.72Å; E209-K212 IonicContact OE1-NZ 2.78Å; E209-K212 PolarHBondContact OE1-NZ 2.88Å; E209-K212 IonicContact OE2-NZ 3.69Å; E209-K212 PolarHBondContact OE2-NZ 2.98Å; E209-V213 WeakPolarHBondContact O-CG2 3.48Å; E209-V213 PolarHBondContact O-N 3.45Å |
| 210 | H | 88.6 | Confident | 89.4 | Confident | 106 Ų | 106 | 65.2 Ų | 65.2 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 172.7 | -178.1 | -102.3 | 0 | 0 | 0 | 112.4 | S206 L207 F208 K212 V213 L214 | S206-H210 WeakPolarHBondContact O-CB 3.35Å; S206-H210 PolarHBondContact O-N 3.02Å; L207-H210 PolarHBondContact O-N 3.44Å; F208-H210 VanDerWaalsContact C-N 3.33Å; F208-H210 PolarHBondContact O-N 3.19Å; H210-K212 VanDerWaalsContact C-N 3.3Å; H210-K212 PolarHBondContact O-N 2.82Å; H210-V213 PolarHBondContact O-N 3.2Å; H210-L214 WeakPolarHBondContact O-CG 3.37Å; H210-L214 PolarHBondContact O-N 3.26Å |
| 211 | H | 91.5 | Very high | 89.7 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.3 | -28.9 | 176.4 | -81.8 | -74.6 | 0 | 0 | 0 | 113.1 | M115 L118 L119 L122 L207 F208 L214 D215 | M115-H211 HydrophobicContact SD-CB 4.05Å; M115-H211 PolarHBondContact SD-ND1 3.02Å; L118-H211 VanDerWaalsContact CD2-CE1 3.42Å; L118-H211 WeakPolarHBondContact CD2-CE1 3.39Å; L118-H211 WeakPolarHBondContact CD2-ND1 3.41Å; L119-H211 HydrophobicContact CD2-CB 3.89Å; L119-H211 HydrophobicContact CG-CB 4.37Å; L122-H211 HydrophobicContact CD1-CB 4.21Å; L207-H211 PolarHBondContact O-CD2 2.79Å; L207-H211 PolarHBondContact O-N 3.08Å; F208-H211 PolarHBondContact O-N 3.44Å; H211-L214 CarbonylContact O-C 3.59Å; H211-L214 WeakPolarHBondContact O-CA 3.14Å; H211-L214 WeakPolarHBondContact O-CB 3.15Å; H211-L214 PolarHBondContact O-N 2.8Å; H211-L214 VanDerWaalsContact O-N 3.13Å; H211-D215 PolarHBondContact O-N 2.77Å |
| 212 | K | 91.9 | Very high | 90 | Very high | 94 Ų | 94 | 67.3 Ų | 67.3 | 41% | 0.409 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.1 | -38 | 173.1 | 174 | 162.8 | 156.9 | -92 | 0 | 111.8 | L119 F208 E209 H210 L214 D215 E216 | L119-K212 HydrophobicContact CD2-CB 4.09Å; F208-K212 HydrophobicContact CE1-CD 4.12Å; F208-K212 WeakPolarHBondContact O-CB 3.48Å; F208-K212 PolarHBondContact O-N 2.56Å; E209-K212 PolarHBondContact O-N 2.72Å; E209-K212 IonicContact OE1-NZ 2.78Å; E209-K212 PolarHBondContact OE1-NZ 2.88Å; E209-K212 IonicContact OE2-NZ 3.69Å; E209-K212 PolarHBondContact OE2-NZ 2.98Å; H210-K212 VanDerWaalsContact C-N 3.3Å; H210-K212 PolarHBondContact O-N 2.82Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.33Å; K212-D215 PolarHBondContact O-N 3.45Å; K212-E216 PolarHBondContact O-N 3.4Å |
| 213 | V | 89.4 | Confident | 90.2 | Very high | 67 Ų | 67 | 63.8 Ų | 63.8 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.2 | -26 | 169.1 | 171.2 | 0 | 0 | 0 | 0 | 112.3 | E209 H210 K217 | E209-V213 WeakPolarHBondContact O-CG2 3.48Å; E209-V213 PolarHBondContact O-N 3.45Å; H210-V213 PolarHBondContact O-N 3.2Å; V213-K217 WeakPolarHBondContact O-CG 3.43Å; V213-K217 PolarHBondContact O-N 2.86Å |
| 214 | L | 88.8 | Confident | 90.4 | Very high | 47 Ų | 47 | 65.5 Ų | 65.5 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -75.9 | -43.2 | 171.7 | -68.6 | 173.7 | 0 | 0 | 0 | 112.6 | M115 H210 H211 K212 E216 K217 V218 | M115-L214 HydrophobicContact CE-CB 3.69Å; M115-L214 HydrophobicContact CE-CD1 4.27Å; M115-L214 HydrophobicContact SD-CB 3.96Å; H210-L214 WeakPolarHBondContact O-CG 3.37Å; H210-L214 PolarHBondContact O-N 3.26Å; H211-L214 CarbonylContact O-C 3.59Å; H211-L214 WeakPolarHBondContact O-CA 3.14Å; H211-L214 WeakPolarHBondContact O-CB 3.15Å; H211-L214 PolarHBondContact O-N 2.8Å; H211-L214 VanDerWaalsContact O-N 3.13Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.33Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.92Å; L214-K217 HydrophobicContact CD2-CD 4.34Å; L214-K217 WeakPolarHBondContact O-CB 3.47Å; L214-K217 PolarHBondContact O-N 2.9Å; L214-K217 VanDerWaalsContact O-N 3.07Å; L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 2.85Å |
| 215 | D | 91.7 | Very high | 90.4 | Very high | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.102 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 174.1 | -174.2 | 74.1 | 0 | 0 | 0 | 111.1 | R112 M115 L119 H211 K212 K217 V218 H219 | R112-D215 WeakPolarHBondContact CG-OD1 3.44Å; R112-D215 IonicContact CZ-OD1 3.69Å; R112-D215 IonicContact CZ-OD2 3.13Å; R112-D215 IonicContact NE-OD1 3.96Å; R112-D215 PolarHBondContact NE-OD1 3.36Å; R112-D215 IonicContact NE-OD2 2.64Å; R112-D215 PolarHBondContact NE-OD2 3.22Å; R112-D215 IonicContact NH2-OD1 2.69Å; R112-D215 IonicContact NH2-OD2 3.22Å; R112-D215 PolarHBondContact NH2-OD2 2.86Å; M115-D215 HydrophobicContact CB-CB 4.49Å; M115-D215 HydrophobicContact CG-CB 3.71Å; L119-D215 HydrophobicContact CD1-CB 3.89Å; H211-D215 PolarHBondContact O-N 2.77Å; K212-D215 PolarHBondContact O-N 3.45Å; D215-K217 VanDerWaalsContact C-N 3.32Å; D215-K217 PolarHBondContact O-N 3.49Å; D215-V218 PolarHBondContact O-N 2.71Å; D215-H219 VanDerWaalsContact O-CB 3.24Å; D215-H219 WeakPolarHBondContact O-CB 3.48Å; D215-H219 PolarHBondContact O-N 3.4Å |
| 216 | E | 89.5 | Confident | 90.5 | Very high | 87 Ų | 87 | 64.5 Ų | 64.5 | 41% | 0.407 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.7 | -33.5 | 176.9 | -173.8 | 55.8 | -154.5 | 0 | 0 | 112.2 | K212 L214 H219 N220 R223 | K212-E216 PolarHBondContact O-N 3.4Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.92Å; E216-H219 IonicContact OE2-CD2 2.67Å; E216-N220 WeakPolarHBondContact O-CB 3.42Å; E216-N220 PolarHBondContact O-N 3.1Å; E216-N220 PolarHBondContact O-ND2 3.21Å; E216-N220 PolarHBondContact OE1-ND2 3.35Å; E216-R223 IonicContact OE1-NH1 3.34Å |
| 217 | K | 91.3 | Very high | 90.5 | Very high | 124 Ų | 124 | 64.9 Ų | 64.9 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 173 | -77.2 | 171 | -179.4 | 176.8 | 0 | 112.3 | V213 L214 D215 H219 N220 R221 | V213-K217 WeakPolarHBondContact O-CG 3.43Å; V213-K217 PolarHBondContact O-N 2.86Å; L214-K217 HydrophobicContact CD2-CD 4.34Å; L214-K217 WeakPolarHBondContact O-CB 3.47Å; L214-K217 PolarHBondContact O-N 2.9Å; L214-K217 VanDerWaalsContact O-N 3.07Å; D215-K217 VanDerWaalsContact C-N 3.32Å; D215-K217 PolarHBondContact O-N 3.49Å; K217-H219 VanDerWaalsContact C-N 3.33Å; K217-N220 PolarHBondContact O-N 3.42Å; K217-R221 PolarHBondContact O-N 3.4Å |
| 218 | V | 92.1 | Very high | 90.5 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.6 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | L108 E111 R112 L214 D215 N220 R221 L222 | L108-V218 HydrophobicContact CD2-CG1 4.09Å; E111-V218 HydrophobicContact CB-CG1 4.05Å; E111-V218 VanDerWaalsContact CD-CG2 3.48Å; E111-V218 HydrophobicContact CG-CG1 4.03Å; E111-V218 HydrophobicContact CG-CG2 3.9Å; R112-V218 HydrophobicContact CB-CG1 3.92Å; R112-V218 HydrophobicContact CG-CG1 4.41Å; L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 2.85Å; D215-V218 PolarHBondContact O-N 2.71Å; V218-N220 PolarHBondContact O-N 2.85Å; V218-R221 PolarHBondContact O-N 3.33Å; V218-L222 WeakPolarHBondContact O-CB 3.42Å; V218-L222 PolarHBondContact O-N 3.39Å |
| 219 | H | 90.3 | Very high | 90.4 | Very high | 25 Ų | 25 | 62.7 Ų | 62.7 | 12% | 0.116 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.2 | -173.3 | 11.3 | 0 | 0 | 0 | 112.2 | R112 D215 E216 K217 L222 R223 | R112-H219 VanDerWaalsContact CZ-CG 3.49Å; R112-H219 PolarHBondContact NH1-CD2 3.35Å; R112-H219 PolarHBondContact NH1-CE1 3.16Å; R112-H219 PolarHBondContact NH1-ND1 2.77Å; R112-H219 PolarHBondContact NH1-NE2 3.03Å; R112-H219 PolarHBondContact NH2-CD2 3.08Å; D215-H219 VanDerWaalsContact O-CB 3.24Å; D215-H219 WeakPolarHBondContact O-CB 3.48Å; D215-H219 PolarHBondContact O-N 3.4Å; E216-H219 IonicContact OE2-CD2 2.67Å; K217-H219 VanDerWaalsContact C-N 3.33Å; H219-L222 PolarHBondContact O-N 3.23Å; H219-R223 PolarHBondContact CD2-NH2 3.47Å; H219-R223 PolarHBondContact CE1-NH2 2.95Å; H219-R223 PolarHBondContact NE2-NH2 3.3Å; H219-R223 VanDerWaalsContact O-CB 3.28Å; H219-R223 WeakPolarHBondContact O-CB 3.22Å; H219-R223 PolarHBondContact O-N 3.01Å |
| 220 | N | 90.4 | Very high | 90.3 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.3 | -36.8 | 177.5 | -80.6 | -68.9 | 0 | 0 | 0 | 112.5 | E216 K217 V218 R223 V224 | E216-N220 WeakPolarHBondContact O-CB 3.42Å; E216-N220 PolarHBondContact O-N 3.1Å; E216-N220 PolarHBondContact O-ND2 3.21Å; E216-N220 PolarHBondContact OE1-ND2 3.35Å; K217-N220 PolarHBondContact O-N 3.42Å; V218-N220 PolarHBondContact O-N 2.85Å; N220-R223 PolarHBondContact O-N 3Å; N220-R223 PolarHBondContact OD1-NH1 3.21Å; N220-V224 VanDerWaalsContact O-CG2 3.32Å; N220-V224 WeakPolarHBondContact O-CG2 3.33Å; N220-V224 PolarHBondContact O-N 2.89Å |
| 221 | R | 90.5 | Very high | 90.3 | Very high | 119 Ų | 119 | 60.9 Ų | 60.9 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.5 | -53.8 | 169.1 | -76.1 | -174.5 | 65.4 | -150.4 | -3.5 | 110.9 | E104 L108 E111 K217 V218 R223 V224 S225 | E104-R221 IonicContact OE1-CZ 2.74Å; E104-R221 IonicContact OE1-NE 2.73Å; E104-R221 IonicContact OE1-NH2 3.85Å; E104-R221 PolarHBondContact OE1-NH2 3.27Å; L108-R221 HydrophobicContact CD1-CB 4.02Å; L108-R221 HydrophobicContact CD2-CB 3.73Å; E111-R221 IonicContact OE2-NH1 2.83Å; K217-R221 PolarHBondContact O-N 3.4Å; V218-R221 PolarHBondContact O-N 3.33Å; R221-R223 VanDerWaalsContact C-N 3.28Å; R221-R223 PolarHBondContact O-N 2.76Å; R221-V224 WeakPolarHBondContact O-CA 3.49Å; R221-V224 WeakPolarHBondContact O-CB 3.41Å; R221-V224 PolarHBondContact O-N 2.6Å; R221-S225 PolarHBondContact O-N 2.97Å; R221-S225 PolarHBondContact O-OG 2.95Å |
| 222 | L | 91.8 | Very high | 90.2 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.2 | -43 | 178.7 | -179.8 | 60.1 | 0 | 0 | 0 | 112.1 | I105 L108 K109 V218 H219 V224 S225 Q226 | I105-L222 HydrophobicContact CB-CD1 4.35Å; I105-L222 HydrophobicContact CG1-CD1 4.3Å; I105-L222 HydrophobicContact CG2-CD1 4Å; L108-L222 HydrophobicContact CB-CB 4.16Å; L108-L222 HydrophobicContact CB-CD1 3.91Å; K109-L222 HydrophobicContact CG-CD1 4.27Å; K109-L222 HydrophobicContact CG-CD2 4.44Å; V218-L222 WeakPolarHBondContact O-CB 3.42Å; V218-L222 PolarHBondContact O-N 3.39Å; H219-L222 PolarHBondContact O-N 3.23Å; L222-V224 PolarHBondContact O-N 3.47Å; L222-S225 PolarHBondContact O-N 3.44Å; L222-Q226 HydrophobicContact CD1-CG 4.2Å; L222-Q226 HydrophobicContact CG-CG 4.49Å; L222-Q226 VanDerWaalsContact O-CB 3.23Å; L222-Q226 WeakPolarHBondContact O-CB 3.4Å; L222-Q226 WeakPolarHBondContact O-CG 3.41Å; L222-Q226 PolarHBondContact O-N 3.07Å |
| 223 | R | 91.6 | Very high | 90 | Very high | 67 Ų | 67 | 59.5 Ų | 59.5 | 25% | 0.253 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 176.4 | -172.2 | -173.9 | -71.7 | 145.1 | -8.3 | 112.1 | E216 H219 N220 R221 N227 | E216-R223 IonicContact OE1-NH1 3.34Å; H219-R223 PolarHBondContact CD2-NH2 3.47Å; H219-R223 PolarHBondContact CE1-NH2 2.95Å; H219-R223 PolarHBondContact NE2-NH2 3.3Å; H219-R223 VanDerWaalsContact O-CB 3.28Å; H219-R223 WeakPolarHBondContact O-CB 3.22Å; H219-R223 PolarHBondContact O-N 3.01Å; N220-R223 PolarHBondContact O-N 3Å; N220-R223 PolarHBondContact OD1-NH1 3.21Å; R221-R223 VanDerWaalsContact C-N 3.28Å; R221-R223 PolarHBondContact O-N 2.76Å; R223-N227 WeakPolarHBondContact O-CB 3.44Å; R223-N227 PolarHBondContact O-N 3.24Å; R223-N227 VanDerWaalsContact O-N 3.09Å; R223-N227 PolarHBondContact O-ND2 3.33Å; R223-N227 PolarHBondContact O-OD1 2.97Å |
| 224 | V | 91 | Very high | 89.9 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -69.9 | -46.5 | 176.1 | 168 | 0 | 0 | 0 | 0 | 111.4 | N220 R221 L222 N227 K228 | N220-V224 VanDerWaalsContact O-CG2 3.32Å; N220-V224 WeakPolarHBondContact O-CG2 3.33Å; N220-V224 PolarHBondContact O-N 2.89Å; R221-V224 WeakPolarHBondContact O-CA 3.49Å; R221-V224 WeakPolarHBondContact O-CB 3.41Å; R221-V224 PolarHBondContact O-N 2.6Å; L222-V224 PolarHBondContact O-N 3.47Å; V224-N227 PolarHBondContact O-N 3.5Å; V224-K228 PolarHBondContact O-N 2.91Å |
| 225 | S | 89.2 | Confident | 89.8 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 5% | 0.049 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67 | -38.4 | 179.1 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | E104 R221 L222 K228 V229 | E104-S225 WeakPolarHBondContact OE2-CB 3.47Å; E104-S225 PolarHBondContact OE2-OG 3.26Å; R221-S225 PolarHBondContact O-N 2.97Å; R221-S225 PolarHBondContact O-OG 2.95Å; L222-S225 PolarHBondContact O-N 3.44Å; S225-K228 PolarHBondContact O-N 3.05Å; S225-V229 PolarHBondContact O-N 3.46Å |
| 226 | Q | 91.2 | Very high | 89.5 | Confident | 81 Ų | 81 | 63.6 Ų | 63.6 | 38% | 0.379 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.8 | -47 | 170.8 | -78 | 175 | -31.7 | 0 | 0 | 112.5 | I105 L222 K228 V229 T230 | I105-Q226 HydrophobicContact CD1-CB 4.41Å; I105-Q226 HydrophobicContact CD1-CG 3.86Å; I105-Q226 HydrophobicContact CG1-CG 4.16Å; L222-Q226 HydrophobicContact CD1-CG 4.2Å; L222-Q226 HydrophobicContact CG-CG 4.49Å; L222-Q226 VanDerWaalsContact O-CB 3.23Å; L222-Q226 WeakPolarHBondContact O-CB 3.4Å; L222-Q226 WeakPolarHBondContact O-CG 3.41Å; L222-Q226 PolarHBondContact O-N 3.07Å; Q226-K228 VanDerWaalsContact C-N 3.32Å; Q226-K228 PolarHBondContact O-N 3.15Å; Q226-V229 PolarHBondContact O-N 3.43Å; Q226-T230 PolarHBondContact O-N 2.83Å |
| 227 | N | 89.2 | Confident | 89.2 | Confident | 94 Ų | 94 | 65.8 Ų | 65.8 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 175 | -71.1 | -10.2 | 0 | 0 | 0 | 111.1 | R223 V224 V229 T230 D231 | R223-N227 WeakPolarHBondContact O-CB 3.44Å; R223-N227 PolarHBondContact O-N 3.24Å; R223-N227 VanDerWaalsContact O-N 3.09Å; R223-N227 PolarHBondContact O-ND2 3.33Å; R223-N227 PolarHBondContact O-OD1 2.97Å; V224-N227 PolarHBondContact O-N 3.5Å; N227-V229 VanDerWaalsContact C-N 3.33Å; N227-V229 PolarHBondContact O-N 2.82Å; N227-T230 WeakPolarHBondContact CA-OG1 3.08Å; N227-T230 PolarHBondContact O-N 3.44Å; N227-T230 VanDerWaalsContact O-N 3.12Å; N227-T230 PolarHBondContact O-OG1 2.9Å; N227-D231 PolarHBondContact O-N 3.41Å |
| 228 | K | 89.6 | Confident | 88.8 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -30.5 | 178.8 | -177.7 | 54.6 | -170 | 152.9 | 0 | 113 | V224 S225 Q226 D231 L232 | V224-K228 PolarHBondContact O-N 2.91Å; S225-K228 PolarHBondContact O-N 3.05Å; Q226-K228 VanDerWaalsContact C-N 3.32Å; Q226-K228 PolarHBondContact O-N 3.15Å; K228-D231 HydrophobicContact CD-CB 4.26Å; K228-D231 PolarHBondContact O-N 3.35Å; K228-L232 HydrophobicContact CD-CD1 4.45Å; K228-L232 HydrophobicContact CD-CG 4.33Å; K228-L232 HydrophobicContact CG-CD1 4.25Å; K228-L232 WeakPolarHBondContact O-CB 3.49Å; K228-L232 VanDerWaalsContact O-CG 3.28Å; K228-L232 WeakPolarHBondContact O-CG 3.24Å; K228-L232 PolarHBondContact O-N 2.81Å |
| 229 | V | 89.2 | Confident | 88.4 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 9% | 0.085 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62 | -49.9 | 167.2 | 160.4 | 0 | 0 | 0 | 0 | 110.2 | L98 R101 I105 S225 Q226 N227 D231 L232 E233 | L98-V229 HydrophobicContact CD1-CB 4.45Å; L98-V229 HydrophobicContact CD1-CG1 3.94Å; L98-V229 HydrophobicContact CD1-CG2 4.38Å; R101-V229 HydrophobicContact CB-CG2 3.55Å; I105-V229 HydrophobicContact CD1-CB 4.02Å; I105-V229 HydrophobicContact CD1-CG2 3.48Å; I105-V229 VanDerWaalsContact CD1-CG2 3.48Å; S225-V229 PolarHBondContact O-N 3.46Å; Q226-V229 PolarHBondContact O-N 3.43Å; N227-V229 VanDerWaalsContact C-N 3.33Å; N227-V229 PolarHBondContact O-N 2.82Å; V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.16Å; V229-L232 CarbonylContact O-C 3.17Å; V229-L232 PolarHBondContact O-N 3.46Å; V229-E233 HydrophobicContact CG1-CG 4.22Å; V229-E233 WeakPolarHBondContact O-CG 3.3Å; V229-E233 PolarHBondContact O-N 3.01Å |
| 230 | T | 88.1 | Confident | 88 | Confident | 62 Ų | 62 | 68 Ų | 68 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.6 | -32 | 178 | 57 | 0 | 0 | 0 | 0 | 113.2 | Q226 N227 N234 | Q226-T230 PolarHBondContact O-N 2.83Å; N227-T230 WeakPolarHBondContact CA-OG1 3.08Å; N227-T230 PolarHBondContact O-N 3.44Å; N227-T230 VanDerWaalsContact O-N 3.12Å; N227-T230 PolarHBondContact O-OG1 2.9Å; T230-N234 PolarHBondContact O-N 2.92Å; T230-N234 PolarHBondContact O-ND2 3.23Å |
| 231 | D | 88.8 | Confident | 87.5 | Confident | 93 Ų | 93 | 69.6 Ų | 69.6 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 171 | -68.6 | -29.5 | 0 | 0 | 0 | 111.5 | N227 K228 V229 N234 E235 | N227-D231 PolarHBondContact O-N 3.41Å; K228-D231 HydrophobicContact CD-CB 4.26Å; K228-D231 PolarHBondContact O-N 3.35Å; V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.16Å; D231-N234 PolarHBondContact O-N 3.05Å; D231-E235 PolarHBondContact O-N 3.1Å |
| 232 | L | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.5 | -35.8 | 179 | -71.8 | 165.8 | 0 | 0 | 0 | 112.4 | V94 Q97 L98 R101 K228 V229 N234 E235 L236 | V94-L232 HydrophobicContact CG1-CB 4.5Å; V94-L232 HydrophobicContact CG1-CD2 4.13Å; Q97-L232 HydrophobicContact CB-CD1 4.04Å; Q97-L232 HydrophobicContact CB-CD2 4.08Å; L98-L232 HydrophobicContact CD1-CB 3.88Å; R101-L232 HydrophobicContact CG-CD1 4.08Å; K228-L232 HydrophobicContact CD-CD1 4.45Å; K228-L232 HydrophobicContact CD-CG 4.33Å; K228-L232 HydrophobicContact CG-CD1 4.25Å; K228-L232 WeakPolarHBondContact O-CB 3.49Å; K228-L232 VanDerWaalsContact O-CG 3.28Å; K228-L232 WeakPolarHBondContact O-CG 3.24Å; K228-L232 PolarHBondContact O-N 2.81Å; V229-L232 CarbonylContact O-C 3.17Å; V229-L232 PolarHBondContact O-N 3.46Å; L232-N234 VanDerWaalsContact C-N 3.35Å; L232-E235 PolarHBondContact O-N 3.38Å; L232-L236 WeakPolarHBondContact O-CB 3.21Å; L232-L236 PolarHBondContact O-N 3.04Å |
| 233 | E | 87.1 | Confident | 85.8 | Confident | 101 Ų | 101 | 68.6 Ų | 68.6 | 47% | 0.472 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 173.1 | -70.8 | 179.8 | 130.5 | 0 | 0 | 111.6 | L98 V229 L236 F237 | L98-E233 HydrophobicContact CD1-CG 3.84Å; V229-E233 HydrophobicContact CG1-CG 4.22Å; V229-E233 WeakPolarHBondContact O-CG 3.3Å; V229-E233 PolarHBondContact O-N 3.01Å; E233-L236 PolarHBondContact O-N 3.32Å; E233-F237 WeakPolarHBondContact O-CB 3.28Å; E233-F237 PolarHBondContact O-N 3.1Å |
| 234 | N | 86.7 | Confident | 84.7 | Confident | 106 Ų | 106 | 70.2 Ų | 70.2 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.8 | -42.1 | 175.5 | -77.1 | -62.2 | 0 | 0 | 0 | 112.1 | T230 D231 L232 F237 E238 | T230-N234 PolarHBondContact O-N 2.92Å; T230-N234 PolarHBondContact O-ND2 3.23Å; D231-N234 PolarHBondContact O-N 3.05Å; L232-N234 VanDerWaalsContact C-N 3.35Å; N234-F237 PolarHBondContact O-N 2.91Å; N234-E238 PolarHBondContact O-N 3.34Å; N234-E238 VanDerWaalsContact O-N 3.12Å |
| 235 | E | 86.9 | Confident | 83.2 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.5 | -172 | 168.4 | -168.7 | 0 | 0 | 111.2 | V94 D231 L232 F237 E238 L239 | V94-E235 HydrophobicContact CG1-CB 4.41Å; V94-E235 HydrophobicContact CG1-CG 4.47Å; V94-E235 HydrophobicContact CG2-CG 4.11Å; D231-E235 PolarHBondContact O-N 3.1Å; L232-E235 PolarHBondContact O-N 3.38Å; E235-F237 VanDerWaalsContact C-N 3.33Å; E235-F237 PolarHBondContact O-N 3.12Å; E235-E238 PolarHBondContact O-N 2.69Å; E235-L239 HydrophobicContact CG-CD1 4.31Å; E235-L239 WeakPolarHBondContact O-CB 3.47Å; E235-L239 VanDerWaalsContact O-CG 3.31Å; E235-L239 WeakPolarHBondContact O-CG 3.23Å; E235-L239 PolarHBondContact O-N 3.44Å |
| 236 | L | 85.1 | Confident | 81.6 | Confident | 17 Ų | 17 | 72 Ų | 72 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 175.2 | -174.3 | 57.5 | 0 | 0 | 0 | 112.3 | L91 V94 E95 L98 L232 E233 L239 K240 | L91-L236 HydrophobicContact CD1-CD1 3.58Å; L91-L236 HydrophobicContact CG-CD1 4.26Å; V94-L236 HydrophobicContact CG1-CB 3.88Å; V94-L236 HydrophobicContact CG1-CD1 4.32Å; E95-L236 HydrophobicContact CG-CD1 3.48Å; E95-L236 VanDerWaalsContact CG-CD1 3.48Å; E95-L236 HydrophobicContact CG-CD2 3.93Å; E95-L236 HydrophobicContact CG-CG 4.37Å; L98-L236 HydrophobicContact CD2-CD2 3.91Å; L232-L236 WeakPolarHBondContact O-CB 3.21Å; L232-L236 PolarHBondContact O-N 3.04Å; E233-L236 PolarHBondContact O-N 3.32Å; L236-L239 PolarHBondContact O-N 2.84Å; L236-K240 HydrophobicContact CD1-CD 4.3Å; L236-K240 HydrophobicContact CG-CD 4.22Å; L236-K240 WeakPolarHBondContact O-CB 3.33Å; L236-K240 VanDerWaalsContact O-CG 3.32Å; L236-K240 WeakPolarHBondContact O-CG 3.21Å; L236-K240 PolarHBondContact O-N 3.31Å |
| 237 | F | 83.1 | Confident | 79.4 | Confident | 132 Ų | 132 | 72.2 Ų | 72.2 | 58% | 0.579 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.7 | -47.4 | 177.2 | -176.8 | -96.6 | 0 | 0 | 0 | 111.9 | E233 N234 E235 K240 R241 | E233-F237 WeakPolarHBondContact O-CB 3.28Å; E233-F237 PolarHBondContact O-N 3.1Å; N234-F237 PolarHBondContact O-N 2.91Å; E235-F237 VanDerWaalsContact C-N 3.33Å; E235-F237 PolarHBondContact O-N 3.12Å; F237-K240 PolarHBondContact O-N 3.24Å; F237-R241 WeakPolarHBondContact O-CB 3.49Å; F237-R241 PolarHBondContact O-N 3.46Å |
| 238 | E | 83.6 | Confident | 77.2 | Confident | 94 Ų | 94 | 70.2 Ų | 70.2 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.9 | -32.4 | 177.6 | -76.1 | -63.4 | 157.2 | 0 | 0 | 112.7 | N234 E235 R241 S242 | N234-E238 PolarHBondContact O-N 3.34Å; N234-E238 VanDerWaalsContact O-N 3.12Å; E235-E238 PolarHBondContact O-N 2.69Å; E238-R241 PolarHBondContact O-N 2.78Å; E238-R241 IonicContact OE1-NH1 3.6Å; E238-R241 PolarHBondContact OE1-NH1 2.8Å; E238-R241 WeakPolarHBondContact OE2-CD 3.24Å; E238-R241 IonicContact OE2-NH1 3.45Å; E238-S242 WeakPolarHBondContact O-CB 3.43Å; E238-S242 PolarHBondContact O-N 3.32Å; E238-S242 PolarHBondContact O-OG 2.81Å |
| 239 | L | 83.4 | Confident | 74.9 | Confident | 22 Ų | 22 | 71.5 Ų | 71.5 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 169.7 | -72.4 | 174.3 | 0 | 0 | 0 | 112.2 | M87 K90 L91 V94 E235 L236 S242 K243 | M87-L239 HydrophobicContact CE-CD2 3.58Å; M87-L239 HydrophobicContact SD-CD2 4.49Å; K90-L239 HydrophobicContact CB-CD1 4.29Å; K90-L239 HydrophobicContact CB-CD2 4.22Å; L91-L239 HydrophobicContact CD1-CB 3.84Å; V94-L239 HydrophobicContact CB-CD1 4.13Å; V94-L239 HydrophobicContact CG2-CD1 3.72Å; E235-L239 HydrophobicContact CG-CD1 4.31Å; E235-L239 WeakPolarHBondContact O-CB 3.47Å; E235-L239 VanDerWaalsContact O-CG 3.31Å; E235-L239 WeakPolarHBondContact O-CG 3.23Å; E235-L239 PolarHBondContact O-N 3.44Å; L236-L239 PolarHBondContact O-N 2.84Å; L239-S242 WeakPolarHBondContact CA-OG 3.32Å; L239-S242 PolarHBondContact O-OG 2.96Å; L239-S242 VanDerWaalsContact O-OG 3.12Å; L239-K243 WeakPolarHBondContact O-CB 3.31Å; L239-K243 PolarHBondContact O-N 3.48Å; L239-K243 VanDerWaalsContact O-N 3.1Å |
| 240 | K | 83.5 | Confident | 72.4 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 37% | 0.37 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 174.8 | -72.4 | 177.3 | 178.2 | 169.9 | 0 | 111.6 | L91 E95 L236 F237 K243 I244 | L91-K240 HydrophobicContact CD1-CD 4.41Å; L91-K240 HydrophobicContact CD1-CG 3.59Å; E95-K240 WeakPolarHBondContact OE1-CE 3.4Å; E95-K240 IonicContact OE1-NZ 2.76Å; E95-K240 PolarHBondContact OE1-NZ 2.89Å; L236-K240 HydrophobicContact CD1-CD 4.3Å; L236-K240 HydrophobicContact CG-CD 4.22Å; L236-K240 WeakPolarHBondContact O-CB 3.33Å; L236-K240 VanDerWaalsContact O-CG 3.32Å; L236-K240 WeakPolarHBondContact O-CG 3.21Å; L236-K240 PolarHBondContact O-N 3.31Å; F237-K240 PolarHBondContact O-N 3.24Å; K240-K243 PolarHBondContact O-N 2.86Å; K240-I244 WeakPolarHBondContact O-CG1 3.33Å; K240-I244 PolarHBondContact O-N 2.86Å; K240-I244 VanDerWaalsContact O-N 3.1Å |
| 241 | R | 79.1 | Confident | 69.8 | Low | 97 Ų | 97 | 79.5 Ų | 79.5 | 37% | 0.366 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 177 | -167.9 | -175.7 | -172.1 | -165 | 5.6 | 112.5 | F237 E238 I244 N245 E266 | F237-R241 WeakPolarHBondContact O-CB 3.49Å; F237-R241 PolarHBondContact O-N 3.46Å; E238-R241 PolarHBondContact O-N 2.78Å; E238-R241 IonicContact OE1-NH1 3.6Å; E238-R241 PolarHBondContact OE1-NH1 2.8Å; E238-R241 WeakPolarHBondContact OE2-CD 3.24Å; E238-R241 IonicContact OE2-NH1 3.45Å; R241-I244 PolarHBondContact O-N 3.43Å; R241-N245 PolarHBondContact O-N 2.82Å; R241-N245 PolarHBondContact O-ND2 2.87Å; R241-E266 IonicContact NH2-OE1 2.82Å |
| 242 | S | 75.7 | Confident | 67.1 | Low | 42 Ų | 42 | 81.5 Ų | 81.5 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.9 | -31.6 | 178.5 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | M87 E238 L239 N245 S246 | M87-S242 WeakPolarHBondContact CE-OG 3.37Å; E238-S242 WeakPolarHBondContact O-CB 3.43Å; E238-S242 PolarHBondContact O-N 3.32Å; E238-S242 PolarHBondContact O-OG 2.81Å; L239-S242 WeakPolarHBondContact CA-OG 3.32Å; L239-S242 PolarHBondContact O-OG 2.96Å; L239-S242 VanDerWaalsContact O-OG 3.12Å; S242-N245 PolarHBondContact O-N 3.12Å; S242-S246 PolarHBondContact O-N 3Å; S242-S246 PolarHBondContact O-OG 3.41Å |
| 243 | K | 71.5 | Confident | 64.2 | Low | 69 Ų | 69 | 86.9 Ų | 86.9 | 30% | 0.3 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 169.6 | -173.6 | 165.9 | 174.7 | 170.6 | 0 | 112.5 | S88 L91 L239 K240 S246 S247 | S88-K243 PolarHBondContact OG-NZ 3.24Å; L91-K243 HydrophobicContact CD2-CD 4.38Å; L239-K243 WeakPolarHBondContact O-CB 3.31Å; L239-K243 PolarHBondContact O-N 3.48Å; L239-K243 VanDerWaalsContact O-N 3.1Å; K240-K243 PolarHBondContact O-N 2.86Å; K243-S246 WeakPolarHBondContact CA-OG 3.41Å; K243-S246 PolarHBondContact O-OG 3.43Å; K243-S247 PolarHBondContact O-N 3.12Å; K243-S247 VanDerWaalsContact O-N 3.15Å; K243-S247 PolarHBondContact O-OG 3.35Å |
| 244 | I | 68.4 | Low | 61.6 | Low | 101 Ų | 101 | 88.9 Ų | 88.9 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 173.4 | -67.3 | 164.5 | 0 | 0 | 0 | 110.8 | K240 R241 S246 S247 S248 | K240-I244 WeakPolarHBondContact O-CG1 3.33Å; K240-I244 PolarHBondContact O-N 2.86Å; K240-I244 VanDerWaalsContact O-N 3.1Å; R241-I244 PolarHBondContact O-N 3.43Å; I244-S246 PolarHBondContact O-N 3.44Å; I244-S247 PolarHBondContact O-N 2.88Å; I244-S247 PolarHBondContact O-OG 2.84Å; I244-S248 WeakPolarHBondContact O-CB 3.47Å; I244-S248 PolarHBondContact O-N 3.44Å; I244-S248 PolarHBondContact O-OG 2.84Å |
| 245 | N | 58.8 | Low | 59 | Low | 97 Ų | 97 | 90.7 Ų | 90.7 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | -178.9 | -71.6 | -21.4 | 0 | 0 | 0 | 113.2 | R241 S242 S248 | R241-N245 PolarHBondContact O-N 2.82Å; R241-N245 PolarHBondContact O-ND2 2.87Å; S242-N245 PolarHBondContact O-N 3.12Å; N245-S248 WeakPolarHBondContact O-CB 3.3Å; N245-S248 PolarHBondContact O-N 3.3Å |
| 246 | S | 55.2 | Low | 56.5 | Low | 45 Ų | 45 | 93 Ų | 93 | 32% | 0.315 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.1 | -32.6 | 178.7 | 46.3 | 0 | 0 | 0 | 0 | 113.5 | S242 K243 I244 S248 T249 | S242-S246 PolarHBondContact O-N 3Å; S242-S246 PolarHBondContact O-OG 3.41Å; K243-S246 WeakPolarHBondContact CA-OG 3.41Å; K243-S246 PolarHBondContact O-OG 3.43Å; I244-S246 PolarHBondContact O-N 3.44Å; S246-S248 PolarHBondContact O-N 3.05Å; S246-T249 PolarHBondContact O-OG1 3.15Å |
| 247 | S | 45.5 | Very low | 53.9 | Low | 84 Ų | 84 | 99.4 Ų | 99.4 | 59% | 0.587 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.1 | -20.6 | 169.4 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | K243 I244 | K243-S247 PolarHBondContact O-N 3.12Å; K243-S247 VanDerWaalsContact O-N 3.15Å; K243-S247 PolarHBondContact O-OG 3.35Å; I244-S247 PolarHBondContact O-N 2.88Å; I244-S247 PolarHBondContact O-OG 2.84Å |
| 248 | S | 42.5 | Very low | 51.7 | Low | 53 Ų | 53 | 99.7 Ų | 99.7 | 37% | 0.371 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.4 | 0.9 | -175.1 | -60.9 | 0 | 0 | 0 | 0 | 115.2 | I244 N245 S246 | I244-S248 WeakPolarHBondContact O-CB 3.47Å; I244-S248 PolarHBondContact O-N 3.44Å; I244-S248 PolarHBondContact O-OG 2.84Å; N245-S248 WeakPolarHBondContact O-CB 3.3Å; N245-S248 PolarHBondContact O-N 3.3Å; S246-S248 PolarHBondContact O-N 3.05Å |
| 249 | T | 41 | Very low | 49.2 | Very low | 91 Ų | 91 | 104 Ų | 104 | 56% | 0.558 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -113 | -9.6 | -175.4 | 47.6 | 0 | 0 | 0 | 0 | 114.9 | S246 | S246-T249 PolarHBondContact O-OG1 3.15Š|
| 250 | A | 37.8 | Very low | 46.6 | Very low | 86 Ų | 86 | 112.9 Ų | 112.9 | 71% | 0.711 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -76.1 | -18.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 251 | N | 34 | Very low | 44.1 | Very low | 159 Ų | 159 | 114.7 Ų | 114.7 | 85% | 0.85 | 62% | 0.622 | S | S | * | * | trans | -115.7 | 88.1 | 179 | -77.3 | -26.5 | 0 | 0 | 0 | 110.7 | ||||
| 252 | I | 30.9 | Very low | 41.9 | Very low | 134 Ų | 134 | 118.9 Ų | 118.9 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | trans | -132.2 | 86.7 | 172.5 | -54.3 | 179.5 | 0 | 0 | 0 | 109.8 | ||||
| 253 | C | 28.6 | Very low | 39.7 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 76% | 0.764 | 67% | 0.671 | S | S | * | * | trans | -163.9 | 138.3 | 147.4 | -139.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 254 | N | 31.7 | Very low | 37.7 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 77% | 0.765 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 69 | 152.4 | 173.6 | -60.7 | 0.7 | 0 | 0 | 0 | 118.4 | ||
| 255 | D | 34 | Very low | 35.9 | Very low | 145 Ų | 145 | 126 Ų | 126 | 78% | 0.775 | 70% | 0.702 | S | S | * | * | trans | 59.5 | 60 | 168.6 | -57.4 | -15.2 | 0 | 0 | 0 | 118.9 | ||||
| 256 | N | 32.4 | Very low | 34.4 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | 24.5 | 128.1 | 122.1 | -61.7 | -49.3 | 0 | 0 | 0 | 119.4 | |||||
| 257 | N | 32 | Very low | 33.1 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 59.7 | 102.7 | 159 | -65.9 | -18.5 | 0 | 0 | 0 | 117.6 | ||
| 258 | I | 35.8 | Very low | 32.2 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | S | Bend | 175.4 | -30.2 | 122 | -90.1 | 155.4 | 0 | 0 | 0 | 111.5 | |||
| 259 | H | 31.1 | Very low | 31.5 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -108.6 | 66 | -166.8 | -68.5 | -72.1 | 0 | 0 | 0 | 115.7 | ||
| 260 | R | 28.6 | Very low | 31 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -147.1 | 33.8 | 172.9 | -145.2 | 178.8 | -164.7 | 156.3 | 11.4 | 116 | ||
| 261 | T | 32.7 | Very low | 30.6 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -140.3 | 29 | -164.4 | 18.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 262 | M | 31 | Very low | 30.3 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -130.5 | -1.5 | -177.4 | -74.2 | -66.9 | -113.5 | 0 | 0 | 115.9 | ||
| 263 | I | 31.4 | Very low | 30.2 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -139.1 | 135.9 | 175.9 | -54.3 | 179.6 | 0 | 0 | 0 | 107.9 | ||
| 264 | S | 28.8 | Very low | 30.2 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 67.4 | 73.3 | -178 | -61.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 265 | S | 29.4 | Very low | 30 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -148.7 | 74.9 | 150.3 | 60.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 266 | E | 28.2 | Very low | 29.8 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | 64.2 | 109.6 | 85.5 | -66.3 | -170 | 154.6 | 0 | 0 | 113.5 | R241 Q268 | R241-E266 IonicContact NH2-OE1 2.82Å; E266-Q268 PolarHBondContact O-N 2.95Å | |||
| 267 | T | 27.2 | Very low | 29.6 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -75.8 | 94.8 | 164.6 | 46.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 268 | Q | 27.8 | Very low | 29.5 | Very low | 176 Ų | 176 | 146 Ų | 146 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -171.7 | 151.7 | 153 | -112.6 | 178.4 | 41.8 | 0 | 0 | 114.1 | E266 | E266-Q268 PolarHBondContact O-N 2.95Š| ||
| 269 | V | 28 | Very low | 29.4 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | 63.4 | 127.8 | 145.5 | 167.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 270 | D | 29.4 | Very low | 29.5 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | cis | -162.8 | -172.5 | -23.8 | -141.6 | -49.8 | 0 | 0 | 0 | 109 | ||||
| 271 | K | 29.6 | Very low | 29.7 | Very low | 159 Ų | 159 | 135 Ų | 135 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | trans | -70.2 | 135 | 159.6 | -47.7 | 125.9 | -174.3 | 159.5 | 0 | 109 | ||||
| 272 | D | 28.7 | Very low | 29.6 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | 178.2 | 143.4 | 118.2 | -101.1 | -9.9 | 0 | 0 | 0 | 114.2 | |||||
| 273 | F | 27.6 | Very low | 29.8 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | 59.3 | 131.1 | 167.4 | -74.6 | -117.7 | 0 | 0 | 0 | 117.7 | ||||
| 274 | I | 28.4 | Very low | 29.8 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | cis | 70.9 | 82.5 | 19.3 | -49.5 | 177.4 | 0 | 0 | 0 | 114.8 | ||||
| 275 | K | 27.9 | Very low | 30 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 74% | 0.735 | 71% | 0.713 | S | S | * | * | 155.6 | 138.9 | 126.1 | -94.8 | 169.1 | 177.8 | -176.6 | 0 | 116.4 | |||||
| 276 | D | 29.7 | Very low | 30 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | 59.8 | 146.9 | 140.2 | -47.5 | -19.8 | 0 | 0 | 0 | 119.9 | ||||
| 277 | V | 29.2 | Very low | 30.3 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | cis | -164.5 | 162.2 | -12 | 123.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 278 | D | 29.2 | Very low | 30.4 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | trans | -50.8 | 162.2 | 177.6 | -36 | -12.1 | 0 | 0 | 0 | 118.4 | ||||
| 279 | T | 33.4 | Very low | 30.3 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 53% | 0.534 | 71% | 0.711 | S | S | . | * | 158.9 | 126.6 | 127 | 40 | 0 | 0 | 0 | 0 | 115.9 | S1645 E1646 | T279-S1645 CarbonylContact O-C 3.6Å; T279-S1645 WeakPolarHBondContact O-CA 3.33Å; T279-S1645 WeakPolarHBondContact O-CB 3.45Å; T279-S1645 PolarHBondContact O-OG 3.03Å; T279-E1646 VanDerWaalsContact C-C 3.48Å; T279-E1646 CarbonylContact C-O 3.49Å; T279-E1646 VanDerWaalsContact C-O 3.27Å; T279-E1646 WeakPolarHBondContact CA-O 3.47Å; T279-E1646 PolarHBondContact N-O 3.18Å; T279-E1646 PolarHBondContact O-N 3.46Å; T279-E1646 VanDerWaalsContact O-N 3.08Å | |||
| 280 | D | 32.7 | Very low | 30.4 | Very low | 62 Ų | 62 | 142 Ų | 142 | 33% | 0.332 | 72% | 0.715 | S | S | . | * | trans | -48.8 | 166.1 | -167.5 | -128.9 | -51.7 | 0 | 0 | 0 | 121.8 | E1646 S1647 S1648 | D280-E1646 VanDerWaalsContact N-C 3.35Å; D280-E1646 PolarHBondContact N-O 3.4Å; D280-S1647 WeakPolarHBondContact CB-OG 3.24Å; D280-S1647 WeakPolarHBondContact OD2-CB 3.35Å; D280-S1647 VanDerWaalsContact OD2-O 3.09Å; D280-S1647 PolarHBondContact OD2-OG 3.36Å; D280-S1648 PolarHBondContact OD2-N 2.99Å | ||
| 281 | I | 33.9 | Very low | 30.4 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | 177.3 | 137.6 | 117.8 | -90.3 | 158.1 | 0 | 0 | 0 | 114 | |||||
| 282 | K | 30.7 | Very low | 30.3 | Very low | 177 Ų | 177 | 140 Ų | 140 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -83.7 | 159.5 | 171.7 | -56.4 | 167.4 | -177.6 | 170.6 | 0 | 112.7 | ||||
| 283 | N | 33.9 | Very low | 30.2 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | -168.5 | 138 | 135.5 | -102.8 | -36.9 | 0 | 0 | 0 | 117 | ||||
| 284 | N | 31.9 | Very low | 30.3 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | 49.6 | 128.6 | 155 | -110.5 | 20.8 | 0 | 0 | 0 | 123.8 | ||||
| 285 | P | 34.4 | Very low | 30.3 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | trans | -91.8 | -169.4 | 161 | 40.2 | -35.1 | 0 | 0 | 0 | 112.8 | ||||
| 286 | D | 29.5 | Very low | 30.3 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | trans | 61.3 | 101.1 | 167.6 | -66.4 | -18.7 | 0 | 0 | 0 | 119 | ||||
| 287 | Q | 32.6 | Very low | 30.2 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | trans | -161.5 | 125.5 | 139.2 | -113.5 | 167.8 | 94.3 | 0 | 0 | 114.3 | ||||
| 288 | I | 30.3 | Very low | 30.3 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | trans | 58 | 96.7 | 139.9 | -63.5 | 170 | 0 | 0 | 0 | 116.4 | ||||
| 289 | Q | 25.8 | Very low | 30.2 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | 43 | 108.4 | 87.2 | -68.6 | -170.9 | -5 | 0 | 0 | 116.5 | |||||
| 290 | K | 29.9 | Very low | 30.4 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | -179.5 | 142.8 | 121.9 | -108 | 172.2 | -178.4 | 174.8 | 0 | 115.4 | |||||
| 291 | L | 29.7 | Very low | 30.2 | Very low | 156 Ų | 156 | 144.5 Ų | 144.5 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | 67.4 | 152.5 | 153.8 | -59 | 162.5 | 0 | 0 | 0 | 118.5 | ||||
| 292 | S | 27.5 | Very low | 30 | Very low | 85 Ų | 85 | 141.2 Ų | 141.2 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | cis | 173.4 | 119.4 | -44 | 158.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 293 | L | 26.2 | Very low | 29.9 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 68.8 | 155 | 153 | -68.2 | 169.7 | 0 | 0 | 0 | 120.9 | ||||
| 294 | K | 29.2 | Very low | 29.7 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | 72.7 | 143.2 | 164.3 | -69 | 167.5 | 155.1 | -81 | 0 | 117 | ||||
| 295 | E | 28.7 | Very low | 29.4 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | cis | -151.5 | 124 | -6.2 | -124.1 | 153.3 | 168.5 | 0 | 0 | 114 | ||||
| 296 | T | 27.9 | Very low | 29.2 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | 50.2 | 119 | 130.2 | 62.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 297 | A | 28.9 | Very low | 29.1 | Very low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | 67.1 | 126.6 | 121.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 298 | S | 29.3 | Very low | 29 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | -165 | 136.3 | 112 | 45.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 299 | L | 29 | Very low | 29.1 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -117.3 | 162 | 167.1 | -109.8 | 101.2 | 0 | 0 | 0 | 107 | K301 | L299-K301 HydrophobicContact CD2-CG 4.07Š| ||
| 300 | P | 36.5 | Very low | 29.3 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | -141.3 | 152.9 | 71.4 | 19.3 | 6.5 | 0 | 0 | 0 | 114.8 | |||||
| 301 | K | 28.6 | Very low | 29.3 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | 59.7 | 123.9 | 76.8 | -61.3 | -166.4 | 177.1 | -171.1 | 0 | 117 | L299 | L299-K301 HydrophobicContact CD2-CG 4.07Š| |||
| 302 | G | 29.1 | Very low | 29.4 | Very low | 79 Ų | 79 | 136.2 Ų | 136.2 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | -153.4 | 127.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 303 | S | 29.6 | Very low | 29.5 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -162.6 | 139.2 | -165.5 | 52.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 304 | V | 29.9 | Very low | 29.5 | Very low | 148 Ų | 148 | 138 Ų | 138 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -134.9 | 136.4 | 170.8 | -179.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 305 | E | 25.6 | Very low | 29.6 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 77% | 0.771 | 80% | 0.795 | S | S | * | * | trans | -111.7 | 154.9 | -179.1 | -56.2 | 168.6 | 117.7 | 0 | 0 | 110.3 | ||||
| 306 | I | 29.2 | Very low | 29.6 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -135.8 | 129 | 146 | -61.9 | -174.8 | 0 | 0 | 0 | 108.3 | ||||
| 307 | S | 28.1 | Very low | 30.1 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | trans | -117 | 148.6 | 178.8 | -45.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 308 | K | 30.8 | Very low | 30.2 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -176.2 | 134.7 | 160.4 | -100.4 | 148.5 | -174.6 | 176 | 0 | 107.4 | ||||
| 309 | S | 32.2 | Very low | 30.3 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | cis | -146.1 | 151 | 0.1 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 310 | S | 29.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -139.3 | 107.7 | 170.3 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 311 | E | 30.8 | Very low | 30.1 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -128.6 | 118.2 | 165.6 | -69.4 | -170.2 | 150.1 | 0 | 0 | 108.6 | ||||
| 312 | L | 31.1 | Very low | 30.4 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | 173 | 115.4 | 123.6 | -89.4 | 166.2 | 0 | 0 | 0 | 111.2 | |||||
| 313 | L | 29.2 | Very low | 30.8 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | 67.8 | 86.6 | 148 | -52.8 | 178.7 | 0 | 0 | 0 | 119.5 | ||||
| 314 | S | 25.8 | Very low | 31.3 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -95.5 | 109.7 | 155.3 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 315 | S | 32 | Very low | 31.7 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -178.1 | 146.9 | 166.2 | 57.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 316 | S | 29.2 | Very low | 32.2 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | cis | -160.8 | 173.6 | -11.7 | -116 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 317 | P | 37.2 | Very low | 32.4 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -102.3 | -168.9 | -163.5 | 36.8 | -31.1 | 0 | 0 | 0 | 115.7 | ||||
| 318 | V | 32.4 | Very low | 32.6 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | trans | 86.5 | 110.8 | 166 | -168.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 319 | L | 30.7 | Very low | 32.9 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -150.3 | 81.6 | 132.7 | -85.9 | -165.9 | 0 | 0 | 0 | 110.6 | ||||
| 320 | N | 30.7 | Very low | 33.5 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -109.2 | 43.3 | 168.4 | -164.7 | 17.3 | 0 | 0 | 0 | 111.2 | ||||
| 321 | A | 30.8 | Very low | 34 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | -163.9 | 82.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 322 | S | 35.2 | Very low | 34.8 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -154.8 | 20.4 | 170.7 | -159 | 0 | 0 | 0 | 0 | 116.6 | S324 | S322-S324 VanDerWaalsContact C-N 3.32Š| ||
| 323 | L | 36.1 | Very low | 36 | Very low | 176 Ų | 176 | 124.6 Ų | 124.6 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -84.5 | -0.7 | 175.1 | -72.4 | 174.6 | 0 | 0 | 0 | 114.1 | ||
| 324 | S | 39.9 | Very low | 37.3 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -104.6 | -18.8 | -165.9 | -51 | 0 | 0 | 0 | 0 | 115.6 | S322 | S322-S324 VanDerWaalsContact C-N 3.32Š|
| 325 | N | 38.4 | Very low | 38.9 | Very low | 145 Ų | 145 | 117.1 Ų | 117.1 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | -103.4 | 16.6 | -171.3 | -70.2 | -0.5 | 0 | 0 | 0 | 113.9 | F327 | N325-F327 PolarHBondContact O-N 3.31Š| ||
| 326 | L | 35.9 | Very low | 40.8 | Very low | 165 Ų | 165 | 117.6 Ų | 117.6 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -81.5 | 41.8 | -176.9 | -154.4 | 88.5 | 0 | 0 | 0 | 113.6 | ||||
| 327 | F | 35 | Very low | 42.8 | Very low | 168 Ų | 168 | 117.5 Ų | 117.5 | 74% | 0.737 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -142.3 | 135.7 | 175 | -104.4 | -93.7 | 0 | 0 | 0 | 110.1 | N325 | N325-F327 PolarHBondContact O-N 3.31Š|
| 328 | Y | 32.1 | Very low | 44.3 | Very low | 226 Ų | 226 | 114.3 Ų | 114.3 | 89% | 0.886 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 66.9 | 70 | 178.8 | -50.2 | -76.8 | 0 | 0 | 0 | 117 | ||
| 329 | G | 36.2 | Very low | 46.2 | Very low | 71 Ų | 71 | 110.8 Ų | 110.8 | 73% | 0.732 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -164 | 124.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A331 | G329-A331 PolarHBondContact O-N 2.98Š|
| 330 | S | 45.1 | Very low | 48.5 | Very low | 83 Ų | 83 | 107.9 Ų | 107.9 | 58% | 0.58 | 66% | 0.657 | S | S | * | * | trans | -32.1 | 116.6 | -175.8 | -178.8 | 0 | 0 | 0 | 0 | 115.8 | S332 A333 A334 | S330-S332 PolarHBondContact O-N 2.9Å; S330-S332 VanDerWaalsContact O-N 3.1Å; S330-A333 WeakPolarHBondContact O-CB 3.23Å; S330-A333 PolarHBondContact O-N 3.11Å; S330-A334 PolarHBondContact O-N 2.93Å | ||
| 331 | A | 40.4 | Very low | 50.7 | Low | 85 Ų | 85 | 106.1 Ų | 106.1 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -57.7 | -26.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G329 A333 A335 | G329-A331 PolarHBondContact O-N 2.98Å; A331-A333 VanDerWaalsContact C-N 3.35Å; A331-A335 WeakPolarHBondContact O-CB 3.38Å; A331-A335 PolarHBondContact O-N 3.41Å |
| 332 | S | 47.8 | Very low | 52.9 | Low | 92 Ų | 92 | 107.2 Ų | 107.2 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.2 | -27.6 | 176 | -171.6 | 0 | 0 | 0 | 0 | 113.3 | S330 L336 | S330-S332 PolarHBondContact O-N 2.9Å; S330-S332 VanDerWaalsContact O-N 3.1Å; S332-L336 PolarHBondContact O-N 2.87Å |
| 333 | A | 56.4 | Low | 55 | Low | 59 Ų | 59 | 108 Ų | 108 | 49% | 0.488 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -75.4 | -47.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S330 A331 A335 L336 E337 | S330-A333 WeakPolarHBondContact O-CB 3.23Å; S330-A333 PolarHBondContact O-N 3.11Å; A331-A333 VanDerWaalsContact C-N 3.35Å; A333-A335 VanDerWaalsContact C-N 3.29Å; A333-A335 PolarHBondContact O-N 2.79Å; A333-L336 PolarHBondContact O-N 3.38Å; A333-L336 VanDerWaalsContact O-N 3.14Å; A333-E337 PolarHBondContact O-N 2.86Å |
| 334 | A | 55.3 | Low | 57.2 | Low | 62 Ų | 62 | 104.5 Ų | 104.5 | 51% | 0.512 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -58.8 | -38.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S330 A338 | S330-A334 PolarHBondContact O-N 2.93Å; A334-A338 WeakPolarHBondContact O-CB 3.42Å; A334-A338 PolarHBondContact O-N 3.07Å |
| 335 | A | 61 | Low | 58.9 | Low | 62 Ų | 62 | 105 Ų | 105 | 51% | 0.512 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.9 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A331 A333 A339 | A331-A335 WeakPolarHBondContact O-CB 3.38Å; A331-A335 PolarHBondContact O-N 3.41Å; A333-A335 VanDerWaalsContact C-N 3.29Å; A333-A335 PolarHBondContact O-N 2.79Å; A335-A339 WeakPolarHBondContact O-CB 3.44Å; A335-A339 PolarHBondContact O-N 2.85Å |
| 336 | L | 70.3 | Confident | 60.8 | Low | 113 Ų | 113 | 103.2 Ų | 103.2 | 59% | 0.592 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.7 | -38.9 | 178.4 | -169.5 | 67.6 | 0 | 0 | 0 | 112 | S332 A333 A339 N340 | S332-L336 PolarHBondContact O-N 2.87Å; A333-L336 PolarHBondContact O-N 3.38Å; A333-L336 VanDerWaalsContact O-N 3.14Å; L336-A339 PolarHBondContact O-N 3.35Å; L336-N340 PolarHBondContact O-N 2.66Å |
| 337 | E | 72 | Confident | 63 | Low | 113 Ų | 113 | 100.3 Ų | 100.3 | 53% | 0.528 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.7 | -38.8 | 173.8 | -171.7 | 174.6 | -178.6 | 0 | 0 | 111.6 | A333 N340 R341 | A333-E337 PolarHBondContact O-N 2.86Å; E337-N340 PolarHBondContact O-N 2.94Å; E337-R341 PolarHBondContact O-N 3.37Å; E337-R341 IonicContact OE1-CZ 2.7Å; E337-R341 IonicContact OE1-NH1 3.64Å; E337-R341 PolarHBondContact OE1-NH1 3.04Å |
| 338 | A | 67.9 | Low | 65.3 | Low | 48 Ų | 48 | 96.2 Ų | 96.2 | 40% | 0.397 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A334 N340 R341 I342 | A334-A338 WeakPolarHBondContact O-CB 3.42Å; A334-A338 PolarHBondContact O-N 3.07Å; A338-N340 PolarHBondContact O-N 3.29Å; A338-R341 PolarHBondContact O-N 2.95Å; A338-I342 VanDerWaalsContact O-CG1 3.29Å; A338-I342 WeakPolarHBondContact O-CG1 3.39Å; A338-I342 PolarHBondContact O-N 2.93Å |
| 339 | A | 72.5 | Confident | 67.5 | Low | 49 Ų | 49 | 91.4 Ų | 91.4 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A335 L336 I342 K343 | A335-A339 WeakPolarHBondContact O-CB 3.44Å; A335-A339 PolarHBondContact O-N 2.85Å; L336-A339 PolarHBondContact O-N 3.35Å; A339-I342 PolarHBondContact O-N 3.46Å; A339-K343 PolarHBondContact O-N 3.44Å |
| 340 | N | 79.2 | Confident | 69.7 | Low | 97 Ų | 97 | 93.5 Ų | 93.5 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 174 | -73.7 | -16.4 | 0 | 0 | 0 | 111.8 | L336 E337 A338 K343 E344 | L336-N340 PolarHBondContact O-N 2.66Å; E337-N340 PolarHBondContact O-N 2.94Å; A338-N340 PolarHBondContact O-N 3.29Å; N340-K343 PolarHBondContact O-N 3.43Å; N340-E344 WeakPolarHBondContact O-CB 3.38Å; N340-E344 PolarHBondContact O-N 3.46Å |
| 341 | R | 78.1 | Confident | 71.5 | Confident | 125 Ų | 125 | 95 Ų | 95 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 173.3 | -106.7 | 56 | 176.9 | -104.4 | 6 | 113.1 | E337 A338 E344 L345 | E337-R341 PolarHBondContact O-N 3.37Å; E337-R341 IonicContact OE1-CZ 2.7Å; E337-R341 IonicContact OE1-NH1 3.64Å; E337-R341 PolarHBondContact OE1-NH1 3.04Å; A338-R341 PolarHBondContact O-N 2.95Å; R341-E344 WeakPolarHBondContact CD-OE2 3.36Å; R341-E344 IonicContact NE-OE2 3.8Å; R341-E344 PolarHBondContact NE-OE2 3.28Å; R341-E344 PolarHBondContact O-N 3.12Å; R341-L345 VanDerWaalsContact O-CB 3.26Å; R341-L345 WeakPolarHBondContact O-CB 3.46Å; R341-L345 WeakPolarHBondContact O-CD1 3.46Å; R341-L345 WeakPolarHBondContact O-CG 3.07Å; R341-L345 PolarHBondContact O-N 3.38Å |
| 342 | I | 75.5 | Confident | 73.4 | Confident | 108 Ų | 108 | 98.8 Ų | 98.8 | 55% | 0.554 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 174.3 | -71 | 163.3 | 0 | 0 | 0 | 110.1 | A338 A339 L345 Q346 | A338-I342 VanDerWaalsContact O-CG1 3.29Å; A338-I342 WeakPolarHBondContact O-CG1 3.39Å; A338-I342 PolarHBondContact O-N 2.93Å; A339-I342 PolarHBondContact O-N 3.46Å; I342-L345 PolarHBondContact O-N 2.87Å; I342-Q346 VanDerWaalsContact O-CB 3.24Å; I342-Q346 WeakPolarHBondContact O-CB 3.36Å; I342-Q346 PolarHBondContact O-N 2.81Å |
| 343 | K | 80.4 | Confident | 75 | Confident | 110 Ų | 110 | 96.7 Ų | 96.7 | 48% | 0.478 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -45.3 | 176.4 | -174.2 | 174.7 | 178.7 | -69.9 | 0 | 112.5 | A339 N340 Q346 E347 | A339-K343 PolarHBondContact O-N 3.44Å; N340-K343 PolarHBondContact O-N 3.43Å; K343-Q346 PolarHBondContact O-N 3.49Å; K343-E347 WeakPolarHBondContact CE-OE1 3.48Å; K343-E347 VanDerWaalsContact NZ-CD 3.26Å; K343-E347 IonicContact NZ-OE1 3.23Å; K343-E347 PolarHBondContact NZ-OE1 2.74Å; K343-E347 IonicContact NZ-OE2 2.73Å; K343-E347 PolarHBondContact NZ-OE2 3.38Å; K343-E347 WeakPolarHBondContact O-CG 3.15Å; K343-E347 PolarHBondContact O-N 3.37Å |
| 344 | E | 81.2 | Confident | 76.3 | Confident | 104 Ų | 104 | 97.5 Ų | 97.5 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 176 | -179.2 | 177.6 | -143.8 | 0 | 0 | 111.6 | N340 R341 N348 | N340-E344 WeakPolarHBondContact O-CB 3.38Å; N340-E344 PolarHBondContact O-N 3.46Å; R341-E344 WeakPolarHBondContact CD-OE2 3.36Å; R341-E344 IonicContact NE-OE2 3.8Å; R341-E344 PolarHBondContact NE-OE2 3.28Å; R341-E344 PolarHBondContact O-N 3.12Å; E344-N348 WeakPolarHBondContact O-CB 3.47Å; E344-N348 PolarHBondContact O-N 2.88Å; E344-N348 PolarHBondContact O-ND2 3.02Å |
| 345 | L | 77 | Confident | 77.6 | Confident | 119 Ų | 119 | 98.2 Ų | 98.2 | 62% | 0.623 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -36.8 | 173.5 | -74.6 | 168.9 | 0 | 0 | 0 | 112.3 | R341 I342 N348 L349 | R341-L345 VanDerWaalsContact O-CB 3.26Å; R341-L345 WeakPolarHBondContact O-CB 3.46Å; R341-L345 WeakPolarHBondContact O-CD1 3.46Å; R341-L345 WeakPolarHBondContact O-CG 3.07Å; R341-L345 PolarHBondContact O-N 3.38Å; I342-L345 PolarHBondContact O-N 2.87Å; L345-N348 PolarHBondContact O-N 3.44Å; L345-L349 WeakPolarHBondContact O-CB 3.41Å; L345-L349 PolarHBondContact O-N 3.02Å |
| 346 | Q | 77.3 | Confident | 78.5 | Confident | 108 Ų | 108 | 101 Ų | 101 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 179.1 | -173.4 | 172.5 | -15 | 0 | 0 | 111.8 | I342 K343 N348 L349 E350 | I342-Q346 VanDerWaalsContact O-CB 3.24Å; I342-Q346 WeakPolarHBondContact O-CB 3.36Å; I342-Q346 PolarHBondContact O-N 2.81Å; K343-Q346 PolarHBondContact O-N 3.49Å; Q346-N348 VanDerWaalsContact C-N 3.35Å; Q346-L349 WeakPolarHBondContact O-CB 3.32Å; Q346-L349 PolarHBondContact O-N 3.17Å; Q346-L349 VanDerWaalsContact O-N 3.1Å; Q346-E350 PolarHBondContact O-N 2.75Å |
| 347 | E | 82.7 | Confident | 79 | Confident | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 172.6 | -73.2 | 174 | 163.2 | 0 | 0 | 111.3 | K343 L349 E350 Q351 | K343-E347 WeakPolarHBondContact CE-OE1 3.48Å; K343-E347 VanDerWaalsContact NZ-CD 3.26Å; K343-E347 IonicContact NZ-OE1 3.23Å; K343-E347 PolarHBondContact NZ-OE1 2.74Å; K343-E347 IonicContact NZ-OE2 2.73Å; K343-E347 PolarHBondContact NZ-OE2 3.38Å; K343-E347 WeakPolarHBondContact O-CG 3.15Å; K343-E347 PolarHBondContact O-N 3.37Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 3.15Å; E347-E350 PolarHBondContact O-N 3.48Å; E347-Q351 PolarHBondContact O-N 3.34Å |
| 348 | N | 82.3 | Confident | 79.6 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 170.6 | -86.6 | -87.1 | 0 | 0 | 0 | 112.4 | E344 L345 Q346 Q351 R352 | E344-N348 WeakPolarHBondContact O-CB 3.47Å; E344-N348 PolarHBondContact O-N 2.88Å; E344-N348 PolarHBondContact O-ND2 3.02Å; L345-N348 PolarHBondContact O-N 3.44Å; Q346-N348 VanDerWaalsContact C-N 3.35Å; N348-Q351 PolarHBondContact O-N 2.97Å; N348-R352 WeakPolarHBondContact O-CB 3.32Å; N348-R352 VanDerWaalsContact O-CG 3.26Å; N348-R352 WeakPolarHBondContact O-CG 3.46Å; N348-R352 PolarHBondContact O-N 3.32Å |
| 349 | L | 79.4 | Confident | 80.2 | Confident | 124 Ų | 124 | 97.1 Ų | 97.1 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.8 | -40 | 178.5 | -135.6 | 167.6 | 0 | 0 | 0 | 111.4 | L345 Q346 E347 R352 A353 | L345-L349 WeakPolarHBondContact O-CB 3.41Å; L345-L349 PolarHBondContact O-N 3.02Å; Q346-L349 WeakPolarHBondContact O-CB 3.32Å; Q346-L349 PolarHBondContact O-N 3.17Å; Q346-L349 VanDerWaalsContact O-N 3.1Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 3.15Å; L349-R352 PolarHBondContact O-N 3Å; L349-A353 VanDerWaalsContact O-CB 3.3Å; L349-A353 WeakPolarHBondContact O-CB 3.4Å; L349-A353 PolarHBondContact O-N 3.26Å |
| 350 | E | 82.1 | Confident | 80.8 | Confident | 116 Ų | 116 | 102.8 Ų | 102.8 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 174.3 | -72 | 177.3 | -169.2 | 0 | 0 | 112.1 | Q346 E347 A353 S354 | Q346-E350 PolarHBondContact O-N 2.75Å; E347-E350 PolarHBondContact O-N 3.48Å; E350-A353 PolarHBondContact O-N 2.83Å; E350-S354 WeakPolarHBondContact O-CB 3.46Å; E350-S354 PolarHBondContact O-N 3.26Å; E350-S354 PolarHBondContact O-OG 2.97Å |
| 351 | Q | 83.4 | Confident | 81.1 | Confident | 113 Ų | 113 | 106.9 Ų | 106.9 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -49.3 | 170.4 | -174.6 | -177.6 | -36.4 | 0 | 0 | 111.2 | E347 N348 A353 S354 E355 | E347-Q351 PolarHBondContact O-N 3.34Å; N348-Q351 PolarHBondContact O-N 2.97Å; Q351-A353 VanDerWaalsContact C-N 3.32Å; Q351-A353 PolarHBondContact O-N 3.09Å; Q351-S354 WeakPolarHBondContact O-CA 3.32Å; Q351-S354 WeakPolarHBondContact O-CB 3.4Å; Q351-S354 PolarHBondContact O-N 2.74Å; Q351-E355 PolarHBondContact NE2-OE1 3.13Å; Q351-E355 WeakPolarHBondContact O-CG 3.37Å; Q351-E355 PolarHBondContact O-N 2.98Å |
| 352 | R | 79.7 | Confident | 81.3 | Confident | 166 Ų | 166 | 107 Ų | 107 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -35.6 | 178 | -71.3 | -57 | -168.3 | 169 | 4.2 | 113 | N348 L349 S354 E355 L356 | N348-R352 WeakPolarHBondContact O-CB 3.32Å; N348-R352 VanDerWaalsContact O-CG 3.26Å; N348-R352 WeakPolarHBondContact O-CG 3.46Å; N348-R352 PolarHBondContact O-N 3.32Å; L349-R352 PolarHBondContact O-N 3Å; R352-S354 VanDerWaalsContact C-N 3.31Å; R352-E355 WeakPolarHBondContact CD-OE2 3.48Å; R352-E355 IonicContact CZ-OE2 3.41Å; R352-E355 IonicContact NE-OE2 3.04Å; R352-E355 IonicContact NH1-OE2 3.98Å; R352-E355 PolarHBondContact NH1-OE2 3.44Å; R352-L356 VanDerWaalsContact O-CB 3.25Å; R352-L356 WeakPolarHBondContact O-CB 3.47Å; R352-L356 PolarHBondContact O-N 3.01Å |
| 353 | A | 80.7 | Confident | 81.5 | Confident | 47 Ų | 47 | 106.2 Ų | 106.2 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L349 E350 Q351 L357 | L349-A353 VanDerWaalsContact O-CB 3.3Å; L349-A353 WeakPolarHBondContact O-CB 3.4Å; L349-A353 PolarHBondContact O-N 3.26Å; E350-A353 PolarHBondContact O-N 2.83Å; Q351-A353 VanDerWaalsContact C-N 3.32Å; Q351-A353 PolarHBondContact O-N 3.09Å; A353-L357 WeakPolarHBondContact O-CB 3.31Å; A353-L357 PolarHBondContact O-N 3.18Å |
| 354 | S | 84 | Confident | 81.7 | Confident | 76 Ų | 76 | 106 Ų | 106 | 53% | 0.531 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.1 | -44.3 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | E350 Q351 R352 L357 A358 | E350-S354 WeakPolarHBondContact O-CB 3.46Å; E350-S354 PolarHBondContact O-N 3.26Å; E350-S354 PolarHBondContact O-OG 2.97Å; Q351-S354 WeakPolarHBondContact O-CA 3.32Å; Q351-S354 WeakPolarHBondContact O-CB 3.4Å; Q351-S354 PolarHBondContact O-N 2.74Å; R352-S354 VanDerWaalsContact C-N 3.31Å; S354-L357 PolarHBondContact O-N 2.66Å; S354-A358 PolarHBondContact O-N 2.77Å |
| 355 | E | 82.4 | Confident | 81.7 | Confident | 77 Ų | 77 | 106.6 Ų | 106.6 | 36% | 0.36 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 171.6 | -72 | 171.1 | -163.5 | 0 | 0 | 111.4 | Q351 R352 L357 A358 A359 | Q351-E355 PolarHBondContact NE2-OE1 3.13Å; Q351-E355 WeakPolarHBondContact O-CG 3.37Å; Q351-E355 PolarHBondContact O-N 2.98Å; R352-E355 WeakPolarHBondContact CD-OE2 3.48Å; R352-E355 IonicContact CZ-OE2 3.41Å; R352-E355 IonicContact NE-OE2 3.04Å; R352-E355 IonicContact NH1-OE2 3.98Å; R352-E355 PolarHBondContact NH1-OE2 3.44Å; E355-L357 PolarHBondContact O-N 2.97Å; E355-A358 PolarHBondContact O-N 3.2Å; E355-A359 WeakPolarHBondContact O-CB 3.35Å; E355-A359 PolarHBondContact O-N 2.76Å |
| 356 | L | 80.1 | Confident | 81.8 | Confident | 120 Ų | 120 | 106 Ų | 106 | 63% | 0.628 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.1 | -34.8 | 177.9 | -170.8 | 149.7 | 0 | 0 | 0 | 112.1 | R352 R360 | R352-L356 VanDerWaalsContact O-CB 3.25Å; R352-L356 WeakPolarHBondContact O-CB 3.47Å; R352-L356 PolarHBondContact O-N 3.01Å; L356-R360 VanDerWaalsContact O-CB 3.3Å; L356-R360 WeakPolarHBondContact O-CB 3.45Å; L356-R360 PolarHBondContact O-N 2.86Å |
| 357 | L | 81.9 | Confident | 82.1 | Confident | 92 Ų | 92 | 105.1 Ų | 105.1 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 171 | -97 | 166.2 | 0 | 0 | 0 | 112.4 | A353 S354 E355 R360 R361 | A353-L357 WeakPolarHBondContact O-CB 3.31Å; A353-L357 PolarHBondContact O-N 3.18Å; S354-L357 PolarHBondContact O-N 2.66Å; E355-L357 PolarHBondContact O-N 2.97Å; L357-R360 PolarHBondContact O-N 3.4Å; L357-R361 WeakPolarHBondContact O-CG 3.26Å; L357-R361 PolarHBondContact O-N 3.49Å; L357-R361 VanDerWaalsContact O-N 3.1Å |
| 358 | A | 83.5 | Confident | 82.1 | Confident | 54 Ų | 54 | 102.6 Ų | 102.6 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S354 E355 R360 R361 Q362 | S354-A358 PolarHBondContact O-N 2.77Å; E355-A358 PolarHBondContact O-N 3.2Å; A358-R360 VanDerWaalsContact C-N 3.31Å; A358-R360 PolarHBondContact O-N 3.28Å; A358-R361 WeakPolarHBondContact O-CB 3.27Å; A358-R361 PolarHBondContact O-N 3.2Å; A358-R361 VanDerWaalsContact O-N 3.1Å; A358-Q362 PolarHBondContact O-N 2.97Å |
| 359 | A | 81.4 | Confident | 82.1 | Confident | 48 Ų | 48 | 106.7 Ų | 106.7 | 40% | 0.397 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59 | -40.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E355 R361 Q362 V363 | E355-A359 WeakPolarHBondContact O-CB 3.35Å; E355-A359 PolarHBondContact O-N 2.76Å; A359-R361 VanDerWaalsContact C-N 3.32Å; A359-R361 PolarHBondContact O-N 3.33Å; A359-Q362 PolarHBondContact O-N 3.46Å; A359-V363 WeakPolarHBondContact O-CG2 3.5Å; A359-V363 PolarHBondContact O-N 2.89Å |
| 360 | R | 84.5 | Confident | 82 | Confident | 168 Ų | 168 | 104.3 Ų | 104.3 | 63% | 0.634 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -34.6 | 175.5 | -172.7 | 177.1 | 179.3 | -164.8 | -0.7 | 112.7 | L356 L357 A358 I364 | L356-R360 VanDerWaalsContact O-CB 3.3Å; L356-R360 WeakPolarHBondContact O-CB 3.45Å; L356-R360 PolarHBondContact O-N 2.86Å; L357-R360 PolarHBondContact O-N 3.4Å; A358-R360 VanDerWaalsContact C-N 3.31Å; A358-R360 PolarHBondContact O-N 3.28Å; R360-I364 HydrophobicContact CG-CD1 4.43Å; R360-I364 WeakPolarHBondContact O-CG1 3.39Å; R360-I364 PolarHBondContact O-N 3.15Å |
| 361 | R | 84.9 | Confident | 82 | Confident | 182 Ų | 182 | 107.5 Ų | 107.5 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67 | -46.1 | 173.2 | -69.4 | 176.6 | -168.7 | -157.2 | 4.4 | 111.3 | L357 A358 A359 V363 I364 E365 | L357-R361 WeakPolarHBondContact O-CG 3.26Å; L357-R361 PolarHBondContact O-N 3.49Å; L357-R361 VanDerWaalsContact O-N 3.1Å; A358-R361 WeakPolarHBondContact O-CB 3.27Å; A358-R361 PolarHBondContact O-N 3.2Å; A358-R361 VanDerWaalsContact O-N 3.1Å; A359-R361 VanDerWaalsContact C-N 3.32Å; A359-R361 PolarHBondContact O-N 3.33Å; R361-V363 VanDerWaalsContact C-N 3.31Å; R361-V363 PolarHBondContact O-N 3.43Å; R361-I364 WeakPolarHBondContact O-CB 3.23Å; R361-I364 PolarHBondContact O-N 2.87Å; R361-I364 VanDerWaalsContact O-N 3.08Å; R361-E365 PolarHBondContact O-N 2.9Å |
| 362 | Q | 83.4 | Confident | 81.8 | Confident | 129 Ų | 129 | 106.9 Ų | 106.9 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59 | -40.2 | 174.9 | -73.7 | -176 | -22.5 | 0 | 0 | 112.3 | A358 A359 I364 E365 L366 | A358-Q362 PolarHBondContact O-N 2.97Å; A359-Q362 PolarHBondContact O-N 3.46Å; Q362-I364 VanDerWaalsContact C-N 3.32Å; Q362-I364 PolarHBondContact O-N 3.04Å; Q362-E365 PolarHBondContact O-N 2.92Å; Q362-L366 WeakPolarHBondContact O-CB 3.15Å; Q362-L366 VanDerWaalsContact O-CG 3.27Å; Q362-L366 WeakPolarHBondContact O-CG 3.46Å; Q362-L366 PolarHBondContact O-N 3.1Å |
| 363 | V | 80.4 | Confident | 81.6 | Confident | 90 Ų | 90 | 102.6 Ų | 102.6 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 174.9 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | A359 R361 T367 | A359-V363 WeakPolarHBondContact O-CG2 3.5Å; A359-V363 PolarHBondContact O-N 2.89Å; R361-V363 VanDerWaalsContact C-N 3.31Å; R361-V363 PolarHBondContact O-N 3.43Å; V363-T367 VanDerWaalsContact O-CB 3.29Å; V363-T367 WeakPolarHBondContact O-CB 3.48Å; V363-T367 PolarHBondContact O-N 3.47Å; V363-T367 PolarHBondContact O-OG1 3.36Å |
| 364 | I | 83.3 | Confident | 81.6 | Confident | 106 Ų | 106 | 103.8 Ų | 103.8 | 54% | 0.544 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 176 | -68.2 | 163.8 | 0 | 0 | 0 | 110.9 | R360 R361 Q362 T367 S368 | R360-I364 HydrophobicContact CG-CD1 4.43Å; R360-I364 WeakPolarHBondContact O-CG1 3.39Å; R360-I364 PolarHBondContact O-N 3.15Å; R361-I364 WeakPolarHBondContact O-CB 3.23Å; R361-I364 PolarHBondContact O-N 2.87Å; R361-I364 VanDerWaalsContact O-N 3.08Å; Q362-I364 VanDerWaalsContact C-N 3.32Å; Q362-I364 PolarHBondContact O-N 3.04Å; I364-T367 WeakPolarHBondContact O-CB 3.21Å; I364-T367 PolarHBondContact O-N 3.27Å; I364-T367 VanDerWaalsContact O-N 3.15Å; I364-S368 PolarHBondContact O-N 3.14Å |
| 365 | E | 82.2 | Confident | 81.4 | Confident | 116 Ų | 116 | 104.5 Ų | 104.5 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 178.6 | -171.3 | -176.8 | 158.4 | 0 | 0 | 112.3 | R361 Q362 T367 S368 R369 | R361-E365 PolarHBondContact O-N 2.9Å; Q362-E365 PolarHBondContact O-N 2.92Å; E365-T367 VanDerWaalsContact C-N 3.26Å; E365-T367 PolarHBondContact O-N 3.35Å; E365-S368 PolarHBondContact O-N 3.02Å; E365-S368 PolarHBondContact O-OG 3.36Å; E365-S368 VanDerWaalsContact O-OG 3.1Å; E365-R369 VanDerWaalsContact O-CB 3.31Å; E365-R369 WeakPolarHBondContact O-CB 3.32Å; E365-R369 PolarHBondContact O-N 3.27Å |
| 366 | L | 79.2 | Confident | 81.4 | Confident | 107 Ų | 107 | 104.3 Ų | 104.3 | 56% | 0.56 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.6 | -30.3 | 172.5 | -68.7 | 172.2 | 0 | 0 | 0 | 111.9 | Q362 S370 | Q362-L366 WeakPolarHBondContact O-CB 3.15Å; Q362-L366 VanDerWaalsContact O-CG 3.27Å; Q362-L366 WeakPolarHBondContact O-CG 3.46Å; Q362-L366 PolarHBondContact O-N 3.1Å; L366-S370 WeakPolarHBondContact O-CB 3.43Å; L366-S370 PolarHBondContact O-N 2.9Å |
| 367 | T | 82.8 | Confident | 81.4 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72.3 | -40.4 | 175 | -59 | 0 | 0 | 0 | 0 | 111.9 | V363 I364 E365 R371 | V363-T367 VanDerWaalsContact O-CB 3.29Å; V363-T367 WeakPolarHBondContact O-CB 3.48Å; V363-T367 PolarHBondContact O-N 3.47Å; V363-T367 PolarHBondContact O-OG1 3.36Å; I364-T367 WeakPolarHBondContact O-CB 3.21Å; I364-T367 PolarHBondContact O-N 3.27Å; I364-T367 VanDerWaalsContact O-N 3.15Å; E365-T367 VanDerWaalsContact C-N 3.26Å; E365-T367 PolarHBondContact O-N 3.35Å; T367-R371 WeakPolarHBondContact O-CB 3.34Å; T367-R371 PolarHBondContact O-N 3.37Å |
| 368 | S | 82.9 | Confident | 81.2 | Confident | 51 Ų | 51 | 103.3 Ų | 103.3 | 36% | 0.357 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -47 | 174.3 | 75.6 | 0 | 0 | 0 | 0 | 110.6 | I364 E365 S370 R371 E372 | I364-S368 PolarHBondContact O-N 3.14Å; E365-S368 PolarHBondContact O-N 3.02Å; E365-S368 PolarHBondContact O-OG 3.36Å; E365-S368 VanDerWaalsContact O-OG 3.1Å; S368-S370 VanDerWaalsContact C-N 3.31Å; S368-S370 PolarHBondContact O-N 2.83Å; S368-R371 CarbonylContact O-C 3.41Å; S368-R371 WeakPolarHBondContact O-CA 3.05Å; S368-R371 WeakPolarHBondContact O-CB 3.48Å; S368-R371 PolarHBondContact O-N 3.49Å; S368-E372 WeakPolarHBondContact CB-OE1 3.48Å; S368-E372 WeakPolarHBondContact O-CG 3.31Å; S368-E372 PolarHBondContact O-N 2.94Å; S368-E372 PolarHBondContact OG-OE1 2.95Å |
| 369 | R | 82.3 | Confident | 81.2 | Confident | 169 Ų | 169 | 106.2 Ų | 106.2 | 64% | 0.638 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.5 | -33.8 | 178.6 | -159.9 | 167.8 | -176.7 | 158 | -0.1 | 113.2 | E365 S373 | E365-R369 VanDerWaalsContact O-CB 3.31Å; E365-R369 WeakPolarHBondContact O-CB 3.32Å; E365-R369 PolarHBondContact O-N 3.27Å; R369-S373 WeakPolarHBondContact O-CB 3.36Å; R369-S373 PolarHBondContact O-N 3.42Å |
| 370 | S | 77.5 | Confident | 81.1 | Confident | 74 Ų | 74 | 106.3 Ų | 106.3 | 52% | 0.517 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 169.7 | -176 | 0 | 0 | 0 | 0 | 112.3 | L366 S368 S374 | L366-S370 WeakPolarHBondContact O-CB 3.43Å; L366-S370 PolarHBondContact O-N 2.9Å; S368-S370 VanDerWaalsContact C-N 3.31Å; S368-S370 PolarHBondContact O-N 2.83Å; S370-S374 WeakPolarHBondContact O-CB 3.5Å; S370-S374 PolarHBondContact O-N 2.99Å |
| 371 | R | 82.3 | Confident | 80.9 | Confident | 182 Ų | 182 | 102.3 Ų | 102.3 | 69% | 0.687 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.7 | -39.8 | 176.2 | -171.8 | 177 | -174.1 | 168.1 | 1.7 | 111.9 | T367 S368 S374 N375 | T367-R371 WeakPolarHBondContact O-CB 3.34Å; T367-R371 PolarHBondContact O-N 3.37Å; S368-R371 CarbonylContact O-C 3.41Å; S368-R371 WeakPolarHBondContact O-CA 3.05Å; S368-R371 WeakPolarHBondContact O-CB 3.48Å; S368-R371 PolarHBondContact O-N 3.49Å; R371-S374 PolarHBondContact O-N 3.47Å; R371-N375 WeakPolarHBondContact O-CB 3.06Å; R371-N375 PolarHBondContact O-N 3.4Å; R371-N375 PolarHBondContact O-OD1 2.98Å |
| 372 | E | 79.5 | Confident | 80.7 | Confident | 100 Ų | 100 | 97.3 Ų | 97.3 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.7 | -51.5 | 172.3 | -69.5 | 149.3 | -142.5 | 0 | 0 | 110.2 | S368 S374 N375 S376 | S368-E372 WeakPolarHBondContact CB-OE1 3.48Å; S368-E372 WeakPolarHBondContact O-CG 3.31Å; S368-E372 PolarHBondContact O-N 2.94Å; S368-E372 PolarHBondContact OG-OE1 2.95Å; E372-S374 VanDerWaalsContact C-N 3.33Å; E372-S374 PolarHBondContact O-N 3.34Å; E372-N375 WeakPolarHBondContact O-CB 3.41Å; E372-N375 PolarHBondContact O-N 3.31Å; E372-N375 VanDerWaalsContact O-N 3.11Å; E372-S376 PolarHBondContact O-N 3.33Å; E372-S376 PolarHBondContact O-OG 2.72Å |
| 373 | S | 75.1 | Confident | 80.6 | Confident | 76 Ų | 76 | 97.6 Ų | 97.6 | 53% | 0.531 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.6 | -40.7 | 174.9 | -179 | 0 | 0 | 0 | 0 | 112.8 | R369 S376 L377 | R369-S373 WeakPolarHBondContact O-CB 3.36Å; R369-S373 PolarHBondContact O-N 3.42Å; S373-S376 PolarHBondContact O-N 3.28Å; S373-L377 WeakPolarHBondContact O-CB 3.41Å; S373-L377 PolarHBondContact O-N 2.92Å |
| 374 | S | 79.4 | Confident | 80.5 | Confident | 72 Ų | 72 | 95.3 Ų | 95.3 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -36 | 175.2 | -168.9 | 0 | 0 | 0 | 0 | 112.9 | S370 R371 E372 S378 | S370-S374 WeakPolarHBondContact O-CB 3.5Å; S370-S374 PolarHBondContact O-N 2.99Å; R371-S374 PolarHBondContact O-N 3.47Å; E372-S374 VanDerWaalsContact C-N 3.33Å; E372-S374 PolarHBondContact O-N 3.34Å; S374-S378 PolarHBondContact O-N 2.84Å |
| 375 | N | 80.8 | Confident | 80.3 | Confident | 92 Ų | 92 | 94.3 Ų | 94.3 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -43.8 | 174.7 | -70.9 | -8.7 | 0 | 0 | 0 | 110.8 | R371 E372 L377 S378 L379 | R371-N375 WeakPolarHBondContact O-CB 3.06Å; R371-N375 PolarHBondContact O-N 3.4Å; R371-N375 PolarHBondContact O-OD1 2.98Å; E372-N375 WeakPolarHBondContact O-CB 3.41Å; E372-N375 PolarHBondContact O-N 3.31Å; E372-N375 VanDerWaalsContact O-N 3.11Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.1Å; N375-S378 WeakPolarHBondContact O-CB 3.49Å; N375-S378 PolarHBondContact O-N 3.39Å; N375-S378 VanDerWaalsContact O-N 3.15Å; N375-L379 WeakPolarHBondContact O-CG 3.38Å; N375-L379 PolarHBondContact O-N 2.94Å |
| 376 | S | 82.2 | Confident | 80.3 | Confident | 73 Ų | 73 | 98.2 Ų | 98.2 | 51% | 0.51 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 174.5 | -61.8 | 0 | 0 | 0 | 0 | 112 | E372 S373 S378 L379 A380 | E372-S376 PolarHBondContact O-N 3.33Å; E372-S376 PolarHBondContact O-OG 2.72Å; S373-S376 PolarHBondContact O-N 3.28Å; S376-S378 VanDerWaalsContact C-N 3.34Å; S376-L379 PolarHBondContact O-N 3.08Å; S376-A380 WeakPolarHBondContact O-CB 3.16Å; S376-A380 PolarHBondContact O-N 3Å |
| 377 | L | 79.6 | Confident | 80.2 | Confident | 109 Ų | 109 | 95 Ų | 95 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -39.5 | 173.3 | -178.3 | 62.4 | 0 | 0 | 0 | 111.8 | S373 N375 A380 Q381 | S373-L377 WeakPolarHBondContact O-CB 3.41Å; S373-L377 PolarHBondContact O-N 2.92Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.1Å; L377-A380 PolarHBondContact O-N 3.32Å; L377-Q381 VanDerWaalsContact O-CB 3.26Å; L377-Q381 WeakPolarHBondContact O-CB 3.49Å; L377-Q381 PolarHBondContact O-N 2.87Å |
| 378 | S | 78.8 | Confident | 80.1 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -41.2 | 175.6 | -167.6 | 0 | 0 | 0 | 0 | 112.3 | S374 N375 S376 Q381 S382 | S374-S378 PolarHBondContact O-N 2.84Å; N375-S378 WeakPolarHBondContact O-CB 3.49Å; N375-S378 PolarHBondContact O-N 3.39Å; N375-S378 VanDerWaalsContact O-N 3.15Å; S376-S378 VanDerWaalsContact C-N 3.34Å; S378-Q381 PolarHBondContact O-N 2.78Å; S378-S382 PolarHBondContact O-N 3.07Å |
| 379 | L | 82.9 | Confident | 79.9 | Confident | 116 Ų | 116 | 93.7 Ų | 93.7 | 61% | 0.607 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -48.9 | 173.8 | -70.4 | 170.7 | 0 | 0 | 0 | 111.5 | N375 S376 Q381 S382 E383 | N375-L379 WeakPolarHBondContact O-CG 3.38Å; N375-L379 PolarHBondContact O-N 2.94Å; S376-L379 PolarHBondContact O-N 3.08Å; L379-Q381 VanDerWaalsContact C-N 3.28Å; L379-Q381 PolarHBondContact O-N 3.43Å; L379-S382 CarbonylContact O-C 3.58Å; L379-S382 WeakPolarHBondContact O-CA 3.26Å; L379-S382 WeakPolarHBondContact O-CB 3.29Å; L379-S382 PolarHBondContact O-N 3.5Å; L379-E383 PolarHBondContact O-N 2.89Å |
| 380 | A | 78.3 | Confident | 79.9 | Confident | 50 Ų | 50 | 90.6 Ų | 90.6 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -34 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S376 L377 L384 | S376-A380 WeakPolarHBondContact O-CB 3.16Å; S376-A380 PolarHBondContact O-N 3Å; L377-A380 PolarHBondContact O-N 3.32Å; A380-L384 VanDerWaalsContact O-CB 3.25Å; A380-L384 WeakPolarHBondContact O-CB 3.34Å; A380-L384 PolarHBondContact O-N 3.43Å |
| 381 | Q | 80.8 | Confident | 79.8 | Confident | 84 Ų | 84 | 89 Ų | 89 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.8 | -36.9 | 172.8 | -167.1 | 83.6 | 7.3 | 0 | 0 | 111.4 | L377 S378 L379 N385 | L377-Q381 VanDerWaalsContact O-CB 3.26Å; L377-Q381 WeakPolarHBondContact O-CB 3.49Å; L377-Q381 PolarHBondContact O-N 2.87Å; S378-Q381 PolarHBondContact O-N 2.78Å; L379-Q381 VanDerWaalsContact C-N 3.28Å; L379-Q381 PolarHBondContact O-N 3.43Å; Q381-N385 WeakPolarHBondContact O-CB 3.43Å; Q381-N385 PolarHBondContact O-N 2.82Å; Q381-N385 PolarHBondContact O-OD1 2.86Å |
| 382 | S | 82.1 | Confident | 79.5 | Confident | 76 Ų | 76 | 81.9 Ų | 81.9 | 53% | 0.531 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 174.4 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | S378 L379 N385 R386 | S378-S382 PolarHBondContact O-N 3.07Å; L379-S382 CarbonylContact O-C 3.58Å; L379-S382 WeakPolarHBondContact O-CA 3.26Å; L379-S382 WeakPolarHBondContact O-CB 3.29Å; L379-S382 PolarHBondContact O-N 3.5Å; S382-N385 PolarHBondContact O-N 2.85Å; S382-R386 WeakPolarHBondContact O-CB 3.41Å; S382-R386 PolarHBondContact O-N 3.04Å |
| 383 | E | 80.3 | Confident | 79.5 | Confident | 136 Ų | 136 | 83.4 Ų | 83.4 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.9 | -40.5 | 174.7 | -70.4 | -179.7 | 155.2 | 0 | 0 | 112 | L379 R386 A387 | L379-E383 PolarHBondContact O-N 2.89Å; E383-R386 PolarHBondContact O-N 3.22Å; E383-A387 WeakPolarHBondContact O-CB 3.28Å; E383-A387 PolarHBondContact O-N 3.31Å |
| 384 | L | 77.8 | Confident | 79.5 | Confident | 41 Ų | 41 | 81.7 Ų | 81.7 | 22% | 0.215 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 171.5 | 178.8 | 65.6 | 0 | 0 | 0 | 111.7 | A380 R386 A387 N388 R662 | A380-L384 VanDerWaalsContact O-CB 3.25Å; A380-L384 WeakPolarHBondContact O-CB 3.34Å; A380-L384 PolarHBondContact O-N 3.43Å; L384-R386 VanDerWaalsContact C-N 3.32Å; L384-R386 PolarHBondContact O-N 2.88Å; L384-A387 PolarHBondContact O-N 3.41Å; L384-N388 WeakPolarHBondContact O-CB 3.5Å; L384-N388 PolarHBondContact O-N 3.23Å; L384-N388 PolarHBondContact O-ND2 2.99Å; L384-R662 VanDerWaalsContact CD2-CZ 3.42Å |
| 385 | N | 79.9 | Confident | 79.6 | Confident | 86 Ų | 86 | 80.1 Ų | 80.1 | 46% | 0.46 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 175 | -74.3 | -7.7 | 0 | 0 | 0 | 111.1 | Q381 S382 N388 D389 | Q381-N385 WeakPolarHBondContact O-CB 3.43Å; Q381-N385 PolarHBondContact O-N 2.82Å; Q381-N385 PolarHBondContact O-OD1 2.86Å; S382-N385 PolarHBondContact O-N 2.85Å; N385-N388 PolarHBondContact O-N 3.44Å; N385-D389 WeakPolarHBondContact O-CB 3.18Å; N385-D389 PolarHBondContact O-N 3.07Å |
| 386 | R | 81 | Confident | 79.5 | Confident | 198 Ų | 198 | 78.1 Ų | 78.1 | 75% | 0.747 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66 | -35.7 | 176.2 | -173 | 175 | -177.9 | 153.3 | -0.6 | 112.8 | S382 E383 L384 Q390 | S382-R386 WeakPolarHBondContact O-CB 3.41Å; S382-R386 PolarHBondContact O-N 3.04Å; E383-R386 PolarHBondContact O-N 3.22Å; L384-R386 VanDerWaalsContact C-N 3.32Å; L384-R386 PolarHBondContact O-N 2.88Å; R386-Q390 PolarHBondContact O-N 3.02Å; R386-Q390 VanDerWaalsContact O-N 3.15Å |
| 387 | A | 78.9 | Confident | 79.2 | Confident | 38 Ų | 38 | 79.9 Ų | 79.9 | 31% | 0.314 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.9 | -42.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E383 L384 Q390 I391 | E383-A387 WeakPolarHBondContact O-CB 3.28Å; E383-A387 PolarHBondContact O-N 3.31Å; L384-A387 PolarHBondContact O-N 3.41Å; A387-Q390 PolarHBondContact O-N 2.88Å; A387-Q390 VanDerWaalsContact O-N 3.12Å; A387-I391 VanDerWaalsContact O-CG1 3.31Å; A387-I391 WeakPolarHBondContact O-CG1 3.34Å; A387-I391 PolarHBondContact O-N 3.48Å |
| 388 | N | 79.6 | Confident | 79.1 | Confident | 73 Ų | 73 | 79 Ų | 79 | 39% | 0.39 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 172.3 | -74.1 | -26.4 | 0 | 0 | 0 | 111.4 | L384 N385 Q390 I391 E392 | L384-N388 WeakPolarHBondContact O-CB 3.5Å; L384-N388 PolarHBondContact O-N 3.23Å; L384-N388 PolarHBondContact O-ND2 2.99Å; N385-N388 PolarHBondContact O-N 3.44Å; N388-Q390 PolarHBondContact O-N 2.95Å; N388-Q390 VanDerWaalsContact O-N 3.12Å; N388-I391 PolarHBondContact O-N 3.45Å; N388-E392 VanDerWaalsContact O-CB 3.3Å; N388-E392 WeakPolarHBondContact O-CB 3.31Å; N388-E392 PolarHBondContact O-N 3.08Å |
| 389 | D | 79.5 | Confident | 79.2 | Confident | 42 Ų | 42 | 78.6 Ų | 78.6 | 23% | 0.225 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.7 | -26 | 173.7 | -118.1 | 67.6 | 0 | 0 | 0 | 112.5 | N385 R393 R1603 | N385-D389 WeakPolarHBondContact O-CB 3.18Å; N385-D389 PolarHBondContact O-N 3.07Å; D389-R393 WeakPolarHBondContact O-CD 3.44Å; D389-R393 WeakPolarHBondContact O-CG 2.95Å; D389-R393 PolarHBondContact O-NE 3.02Å; D389-R393 IonicContact OD2-CZ 3.89Å; D389-R393 IonicContact OD2-NH2 3.19Å; D389-R393 PolarHBondContact OD2-NH2 3.19Å; D389-R1603 IonicContact OD1-CZ 3.17Å; D389-R1603 IonicContact OD1-NH1 2.94Å; D389-R1603 PolarHBondContact OD1-NH1 3.19Å |
| 390 | Q | 82 | Confident | 78.9 | Confident | 104 Ų | 104 | 75.7 Ų | 75.7 | 49% | 0.486 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -89.8 | -42.7 | 176.5 | 179.6 | 173.4 | -15.6 | 0 | 0 | 112.8 | R386 A387 N388 E392 R393 L394 | R386-Q390 PolarHBondContact O-N 3.02Å; R386-Q390 VanDerWaalsContact O-N 3.15Å; A387-Q390 PolarHBondContact O-N 2.88Å; A387-Q390 VanDerWaalsContact O-N 3.12Å; N388-Q390 PolarHBondContact O-N 2.95Å; N388-Q390 VanDerWaalsContact O-N 3.12Å; Q390-E392 VanDerWaalsContact C-N 3.29Å; Q390-E392 PolarHBondContact O-N 3.33Å; Q390-R393 PolarHBondContact O-N 3.01Å; Q390-L394 HydrophobicContact CG-CD1 4.35Å; Q390-L394 WeakPolarHBondContact O-CG 3.12Å; Q390-L394 PolarHBondContact O-N 3.4Å |
| 391 | I | 74.7 | Confident | 78.6 | Confident | 41 Ų | 41 | 76 Ų | 76 | 21% | 0.21 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 173.2 | -69.8 | 161.5 | 0 | 0 | 0 | 109.2 | A387 N388 R393 L394 T395 L655 | A387-I391 VanDerWaalsContact O-CG1 3.31Å; A387-I391 WeakPolarHBondContact O-CG1 3.34Å; A387-I391 PolarHBondContact O-N 3.48Å; N388-I391 PolarHBondContact O-N 3.45Å; I391-R393 PolarHBondContact O-N 3.27Å; I391-L394 PolarHBondContact O-N 2.97Å; I391-T395 PolarHBondContact O-N 3.13Å; I391-T395 PolarHBondContact O-OG1 3.33Å; I391-T395 VanDerWaalsContact O-OG1 3.12Å; I391-L655 HydrophobicContact CD1-CD1 4.22Å; I391-L655 HydrophobicContact CD1-CD2 3.82Å |
| 392 | E | 76.8 | Confident | 78.4 | Confident | 31 Ų | 31 | 76.5 Ų | 76.5 | 15% | 0.145 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -55.5 | -52.6 | 176.6 | -160.6 | -135.5 | -171.1 | 0 | 0 | 109.9 | N388 Q390 L394 T395 R396 E1605 Y1608 | N388-E392 VanDerWaalsContact O-CB 3.3Å; N388-E392 WeakPolarHBondContact O-CB 3.31Å; N388-E392 PolarHBondContact O-N 3.08Å; Q390-E392 VanDerWaalsContact C-N 3.29Å; Q390-E392 PolarHBondContact O-N 3.33Å; E392-L394 VanDerWaalsContact C-N 3.33Å; E392-L394 PolarHBondContact O-N 3.04Å; E392-T395 CarbonylContact O-C 3.49Å; E392-T395 WeakPolarHBondContact O-CA 3.5Å; E392-T395 VanDerWaalsContact O-CB 3.26Å; E392-T395 WeakPolarHBondContact O-CB 3.46Å; E392-T395 PolarHBondContact O-N 2.8Å; E392-R396 PolarHBondContact O-N 3.45Å; E392-R396 VanDerWaalsContact O-N 3.09Å; E392-E1605 VanDerWaalsContact OE1-CB 3.29Å; E392-E1605 WeakPolarHBondContact OE1-CB 3.22Å; E392-E1605 VanDerWaalsContact OE1-CD 3.31Å; E392-Y1608 VanDerWaalsContact C-OH 3.31Å; E392-Y1608 HydrophobicContact CG-CE1 4.11Å; E392-Y1608 HydrophobicContact CG-CE2 4.01Å; E392-Y1608 WeakPolarHBondContact O-CE1 3.48Å; E392-Y1608 PolarHBondContact O-OH 3.11Å; E392-Y1608 WeakPolarHBondContact OE1-CE2 3.39Å; E392-Y1608 VanDerWaalsContact OE2-CE2 3.24Å; E392-Y1608 WeakPolarHBondContact OE2-CE2 3.19Å; E392-Y1608 PolarHBondContact OE2-OH 2.85Å |
| 393 | R | 78.8 | Confident | 78.1 | Confident | 132 Ų | 132 | 74.4 Ų | 74.4 | 50% | 0.498 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.7 | -43.6 | 177.3 | -72.6 | 167.8 | -148.2 | -163.9 | 5.2 | 113.4 | D389 Q390 I391 T395 R396 E397 Y1608 | D389-R393 WeakPolarHBondContact O-CD 3.44Å; D389-R393 WeakPolarHBondContact O-CG 2.95Å; D389-R393 PolarHBondContact O-NE 3.02Å; D389-R393 IonicContact OD2-CZ 3.89Å; D389-R393 IonicContact OD2-NH2 3.19Å; D389-R393 PolarHBondContact OD2-NH2 3.19Å; Q390-R393 PolarHBondContact O-N 3.01Å; I391-R393 PolarHBondContact O-N 3.27Å; R393-T395 VanDerWaalsContact C-N 3.29Å; R393-T395 PolarHBondContact O-N 3.08Å; R393-R396 WeakPolarHBondContact O-CA 3.34Å; R393-R396 WeakPolarHBondContact O-CB 3.49Å; R393-R396 PolarHBondContact O-N 2.92Å; R393-E397 PolarHBondContact O-N 2.99Å; R393-E397 VanDerWaalsContact O-N 3.13Å; R393-Y1608 WeakPolarHBondContact CA-OH 3.42Å; R393-Y1608 PolarHBondContact N-OH 2.97Å |
| 394 | L | 76.5 | Confident | 77.7 | Confident | 40 Ų | 40 | 74 Ų | 74 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.4 | -33 | 176.8 | -68.7 | 170.7 | 0 | 0 | 0 | 111.8 | Q390 I391 E392 R396 E397 L398 I651 | Q390-L394 HydrophobicContact CG-CD1 4.35Å; Q390-L394 WeakPolarHBondContact O-CG 3.12Å; Q390-L394 PolarHBondContact O-N 3.4Å; I391-L394 PolarHBondContact O-N 2.97Å; E392-L394 VanDerWaalsContact C-N 3.33Å; E392-L394 PolarHBondContact O-N 3.04Å; L394-R396 VanDerWaalsContact C-N 3.27Å; L394-R396 PolarHBondContact O-N 3.17Å; L394-E397 PolarHBondContact O-N 2.96Å; L394-L398 WeakPolarHBondContact O-CB 3.32Å; L394-L398 PolarHBondContact O-N 3.03Å; L394-I651 HydrophobicContact CD1-CD1 3.64Å |
| 395 | T | 80.2 | Confident | 77.5 | Confident | 39 Ų | 39 | 76.8 Ų | 76.8 | 24% | 0.239 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.1 | -25.3 | 168 | -50.3 | 0 | 0 | 0 | 0 | 112.7 | I391 E392 R393 R399 | I391-T395 PolarHBondContact O-N 3.13Å; I391-T395 PolarHBondContact O-OG1 3.33Å; I391-T395 VanDerWaalsContact O-OG1 3.12Å; E392-T395 CarbonylContact O-C 3.49Å; E392-T395 WeakPolarHBondContact O-CA 3.5Å; E392-T395 VanDerWaalsContact O-CB 3.26Å; E392-T395 WeakPolarHBondContact O-CB 3.46Å; E392-T395 PolarHBondContact O-N 2.8Å; R393-T395 VanDerWaalsContact C-N 3.29Å; R393-T395 PolarHBondContact O-N 3.08Å; T395-R399 WeakPolarHBondContact O-CB 3.4Å; T395-R399 PolarHBondContact O-N 3.07Å; T395-R399 VanDerWaalsContact O-N 3.12Å |
| 396 | R | 79.1 | Confident | 77.3 | Confident | 51 Ų | 51 | 75.1 Ų | 75.1 | 19% | 0.192 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.4 | -51.1 | 168.4 | -141.1 | -176.5 | -56.1 | -100.8 | 1.2 | 109.8 | E392 R393 L394 L398 R399 E400 P1606 Y1608 | E392-R396 PolarHBondContact O-N 3.45Å; E392-R396 VanDerWaalsContact O-N 3.09Å; R393-R396 WeakPolarHBondContact O-CA 3.34Å; R393-R396 WeakPolarHBondContact O-CB 3.49Å; R393-R396 PolarHBondContact O-N 2.92Å; L394-R396 VanDerWaalsContact C-N 3.27Å; L394-R396 PolarHBondContact O-N 3.17Å; R396-L398 VanDerWaalsContact C-N 3.33Å; R396-L398 PolarHBondContact O-N 3.32Å; R396-R399 PolarHBondContact O-N 3.04Å; R396-E400 VanDerWaalsContact CD-OE1 3.29Å; R396-E400 WeakPolarHBondContact CD-OE1 3.25Å; R396-E400 HydrophobicContact CG-CG 4.39Å; R396-E400 WeakPolarHBondContact CG-OE1 3.41Å; R396-E400 VanDerWaalsContact O-CB 3.29Å; R396-E400 WeakPolarHBondContact O-CB 3.42Å; R396-E400 WeakPolarHBondContact O-CG 3.48Å; R396-E400 PolarHBondContact O-N 3.4Å; R396-P1606 PolarHBondContact NH1-O 3.33Å; R396-Y1608 VanDerWaalsContact CA-CE1 3.49Å; R396-Y1608 HydrophobicContact CB-CD1 3.52Å; R396-Y1608 HydrophobicContact CB-CE1 3.18Å; R396-Y1608 HydrophobicContact CG-CD1 3.43Å; R396-Y1608 VanDerWaalsContact CG-CD1 3.43Å; R396-Y1608 HydrophobicContact CG-CE1 3.49Å; R396-Y1608 VanDerWaalsContact CG-CE1 3.49Å; R396-Y1608 HydrophobicContact CG-CG 4.08Å; R396-Y1608 VanDerWaalsContact NH1-CD2 3.31Å; R396-Y1608 PolarHBondContact NH2-OH 3.15Å |
| 397 | E | 76.6 | Confident | 77 | Confident | 109 Ų | 109 | 67.8 Ų | 67.8 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.1 | -34.7 | -168.6 | -69.2 | 169.9 | -167.2 | 0 | 0 | 110.4 | R393 L394 S401 | R393-E397 PolarHBondContact O-N 2.99Å; R393-E397 VanDerWaalsContact O-N 3.13Å; L394-E397 PolarHBondContact O-N 2.96Å; E397-S401 WeakPolarHBondContact O-CB 3.48Å; E397-S401 PolarHBondContact O-N 3.27Å |
| 398 | L | 76.9 | Confident | 76.8 | Confident | 92 Ų | 92 | 71.5 Ų | 71.5 | 48% | 0.482 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.2 | -57 | 166.4 | -176.2 | 62.8 | 0 | 0 | 0 | 111.7 | L394 R396 E400 S401 E402 | L394-L398 WeakPolarHBondContact O-CB 3.32Å; L394-L398 PolarHBondContact O-N 3.03Å; R396-L398 VanDerWaalsContact C-N 3.33Å; R396-L398 PolarHBondContact O-N 3.32Å; L398-E400 PolarHBondContact O-N 2.81Å; L398-S401 CarbonylContact O-C 3.56Å; L398-S401 WeakPolarHBondContact O-CA 3.41Å; L398-S401 WeakPolarHBondContact O-CB 3.44Å; L398-S401 PolarHBondContact O-N 3.48Å; L398-E402 HydrophobicContact CD1-CG 4.28Å; L398-E402 HydrophobicContact CG-CG 4.5Å; L398-E402 WeakPolarHBondContact O-CG 3.49Å; L398-E402 PolarHBondContact O-N 2.82Å |
| 399 | R | 79.5 | Confident | 76.8 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 27% | 0.272 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | -178.1 | -179.5 | 178.9 | -70.6 | -175 | 1.1 | 113.2 | T395 R396 E402 Q403 Y1608 Y1609 | T395-R399 WeakPolarHBondContact O-CB 3.4Å; T395-R399 PolarHBondContact O-N 3.07Å; T395-R399 VanDerWaalsContact O-N 3.12Å; R396-R399 PolarHBondContact O-N 3.04Å; R399-E402 PolarHBondContact O-N 3.02Å; R399-Q403 VanDerWaalsContact O-CB 3.31Å; R399-Q403 WeakPolarHBondContact O-CB 3.44Å; R399-Q403 PolarHBondContact O-N 3.05Å; R399-Y1608 VanDerWaalsContact CD-O 3.31Å; R399-Y1608 WeakPolarHBondContact CD-O 3.49Å; R399-Y1608 PolarHBondContact NH1-O 2.87Å; R399-Y1609 HydrophobicContact CG-CD1 4.36Å; R399-Y1609 HydrophobicContact CG-CE1 3.82Å; R399-Y1609 VanDerWaalsContact NH1-CE2 3.29Å |
| 400 | E | 77.4 | Confident | 76.6 | Confident | 55 Ų | 55 | 73.9 Ų | 73.9 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.1 | -32.9 | 173.3 | -73.9 | -175.8 | -157.4 | 0 | 0 | 111.9 | R396 L398 R404 | R396-E400 VanDerWaalsContact CD-OE1 3.29Å; R396-E400 WeakPolarHBondContact CD-OE1 3.25Å; R396-E400 HydrophobicContact CG-CG 4.39Å; R396-E400 WeakPolarHBondContact CG-OE1 3.41Å; R396-E400 VanDerWaalsContact O-CB 3.29Å; R396-E400 WeakPolarHBondContact O-CB 3.42Å; R396-E400 WeakPolarHBondContact O-CG 3.48Å; R396-E400 PolarHBondContact O-N 3.4Å; L398-E400 PolarHBondContact O-N 2.81Å; E400-R404 WeakPolarHBondContact O-CB 3.34Å; E400-R404 WeakPolarHBondContact O-CD 3.25Å; E400-R404 WeakPolarHBondContact O-CG 3.38Å; E400-R404 PolarHBondContact O-N 3.43Å; E400-R404 IonicContact OE2-CZ 3.73Å; E400-R404 IonicContact OE2-NH1 2.8Å; E400-R404 IonicContact OE2-NH2 3.7Å; E400-R404 PolarHBondContact OE2-NH2 3.26Å |
| 401 | S | 72.6 | Confident | 76.5 | Confident | 57 Ų | 57 | 73.3 Ų | 73.3 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.3 | -34.7 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | E397 L398 R405 | E397-S401 WeakPolarHBondContact O-CB 3.48Å; E397-S401 PolarHBondContact O-N 3.27Å; L398-S401 CarbonylContact O-C 3.56Å; L398-S401 WeakPolarHBondContact O-CA 3.41Å; L398-S401 WeakPolarHBondContact O-CB 3.44Å; L398-S401 PolarHBondContact O-N 3.48Å; S401-R405 WeakPolarHBondContact O-CB 3.19Å; S401-R405 PolarHBondContact O-N 3.04Å |
| 402 | E | 76.1 | Confident | 76.6 | Confident | 93 Ų | 93 | 73 Ų | 73 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.6 | -39.2 | 173.8 | -72.1 | 177.2 | 146.2 | 0 | 0 | 111.2 | L398 R399 R405 T406 | L398-E402 HydrophobicContact CD1-CG 4.28Å; L398-E402 HydrophobicContact CG-CG 4.5Å; L398-E402 WeakPolarHBondContact O-CG 3.49Å; L398-E402 PolarHBondContact O-N 2.82Å; R399-E402 PolarHBondContact O-N 3.02Å; E402-R405 CarbonylContact O-C 3.57Å; E402-R405 WeakPolarHBondContact O-CA 3.19Å; E402-R405 WeakPolarHBondContact O-CB 3.2Å; E402-R405 PolarHBondContact O-N 3.37Å; E402-R405 VanDerWaalsContact O-N 3.13Å; E402-T406 PolarHBondContact O-N 2.75Å; E402-T406 PolarHBondContact O-OG1 3.18Å |
| 403 | Q | 75.8 | Confident | 76.8 | Confident | 33 Ų | 33 | 74.8 Ų | 74.8 | 15% | 0.154 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 172.7 | -169.7 | 59.9 | 71.8 | 0 | 0 | 112.1 | R399 R405 T406 D407 N1611 Q1612 | R399-Q403 VanDerWaalsContact O-CB 3.31Å; R399-Q403 WeakPolarHBondContact O-CB 3.44Å; R399-Q403 PolarHBondContact O-N 3.05Å; Q403-R405 VanDerWaalsContact C-N 3.26Å; Q403-R405 PolarHBondContact O-N 2.9Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.49Å; Q403-T406 PolarHBondContact NE2-OG1 3.47Å; Q403-T406 VanDerWaalsContact NE2-OG1 3.12Å; Q403-T406 PolarHBondContact O-N 3Å; Q403-T406 PolarHBondContact O-OG1 3.2Å; Q403-D407 PolarHBondContact NE2-OD1 3.41Å; Q403-D407 WeakPolarHBondContact O-CB 3.36Å; Q403-D407 PolarHBondContact O-N 2.96Å; Q403-N1611 VanDerWaalsContact CD-O 3.23Å; Q403-N1611 HydrophobicContact CG-CB 4.45Å; Q403-N1611 WeakPolarHBondContact CG-O 3.25Å; Q403-Q1612 VanDerWaalsContact NE2-CD 3.35Å |
| 404 | R | 72.5 | Confident | 76.8 | Confident | 126 Ų | 126 | 70.7 Ų | 70.7 | 48% | 0.475 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 171.4 | -73.5 | 166.3 | -165.6 | 126.8 | 13.4 | 111.7 | E400 Q408 | E400-R404 WeakPolarHBondContact O-CB 3.34Å; E400-R404 WeakPolarHBondContact O-CD 3.25Å; E400-R404 WeakPolarHBondContact O-CG 3.38Å; E400-R404 PolarHBondContact O-N 3.43Å; E400-R404 IonicContact OE2-CZ 3.73Å; E400-R404 IonicContact OE2-NH1 2.8Å; E400-R404 IonicContact OE2-NH2 3.7Å; E400-R404 PolarHBondContact OE2-NH2 3.26Å; R404-Q408 VanDerWaalsContact O-CB 3.27Å; R404-Q408 WeakPolarHBondContact O-CB 3.41Å; R404-Q408 WeakPolarHBondContact O-CG 3.5Å; R404-Q408 PolarHBondContact O-N 3.12Å |
| 405 | R | 73.5 | Confident | 76.9 | Confident | 101 Ų | 101 | 73.2 Ų | 73.2 | 38% | 0.381 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.1 | -48.3 | 176 | -178.8 | -171.6 | 68.3 | 81.3 | 6 | 111.7 | S401 E402 Q403 D407 Q408 E409 | S401-R405 WeakPolarHBondContact O-CB 3.19Å; S401-R405 PolarHBondContact O-N 3.04Å; E402-R405 CarbonylContact O-C 3.57Å; E402-R405 WeakPolarHBondContact O-CA 3.19Å; E402-R405 WeakPolarHBondContact O-CB 3.2Å; E402-R405 PolarHBondContact O-N 3.37Å; E402-R405 VanDerWaalsContact O-N 3.13Å; Q403-R405 VanDerWaalsContact C-N 3.26Å; Q403-R405 PolarHBondContact O-N 2.9Å; R405-D407 VanDerWaalsContact C-N 3.35Å; R405-Q408 PolarHBondContact O-N 2.94Å; R405-E409 WeakPolarHBondContact CD-OE1 3.39Å; R405-E409 HydrophobicContact CG-CG 4.43Å; R405-E409 WeakPolarHBondContact CG-OE1 3.24Å; R405-E409 IonicContact CZ-OE1 2.86Å; R405-E409 IonicContact CZ-OE2 3.5Å; R405-E409 IonicContact NE-OE1 2.83Å; R405-E409 IonicContact NH1-OE1 3.26Å; R405-E409 PolarHBondContact NH1-OE1 3.5Å; R405-E409 IonicContact NH1-OE2 2.69Å; R405-E409 PolarHBondContact NH1-OE2 2.97Å; R405-E409 WeakPolarHBondContact O-CB 3.4Å; R405-E409 VanDerWaalsContact O-CG 3.32Å; R405-E409 WeakPolarHBondContact O-CG 3.26Å; R405-E409 PolarHBondContact O-N 2.84Å |
| 406 | T | 74.5 | Confident | 77 | Confident | 51 Ų | 51 | 77.2 Ų | 77.2 | 31% | 0.313 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 178.4 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | E402 Q403 E409 S410 | E402-T406 PolarHBondContact O-N 2.75Å; E402-T406 PolarHBondContact O-OG1 3.18Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.49Å; Q403-T406 PolarHBondContact NE2-OG1 3.47Å; Q403-T406 VanDerWaalsContact NE2-OG1 3.12Å; Q403-T406 PolarHBondContact O-N 3Å; Q403-T406 PolarHBondContact O-OG1 3.2Å; T406-E409 PolarHBondContact O-N 3.48Å; T406-S410 WeakPolarHBondContact O-CB 3.21Å; T406-S410 PolarHBondContact O-N 3.34Å |
| 407 | D | 76.1 | Confident | 77.1 | Confident | 44 Ų | 44 | 80.7 Ų | 80.7 | 24% | 0.235 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64 | -43 | 174.2 | -65.2 | -4 | 0 | 0 | 0 | 110.5 | Q403 R405 S410 L411 Q1612 | Q403-D407 PolarHBondContact NE2-OD1 3.41Å; Q403-D407 WeakPolarHBondContact O-CB 3.36Å; Q403-D407 PolarHBondContact O-N 2.96Å; R405-D407 VanDerWaalsContact C-N 3.35Å; D407-S410 PolarHBondContact O-N 2.96Å; D407-S410 PolarHBondContact O-OG 3.48Å; D407-L411 PolarHBondContact O-N 2.85Å; D407-Q1612 PolarHBondContact OD1-NE2 3.44Å |
| 408 | Q | 73.8 | Confident | 77.2 | Confident | 116 Ų | 116 | 82.1 Ų | 82.1 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 172.9 | -79.9 | 178 | -9.1 | 0 | 0 | 113.6 | R404 R405 L411 A412 | R404-Q408 VanDerWaalsContact O-CB 3.27Å; R404-Q408 WeakPolarHBondContact O-CB 3.41Å; R404-Q408 WeakPolarHBondContact O-CG 3.5Å; R404-Q408 PolarHBondContact O-N 3.12Å; R405-Q408 PolarHBondContact O-N 2.94Å; Q408-L411 PolarHBondContact O-N 2.89Å; Q408-A412 WeakPolarHBondContact O-CB 3.31Å; Q408-A412 PolarHBondContact O-N 3.05Å |
| 409 | E | 79.4 | Confident | 77.3 | Confident | 89 Ų | 89 | 85.1 Ų | 85.1 | 42% | 0.416 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.5 | -36 | 177.3 | -76.2 | 166.3 | -172.8 | 0 | 0 | 111.6 | R405 T406 A412 T413 | R405-E409 WeakPolarHBondContact CD-OE1 3.39Å; R405-E409 HydrophobicContact CG-CG 4.43Å; R405-E409 WeakPolarHBondContact CG-OE1 3.24Å; R405-E409 IonicContact CZ-OE1 2.86Å; R405-E409 IonicContact CZ-OE2 3.5Å; R405-E409 IonicContact NE-OE1 2.83Å; R405-E409 IonicContact NH1-OE1 3.26Å; R405-E409 PolarHBondContact NH1-OE1 3.5Å; R405-E409 IonicContact NH1-OE2 2.69Å; R405-E409 PolarHBondContact NH1-OE2 2.97Å; R405-E409 WeakPolarHBondContact O-CB 3.4Å; R405-E409 VanDerWaalsContact O-CG 3.32Å; R405-E409 WeakPolarHBondContact O-CG 3.26Å; R405-E409 PolarHBondContact O-N 2.84Å; T406-E409 PolarHBondContact O-N 3.48Å; E409-A412 PolarHBondContact O-N 3.38Å; E409-T413 WeakPolarHBondContact O-CB 3.5Å; E409-T413 PolarHBondContact O-N 2.87Å; E409-T413 PolarHBondContact O-OG1 3.15Å |
| 410 | S | 76.4 | Confident | 77.4 | Confident | 76 Ų | 76 | 85.5 Ų | 85.5 | 53% | 0.531 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 171 | 81.8 | 0 | 0 | 0 | 0 | 111.7 | T406 D407 S414 | T406-S410 WeakPolarHBondContact O-CB 3.21Å; T406-S410 PolarHBondContact O-N 3.34Å; D407-S410 PolarHBondContact O-N 2.96Å; D407-S410 PolarHBondContact O-OG 3.48Å; S410-S414 VanDerWaalsContact O-CB 3.26Å; S410-S414 WeakPolarHBondContact O-CB 3.36Å; S410-S414 PolarHBondContact O-N 2.88Å |
| 411 | L | 79.9 | Confident | 77.6 | Confident | 91 Ų | 91 | 86.2 Ų | 86.2 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 175.5 | 179.2 | 59.9 | 0 | 0 | 0 | 111.6 | D407 Q408 S414 L415 | D407-L411 PolarHBondContact O-N 2.85Å; Q408-L411 PolarHBondContact O-N 2.89Å; L411-S414 PolarHBondContact O-N 3.35Å; L411-L415 HydrophobicContact CD1-CD1 4.18Å; L411-L415 HydrophobicContact CD1-CG 4.23Å; L411-L415 HydrophobicContact CG-CD1 4.06Å; L411-L415 WeakPolarHBondContact O-CB 3.48Å; L411-L415 VanDerWaalsContact O-CG 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 3.12Å |
| 412 | A | 76.8 | Confident | 78 | Confident | 36 Ų | 36 | 85.9 Ų | 85.9 | 30% | 0.298 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.4 | -50.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q408 E409 S414 L415 E416 | Q408-A412 WeakPolarHBondContact O-CB 3.31Å; Q408-A412 PolarHBondContact O-N 3.05Å; E409-A412 PolarHBondContact O-N 3.38Å; A412-S414 VanDerWaalsContact C-N 3.28Å; A412-S414 PolarHBondContact O-N 2.83Å; A412-L415 CarbonylContact O-C 3.57Å; A412-L415 PolarHBondContact O-N 2.82Å; A412-E416 WeakPolarHBondContact O-CG 3.48Å; A412-E416 PolarHBondContact O-N 3.23Å |
| 413 | T | 80.3 | Confident | 78.1 | Confident | 68 Ų | 68 | 85.2 Ų | 85.2 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.4 | -41.4 | 175.5 | -52 | 0 | 0 | 0 | 0 | 111.5 | E409 L415 E416 Q417 | E409-T413 WeakPolarHBondContact O-CB 3.5Å; E409-T413 PolarHBondContact O-N 2.87Å; E409-T413 PolarHBondContact O-OG1 3.15Å; T413-L415 VanDerWaalsContact C-N 3.34Å; T413-L415 PolarHBondContact O-N 3.31Å; T413-E416 PolarHBondContact O-N 2.86Å; T413-Q417 WeakPolarHBondContact O-CB 3.38Å; T413-Q417 VanDerWaalsContact O-CG 3.31Å; T413-Q417 WeakPolarHBondContact O-CG 3.3Å; T413-Q417 PolarHBondContact O-N 3.12Å |
| 414 | S | 79.1 | Confident | 78.5 | Confident | 45 Ų | 45 | 91.7 Ų | 91.7 | 32% | 0.315 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.6 | -29 | 177.2 | -172.4 | 0 | 0 | 0 | 0 | 113.5 | S410 L411 A412 R418 | S410-S414 VanDerWaalsContact O-CB 3.26Å; S410-S414 WeakPolarHBondContact O-CB 3.36Å; S410-S414 PolarHBondContact O-N 2.88Å; L411-S414 PolarHBondContact O-N 3.35Å; A412-S414 VanDerWaalsContact C-N 3.28Å; A412-S414 PolarHBondContact O-N 2.83Å; S414-R418 WeakPolarHBondContact O-CB 3.4Å; S414-R418 WeakPolarHBondContact O-CG 3.5Å; S414-R418 PolarHBondContact O-N 3.34Å; S414-R418 PolarHBondContact O-NE 2.98Å; S414-R418 PolarHBondContact OG-NH2 3.32Å |
| 415 | L | 78.5 | Confident | 78.9 | Confident | 93 Ų | 93 | 91.6 Ų | 91.6 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -79.6 | -40.4 | 174.4 | -72.5 | 170.3 | 0 | 0 | 0 | 111.5 | L411 A412 T413 R418 Y419 | L411-L415 HydrophobicContact CD1-CD1 4.18Å; L411-L415 HydrophobicContact CD1-CG 4.23Å; L411-L415 HydrophobicContact CG-CD1 4.06Å; L411-L415 WeakPolarHBondContact O-CB 3.48Å; L411-L415 VanDerWaalsContact O-CG 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 3.12Å; A412-L415 CarbonylContact O-C 3.57Å; A412-L415 PolarHBondContact O-N 2.82Å; T413-L415 VanDerWaalsContact C-N 3.34Å; T413-L415 PolarHBondContact O-N 3.31Å; L415-R418 PolarHBondContact O-N 2.82Å; L415-Y419 WeakPolarHBondContact O-CB 3.35Å; L415-Y419 PolarHBondContact O-N 2.8Å |
| 416 | E | 81.7 | Confident | 79.3 | Confident | 124 Ų | 124 | 92.2 Ų | 92.2 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 173 | -73.7 | 175.3 | -175.9 | 0 | 0 | 111.6 | A412 T413 R418 Y419 L420 | A412-E416 WeakPolarHBondContact O-CG 3.48Å; A412-E416 PolarHBondContact O-N 3.23Å; T413-E416 PolarHBondContact O-N 2.86Å; E416-R418 VanDerWaalsContact C-N 3.35Å; E416-R418 PolarHBondContact O-N 3.43Å; E416-Y419 PolarHBondContact O-N 3Å; E416-L420 WeakPolarHBondContact O-CB 3.35Å; E416-L420 WeakPolarHBondContact O-CG 3.37Å; E416-L420 PolarHBondContact O-N 2.93Å |
| 417 | Q | 81.4 | Confident | 79.8 | Confident | 124 Ų | 124 | 94.2 Ų | 94.2 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 173.8 | -74.1 | -179.4 | 9.8 | 0 | 0 | 112 | T413 L420 V421 | T413-Q417 WeakPolarHBondContact O-CB 3.38Å; T413-Q417 VanDerWaalsContact O-CG 3.31Å; T413-Q417 WeakPolarHBondContact O-CG 3.3Å; T413-Q417 PolarHBondContact O-N 3.12Å; Q417-L420 PolarHBondContact O-N 3.47Å; Q417-V421 WeakPolarHBondContact O-CG2 3.43Å; Q417-V421 PolarHBondContact O-N 2.94Å |
| 418 | R | 79.1 | Confident | 80.1 | Confident | 139 Ų | 139 | 96.3 Ų | 96.3 | 53% | 0.525 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 175.3 | -83.4 | 179 | -84.1 | 179.1 | -10.2 | 112.6 | S414 L415 E416 V421 A422 | S414-R418 WeakPolarHBondContact O-CB 3.4Å; S414-R418 WeakPolarHBondContact O-CG 3.5Å; S414-R418 PolarHBondContact O-N 3.34Å; S414-R418 PolarHBondContact O-NE 2.98Å; S414-R418 PolarHBondContact OG-NH2 3.32Å; L415-R418 PolarHBondContact O-N 2.82Å; E416-R418 VanDerWaalsContact C-N 3.35Å; E416-R418 PolarHBondContact O-N 3.43Å; R418-V421 PolarHBondContact O-N 3.42Å; R418-A422 VanDerWaalsContact O-CB 3.31Å; R418-A422 WeakPolarHBondContact O-CB 3.27Å; R418-A422 PolarHBondContact O-N 2.89Å |
| 419 | Y | 79.2 | Confident | 80.4 | Confident | 155 Ų | 155 | 93 Ų | 93 | 61% | 0.608 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -45.9 | 173.9 | -178.3 | -94.1 | 0 | 0 | 0 | 111.1 | L415 E416 V421 A422 Q423 | L415-Y419 WeakPolarHBondContact O-CB 3.35Å; L415-Y419 PolarHBondContact O-N 2.8Å; E416-Y419 PolarHBondContact O-N 3Å; Y419-V421 VanDerWaalsContact C-N 3.34Å; Y419-V421 PolarHBondContact O-N 2.76Å; Y419-A422 PolarHBondContact O-N 2.96Å; Y419-Q423 VanDerWaalsContact O-CB 3.25Å; Y419-Q423 WeakPolarHBondContact O-CB 3.47Å; Y419-Q423 PolarHBondContact O-N 3.45Å |
| 420 | L | 82.1 | Confident | 80.7 | Confident | 80 Ų | 80 | 92.8 Ų | 92.8 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 175.9 | -76.8 | 164.9 | 0 | 0 | 0 | 112.9 | E416 Q417 R424 | E416-L420 WeakPolarHBondContact O-CB 3.35Å; E416-L420 WeakPolarHBondContact O-CG 3.37Å; E416-L420 PolarHBondContact O-N 2.93Å; Q417-L420 PolarHBondContact O-N 3.47Å; L420-R424 WeakPolarHBondContact O-CB 3.43Å; L420-R424 WeakPolarHBondContact O-CD 3.23Å; L420-R424 WeakPolarHBondContact O-CG 3.37Å; L420-R424 PolarHBondContact O-N 3.22Å; L420-R424 VanDerWaalsContact O-N 3.08Å |
| 421 | V | 81.7 | Confident | 81 | Confident | 69 Ų | 69 | 93.8 Ų | 93.8 | 42% | 0.418 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.5 | -49.4 | 172 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | Q417 R418 Y419 Q423 R424 E425 | Q417-V421 WeakPolarHBondContact O-CG2 3.43Å; Q417-V421 PolarHBondContact O-N 2.94Å; R418-V421 PolarHBondContact O-N 3.42Å; Y419-V421 VanDerWaalsContact C-N 3.34Å; Y419-V421 PolarHBondContact O-N 2.76Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 3.3Å; V421-R424 WeakPolarHBondContact O-CB 3.38Å; V421-R424 PolarHBondContact O-N 3.42Å; V421-R424 VanDerWaalsContact O-N 3.1Å; V421-E425 HydrophobicContact CG1-CG 4.44Å; V421-E425 WeakPolarHBondContact O-CG 3.48Å; V421-E425 PolarHBondContact O-N 3.08Å |
| 422 | A | 80.5 | Confident | 81.1 | Confident | 51 Ų | 51 | 95.2 Ų | 95.2 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -35.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R418 Y419 E425 L426 | R418-A422 VanDerWaalsContact O-CB 3.31Å; R418-A422 WeakPolarHBondContact O-CB 3.27Å; R418-A422 PolarHBondContact O-N 2.89Å; Y419-A422 PolarHBondContact O-N 2.96Å; A422-E425 PolarHBondContact O-N 3.34Å; A422-L426 WeakPolarHBondContact O-CB 3.34Å; A422-L426 PolarHBondContact O-N 3.42Å |
| 423 | Q | 78.5 | Confident | 81.4 | Confident | 79 Ų | 79 | 96.1 Ų | 96.1 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.3 | -36.4 | 175.4 | -167.6 | -179.3 | 25.5 | 0 | 0 | 111.7 | Y419 V421 N427 | Y419-Q423 VanDerWaalsContact O-CB 3.25Å; Y419-Q423 WeakPolarHBondContact O-CB 3.47Å; Y419-Q423 PolarHBondContact O-N 3.45Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 3.3Å; Q423-N427 WeakPolarHBondContact O-CB 3.47Å; Q423-N427 PolarHBondContact O-N 3.06Å; Q423-N427 PolarHBondContact O-ND2 3.25Å; Q423-N427 PolarHBondContact O-OD1 3.11Å |
| 424 | R | 82.7 | Confident | 81.6 | Confident | 168 Ų | 168 | 96.2 Ų | 96.2 | 63% | 0.634 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.3 | -44.6 | 171.2 | -73.1 | 165.6 | -174.4 | 176.3 | 3.2 | 111.4 | L420 V421 N427 T428 | L420-R424 WeakPolarHBondContact O-CB 3.43Å; L420-R424 WeakPolarHBondContact O-CD 3.23Å; L420-R424 WeakPolarHBondContact O-CG 3.37Å; L420-R424 PolarHBondContact O-N 3.22Å; L420-R424 VanDerWaalsContact O-N 3.08Å; V421-R424 WeakPolarHBondContact O-CB 3.38Å; V421-R424 PolarHBondContact O-N 3.42Å; V421-R424 VanDerWaalsContact O-N 3.1Å; R424-N427 PolarHBondContact O-N 3.03Å; R424-T428 WeakPolarHBondContact O-CG2 3.36Å; R424-T428 PolarHBondContact O-N 3.35Å; R424-T428 PolarHBondContact O-OG1 2.88Å |
| 425 | E | 81.9 | Confident | 82 | Confident | 125 Ų | 125 | 100.6 Ų | 100.6 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | 176.3 | -71.9 | -179.6 | 167.5 | 0 | 0 | 111 | V421 A422 N427 T428 A429 | V421-E425 HydrophobicContact CG1-CG 4.44Å; V421-E425 WeakPolarHBondContact O-CG 3.48Å; V421-E425 PolarHBondContact O-N 3.08Å; A422-E425 PolarHBondContact O-N 3.34Å; E425-N427 PolarHBondContact O-N 3.3Å; E425-T428 WeakPolarHBondContact CA-OG1 3.16Å; E425-T428 PolarHBondContact O-N 2.79Å; E425-T428 VanDerWaalsContact O-N 3.15Å; E425-T428 PolarHBondContact O-OG1 3.01Å; E425-A429 WeakPolarHBondContact O-CB 3.44Å; E425-A429 PolarHBondContact O-N 2.59Å |
| 426 | L | 82.5 | Confident | 82.3 | Confident | 114 Ų | 114 | 101 Ų | 101 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.8 | -46.5 | 173.5 | 179.3 | 62.5 | 0 | 0 | 0 | 111.9 | A422 T428 A429 Q430 | A422-L426 WeakPolarHBondContact O-CB 3.34Å; A422-L426 PolarHBondContact O-N 3.42Å; L426-T428 PolarHBondContact O-N 3.04Å; L426-A429 PolarHBondContact O-N 3.28Å; L426-Q430 WeakPolarHBondContact O-CB 3.37Å; L426-Q430 PolarHBondContact O-N 3.22Å |
| 427 | N | 83.5 | Confident | 82.4 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 176.3 | -71.8 | -8 | 0 | 0 | 0 | 111.7 | Q423 R424 E425 A429 Q430 D431 | Q423-N427 WeakPolarHBondContact O-CB 3.47Å; Q423-N427 PolarHBondContact O-N 3.06Å; Q423-N427 PolarHBondContact O-ND2 3.25Å; Q423-N427 PolarHBondContact O-OD1 3.11Å; R424-N427 PolarHBondContact O-N 3.03Å; E425-N427 PolarHBondContact O-N 3.3Å; N427-A429 VanDerWaalsContact C-N 3.35Å; N427-Q430 PolarHBondContact O-N 3.12Å; N427-D431 WeakPolarHBondContact O-CB 3.5Å; N427-D431 PolarHBondContact O-N 3.06Å |
| 428 | T | 82.4 | Confident | 82.6 | Confident | 88 Ų | 88 | 98.6 Ų | 98.6 | 54% | 0.54 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.4 | -30.5 | 175.3 | 57.2 | 0 | 0 | 0 | 0 | 113.4 | R424 E425 L426 M432 | R424-T428 WeakPolarHBondContact O-CG2 3.36Å; R424-T428 PolarHBondContact O-N 3.35Å; R424-T428 PolarHBondContact O-OG1 2.88Å; E425-T428 WeakPolarHBondContact CA-OG1 3.16Å; E425-T428 PolarHBondContact O-N 2.79Å; E425-T428 VanDerWaalsContact O-N 3.15Å; E425-T428 PolarHBondContact O-OG1 3.01Å; L426-T428 PolarHBondContact O-N 3.04Å; T428-M432 WeakPolarHBondContact O-CB 3.41Å; T428-M432 PolarHBondContact O-N 3.3Å; T428-M432 VanDerWaalsContact O-N 3.12Å |
| 429 | A | 81.1 | Confident | 82.8 | Confident | 47 Ų | 47 | 97.6 Ų | 97.6 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.1 | -38.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | E425 L426 N427 M432 T433 | E425-A429 WeakPolarHBondContact O-CB 3.44Å; E425-A429 PolarHBondContact O-N 2.59Å; L426-A429 PolarHBondContact O-N 3.28Å; N427-A429 VanDerWaalsContact C-N 3.35Å; A429-M432 PolarHBondContact O-N 3.09Å; A429-T433 WeakPolarHBondContact O-CB 3.43Å; A429-T433 PolarHBondContact O-N 2.91Å; A429-T433 PolarHBondContact O-OG1 3.46Å |
| 430 | Q | 84.6 | Confident | 83 | Confident | 84 Ų | 84 | 96.1 Ų | 96.1 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -48.6 | 170.9 | -178.6 | 67.1 | 24.2 | 0 | 0 | 110.8 | L426 N427 M432 T433 D434 R437 | L426-Q430 WeakPolarHBondContact O-CB 3.37Å; L426-Q430 PolarHBondContact O-N 3.22Å; N427-Q430 PolarHBondContact O-N 3.12Å; Q430-M432 PolarHBondContact O-N 2.88Å; Q430-M432 VanDerWaalsContact O-N 3.14Å; Q430-T433 CarbonylContact O-C 3.54Å; Q430-T433 WeakPolarHBondContact O-CA 3.29Å; Q430-T433 PolarHBondContact O-N 2.95Å; Q430-D434 PolarHBondContact NE2-OD1 2.74Å; Q430-D434 PolarHBondContact NE2-OD2 3.26Å; Q430-D434 PolarHBondContact O-N 3.41Å; Q430-R437 VanDerWaalsContact NE2-NH1 3.11Å |
| 431 | D | 83.5 | Confident | 83.1 | Confident | 96 Ų | 96 | 94.8 Ų | 94.8 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -52.9 | -34.7 | 172.8 | -98.6 | 10.4 | 0 | 0 | 0 | 112.7 | N427 K435 | N427-D431 WeakPolarHBondContact O-CB 3.5Å; N427-D431 PolarHBondContact O-N 3.06Å; D431-K435 VanDerWaalsContact O-CD 3.24Å; D431-K435 WeakPolarHBondContact O-CD 3.32Å; D431-K435 VanDerWaalsContact O-CG 3.24Å; D431-K435 WeakPolarHBondContact O-CG 3.44Å; D431-K435 PolarHBondContact O-N 3.44Å |
| 432 | M | 82.1 | Confident | 83.3 | Confident | 121 Ų | 121 | 97.7 Ų | 97.7 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -78.5 | -38.8 | 176.5 | -169.1 | 178.8 | -60.2 | 0 | 0 | 111.5 | T428 A429 Q430 K435 L436 | T428-M432 WeakPolarHBondContact O-CB 3.41Å; T428-M432 PolarHBondContact O-N 3.3Å; T428-M432 VanDerWaalsContact O-N 3.12Å; A429-M432 PolarHBondContact O-N 3.09Å; Q430-M432 PolarHBondContact O-N 2.88Å; Q430-M432 VanDerWaalsContact O-N 3.14Å; M432-K435 PolarHBondContact O-N 2.93Å; M432-L436 HydrophobicContact CG-CD1 4.39Å; M432-L436 VanDerWaalsContact O-CG 3.32Å; M432-L436 WeakPolarHBondContact O-CG 3.4Å; M432-L436 PolarHBondContact O-N 3.14Å |
| 433 | T | 83.6 | Confident | 83.5 | Confident | 56 Ų | 56 | 100.2 Ų | 100.2 | 34% | 0.344 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 177.1 | -56.5 | 0 | 0 | 0 | 0 | 111 | A429 Q430 L436 R437 | A429-T433 WeakPolarHBondContact O-CB 3.43Å; A429-T433 PolarHBondContact O-N 2.91Å; A429-T433 PolarHBondContact O-OG1 3.46Å; Q430-T433 CarbonylContact O-C 3.54Å; Q430-T433 WeakPolarHBondContact O-CA 3.29Å; Q430-T433 PolarHBondContact O-N 2.95Å; T433-L436 CarbonylContact O-C 3.6Å; T433-L436 PolarHBondContact O-N 3.39Å; T433-R437 WeakPolarHBondContact O-CG 3.35Å; T433-R437 PolarHBondContact O-N 3.24Å |
| 434 | D | 84.6 | Confident | 83.8 | Confident | 69 Ų | 69 | 99.7 Ų | 99.7 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.9 | -32.6 | 176.2 | -72.2 | -36 | 0 | 0 | 0 | 112.4 | Q430 R437 A438 | Q430-D434 PolarHBondContact NE2-OD1 2.74Å; Q430-D434 PolarHBondContact NE2-OD2 3.26Å; Q430-D434 PolarHBondContact O-N 3.41Å; D434-R437 PolarHBondContact O-N 2.78Å; D434-R437 WeakPolarHBondContact OD1-CD 3.5Å; D434-R437 IonicContact OD1-CZ 3.77Å; D434-R437 IonicContact OD1-NE 3.31Å; D434-R437 IonicContact OD1-NH1 2.69Å; D434-R437 PolarHBondContact OD1-NH1 3.2Å; D434-A438 WeakPolarHBondContact O-CB 3.31Å; D434-A438 PolarHBondContact O-N 3.31Å |
| 435 | K | 86.5 | Confident | 83.9 | Confident | 138 Ų | 138 | 95.5 Ų | 95.5 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 166.9 | -73.7 | 162.9 | -168.7 | 144.7 | 0 | 111.8 | D431 M432 A438 E439 | D431-K435 VanDerWaalsContact O-CD 3.24Å; D431-K435 WeakPolarHBondContact O-CD 3.32Å; D431-K435 VanDerWaalsContact O-CG 3.24Å; D431-K435 WeakPolarHBondContact O-CG 3.44Å; D431-K435 PolarHBondContact O-N 3.44Å; M432-K435 PolarHBondContact O-N 2.93Å; K435-A438 PolarHBondContact O-N 3.02Å; K435-E439 PolarHBondContact O-N 3.27Å |
| 436 | L | 84.3 | Confident | 83.9 | Confident | 101 Ų | 101 | 93.5 Ų | 93.5 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 176.5 | -71.1 | 169.3 | 0 | 0 | 0 | 112.2 | M432 T433 E439 L440 | M432-L436 HydrophobicContact CG-CD1 4.39Å; M432-L436 VanDerWaalsContact O-CG 3.32Å; M432-L436 WeakPolarHBondContact O-CG 3.4Å; M432-L436 PolarHBondContact O-N 3.14Å; T433-L436 CarbonylContact O-C 3.6Å; T433-L436 PolarHBondContact O-N 3.39Å; L436-E439 PolarHBondContact O-N 3.44Å; L436-L440 WeakPolarHBondContact O-CB 3.21Å; L436-L440 PolarHBondContact O-N 2.87Å |
| 437 | R | 84.9 | Confident | 84 | Confident | 135 Ų | 135 | 93 Ų | 93 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 170.3 | -75.1 | 176.2 | -177.6 | 120.1 | 3.4 | 111.1 | Q430 T433 D434 L440 A441 | Q430-R437 VanDerWaalsContact NE2-NH1 3.11Å; T433-R437 WeakPolarHBondContact O-CG 3.35Å; T433-R437 PolarHBondContact O-N 3.24Å; D434-R437 PolarHBondContact O-N 2.78Å; D434-R437 WeakPolarHBondContact OD1-CD 3.5Å; D434-R437 IonicContact OD1-CZ 3.77Å; D434-R437 IonicContact OD1-NE 3.31Å; D434-R437 IonicContact OD1-NH1 2.69Å; D434-R437 PolarHBondContact OD1-NH1 3.2Å; R437-L440 PolarHBondContact O-N 3.39Å; R437-A441 VanDerWaalsContact O-CB 3.24Å; R437-A441 WeakPolarHBondContact O-CB 3.26Å; R437-A441 PolarHBondContact O-N 2.83Å |
| 438 | A | 85 | Confident | 84.1 | Confident | 62 Ų | 62 | 94.9 Ų | 94.9 | 51% | 0.512 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D434 K435 A441 F442 | D434-A438 WeakPolarHBondContact O-CB 3.31Å; D434-A438 PolarHBondContact O-N 3.31Å; K435-A438 PolarHBondContact O-N 3.02Å; A438-A441 PolarHBondContact O-N 3.44Å; A438-F442 WeakPolarHBondContact O-CB 3.38Å; A438-F442 PolarHBondContact O-N 2.86Å |
| 439 | E | 84.5 | Confident | 84 | Confident | 118 Ų | 118 | 96 Ų | 96 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.4 | -40.6 | 175.1 | -173.2 | 167.9 | -167.1 | 0 | 0 | 111.8 | K435 L436 F442 K443 | K435-E439 PolarHBondContact O-N 3.27Å; L436-E439 PolarHBondContact O-N 3.44Å; E439-F442 PolarHBondContact O-N 3.49Å; E439-K443 HydrophobicContact CG-CG 4.5Å; E439-K443 WeakPolarHBondContact O-CB 3.05Å; E439-K443 VanDerWaalsContact O-CG 3.23Å; E439-K443 WeakPolarHBondContact O-CG 3.15Å; E439-K443 PolarHBondContact O-N 3.24Å |
| 440 | L | 83 | Confident | 84.1 | Confident | 125 Ų | 125 | 98.6 Ų | 98.6 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.6 | -40.4 | 175.2 | -168.8 | 155.3 | 0 | 0 | 0 | 111.6 | L436 R437 K443 S444 | L436-L440 WeakPolarHBondContact O-CB 3.21Å; L436-L440 PolarHBondContact O-N 2.87Å; R437-L440 PolarHBondContact O-N 3.39Å; L440-K443 CarbonylContact O-C 3.44Å; L440-K443 PolarHBondContact O-N 3.25Å; L440-S444 WeakPolarHBondContact O-CB 3.28Å; L440-S444 PolarHBondContact O-N 3.03Å |
| 441 | A | 84.4 | Confident | 84 | Confident | 52 Ų | 52 | 98.4 Ų | 98.4 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R437 A438 S444 T445 | R437-A441 VanDerWaalsContact O-CB 3.24Å; R437-A441 WeakPolarHBondContact O-CB 3.26Å; R437-A441 PolarHBondContact O-N 2.83Å; A438-A441 PolarHBondContact O-N 3.44Å; A441-S444 PolarHBondContact O-N 3.45Å; A441-T445 WeakPolarHBondContact O-CB 3.44Å; A441-T445 PolarHBondContact O-N 3.32Å; A441-T445 PolarHBondContact O-OG1 3.01Å |
| 442 | F | 84.4 | Confident | 84 | Confident | 129 Ų | 129 | 99.1 Ų | 99.1 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 172 | 179.1 | -98.8 | 0 | 0 | 0 | 111.5 | A438 E439 T445 Q446 | A438-F442 WeakPolarHBondContact O-CB 3.38Å; A438-F442 PolarHBondContact O-N 2.86Å; E439-F442 PolarHBondContact O-N 3.49Å; F442-T445 PolarHBondContact O-N 2.89Å; F442-Q446 VanDerWaalsContact O-CB 3.31Å; F442-Q446 WeakPolarHBondContact O-CB 3.25Å; F442-Q446 PolarHBondContact O-N 3Å |
| 443 | K | 86.3 | Confident | 84.1 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 46% | 0.457 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 176.2 | -73 | -74 | 168.4 | -168.7 | 0 | 112.9 | E439 L440 Q446 L447 | E439-K443 HydrophobicContact CG-CG 4.5Å; E439-K443 WeakPolarHBondContact O-CB 3.05Å; E439-K443 VanDerWaalsContact O-CG 3.23Å; E439-K443 WeakPolarHBondContact O-CG 3.15Å; E439-K443 PolarHBondContact O-N 3.24Å; L440-K443 CarbonylContact O-C 3.44Å; L440-K443 PolarHBondContact O-N 3.25Å; K443-Q446 PolarHBondContact O-N 3.27Å; K443-L447 WeakPolarHBondContact O-CB 3.25Å; K443-L447 PolarHBondContact O-N 3.41Å |
| 444 | S | 83.4 | Confident | 84.2 | Confident | 68 Ų | 68 | 100.3 Ų | 100.3 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 173.6 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | L440 A441 Q446 L447 K448 | L440-S444 WeakPolarHBondContact O-CB 3.28Å; L440-S444 PolarHBondContact O-N 3.03Å; A441-S444 PolarHBondContact O-N 3.45Å; S444-Q446 PolarHBondContact O-N 3.48Å; S444-L447 WeakPolarHBondContact O-CB 3.48Å; S444-L447 PolarHBondContact O-N 2.92Å; S444-K448 WeakPolarHBondContact O-CB 3.32Å; S444-K448 PolarHBondContact O-N 3.09Å |
| 445 | T | 84.7 | Confident | 84.3 | Confident | 80 Ų | 80 | 103 Ų | 103 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 174.5 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | A441 F442 K448 Q449 | A441-T445 WeakPolarHBondContact O-CB 3.44Å; A441-T445 PolarHBondContact O-N 3.32Å; A441-T445 PolarHBondContact O-OG1 3.01Å; F442-T445 PolarHBondContact O-N 2.89Å; T445-K448 PolarHBondContact O-N 3.12Å; T445-Q449 WeakPolarHBondContact O-CG 3.24Å; T445-Q449 PolarHBondContact O-N 3.44Å |
| 446 | Q | 83.8 | Confident | 84.1 | Confident | 82 Ų | 82 | 99.6 Ų | 99.6 | 38% | 0.383 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 173.7 | 171.8 | 164.3 | 82.5 | 0 | 0 | 111.9 | F442 K443 S444 Q450 | F442-Q446 VanDerWaalsContact O-CB 3.31Å; F442-Q446 WeakPolarHBondContact O-CB 3.25Å; F442-Q446 PolarHBondContact O-N 3Å; K443-Q446 PolarHBondContact O-N 3.27Å; S444-Q446 PolarHBondContact O-N 3.48Å; Q446-Q450 WeakPolarHBondContact O-CG 3.29Å; Q446-Q450 PolarHBondContact O-N 3.32Å |
| 447 | L | 83.7 | Confident | 84.1 | Confident | 104 Ų | 104 | 100.3 Ų | 100.3 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -52 | 174.7 | -169.1 | 85.8 | 0 | 0 | 0 | 110.5 | K443 S444 Q449 Q450 E451 | K443-L447 WeakPolarHBondContact O-CB 3.25Å; K443-L447 PolarHBondContact O-N 3.41Å; S444-L447 WeakPolarHBondContact O-CB 3.48Å; S444-L447 PolarHBondContact O-N 2.92Å; L447-Q449 VanDerWaalsContact C-N 3.28Å; L447-Q449 PolarHBondContact O-N 2.94Å; L447-Q450 CarbonylContact O-C 3.51Å; L447-Q450 WeakPolarHBondContact O-CA 2.82Å; L447-Q450 WeakPolarHBondContact O-CB 3.29Å; L447-Q450 PolarHBondContact O-N 2.97Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.11Å; L447-E451 PolarHBondContact O-N 3.21Å |
| 448 | K | 84.9 | Confident | 84 | Confident | 133 Ų | 133 | 98 Ų | 98 | 58% | 0.578 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.5 | -35.9 | -179.4 | -162.7 | 169.1 | -173.6 | 172.5 | 0 | 112.6 | S444 T445 Q450 E452 | S444-K448 WeakPolarHBondContact O-CB 3.32Å; S444-K448 PolarHBondContact O-N 3.09Å; T445-K448 PolarHBondContact O-N 3.12Å; K448-Q450 VanDerWaalsContact C-N 3.34Å; K448-E452 VanDerWaalsContact O-CB 3.26Å; K448-E452 WeakPolarHBondContact O-CB 3.17Å; K448-E452 PolarHBondContact O-N 3.21Å |
| 449 | Q | 81.2 | Confident | 84 | Confident | 110 Ų | 110 | 100 Ų | 100 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.7 | -25.8 | 171.2 | -76.3 | -177.2 | 3.1 | 0 | 0 | 114.2 | T445 L447 K453 | T445-Q449 WeakPolarHBondContact O-CG 3.24Å; T445-Q449 PolarHBondContact O-N 3.44Å; L447-Q449 VanDerWaalsContact C-N 3.28Å; L447-Q449 PolarHBondContact O-N 2.94Å; Q449-K453 WeakPolarHBondContact O-CD 3.39Å; Q449-K453 WeakPolarHBondContact O-CE 3.1Å; Q449-K453 VanDerWaalsContact O-CG 3.28Å; Q449-K453 WeakPolarHBondContact O-CG 3.34Å; Q449-K453 PolarHBondContact O-N 3.44Å |
| 450 | Q | 82.8 | Confident | 84 | Confident | 102 Ų | 102 | 100.4 Ų | 100.4 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -82.7 | -41.1 | 172.5 | -59.5 | -71.7 | 48.7 | 0 | 0 | 110.6 | Q446 L447 K448 E452 K453 V454 | Q446-Q450 WeakPolarHBondContact O-CG 3.29Å; Q446-Q450 PolarHBondContact O-N 3.32Å; L447-Q450 CarbonylContact O-C 3.51Å; L447-Q450 WeakPolarHBondContact O-CA 2.82Å; L447-Q450 WeakPolarHBondContact O-CB 3.29Å; L447-Q450 PolarHBondContact O-N 2.97Å; K448-Q450 VanDerWaalsContact C-N 3.34Å; Q450-E452 VanDerWaalsContact C-N 3.28Å; Q450-E452 PolarHBondContact O-N 3.45Å; Q450-K453 WeakPolarHBondContact O-CB 3.2Å; Q450-K453 PolarHBondContact O-N 2.87Å; Q450-V454 WeakPolarHBondContact O-CG2 3.25Å; Q450-V454 PolarHBondContact O-N 2.89Å |
| 451 | E | 83.7 | Confident | 83.9 | Confident | 80 Ų | 80 | 98.2 Ų | 98.2 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.1 | -40.1 | 171.1 | -68.8 | 171.9 | -175.5 | 0 | 0 | 112.5 | L447 V454 R455 | L447-E451 WeakPolarHBondContact CD2-OE1 3.11Å; L447-E451 PolarHBondContact O-N 3.21Å; E451-V454 PolarHBondContact O-N 3.28Å; E451-R455 WeakPolarHBondContact O-CB 3.18Å; E451-R455 PolarHBondContact O-N 2.79Å; E451-R455 IonicContact OE2-NH2 3.75Å |
| 452 | E | 82.5 | Confident | 83.9 | Confident | 112 Ų | 112 | 98.8 Ų | 98.8 | 52% | 0.523 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.5 | -32.9 | 178.2 | -173.7 | 162.9 | -136.5 | 0 | 0 | 112 | K448 Q450 T456 | K448-E452 VanDerWaalsContact O-CB 3.26Å; K448-E452 WeakPolarHBondContact O-CB 3.17Å; K448-E452 PolarHBondContact O-N 3.21Å; Q450-E452 VanDerWaalsContact C-N 3.28Å; Q450-E452 PolarHBondContact O-N 3.45Å; E452-T456 VanDerWaalsContact O-CB 3.29Å; E452-T456 WeakPolarHBondContact O-CB 3.11Å; E452-T456 PolarHBondContact O-N 3.28Å; E452-T456 PolarHBondContact O-OG1 2.96Å |
| 453 | K | 85 | Confident | 83.8 | Confident | 111 Ų | 111 | 96.1 Ų | 96.1 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.8 | -40.9 | 167.7 | -71.4 | 170 | -154.4 | 161.6 | 0 | 111.8 | Q449 Q450 T456 L457 | Q449-K453 WeakPolarHBondContact O-CD 3.39Å; Q449-K453 WeakPolarHBondContact O-CE 3.1Å; Q449-K453 VanDerWaalsContact O-CG 3.28Å; Q449-K453 WeakPolarHBondContact O-CG 3.34Å; Q449-K453 PolarHBondContact O-N 3.44Å; Q450-K453 WeakPolarHBondContact O-CB 3.2Å; Q450-K453 PolarHBondContact O-N 2.87Å; K453-T456 CarbonylContact O-C 3.59Å; K453-T456 PolarHBondContact O-N 2.6Å; K453-L457 WeakPolarHBondContact O-CB 3.31Å; K453-L457 VanDerWaalsContact O-CG 3.3Å; K453-L457 WeakPolarHBondContact O-CG 3.35Å; K453-L457 PolarHBondContact O-N 2.91Å |
| 454 | V | 85.3 | Confident | 83.5 | Confident | 91 Ų | 91 | 95.2 Ų | 95.2 | 55% | 0.552 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -47.2 | 175 | 170 | 0 | 0 | 0 | 0 | 109.9 | Q450 E451 T456 L457 Q458 | Q450-V454 WeakPolarHBondContact O-CG2 3.25Å; Q450-V454 PolarHBondContact O-N 2.89Å; E451-V454 PolarHBondContact O-N 3.28Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.25Å; V454-L457 CarbonylContact O-C 3.26Å; V454-L457 PolarHBondContact O-N 2.79Å; V454-L457 VanDerWaalsContact O-N 3.12Å; V454-Q458 WeakPolarHBondContact O-CB 3.2Å; V454-Q458 PolarHBondContact O-N 2.84Å |
| 455 | R | 85.3 | Confident | 83.4 | Confident | 125 Ų | 125 | 96.7 Ų | 96.7 | 47% | 0.472 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 172.6 | -80.1 | -177.6 | -89.6 | 128.7 | -4.8 | 112.8 | E451 L457 Q458 I459 | E451-R455 WeakPolarHBondContact O-CB 3.18Å; E451-R455 PolarHBondContact O-N 2.79Å; E451-R455 IonicContact OE2-NH2 3.75Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-Q458 PolarHBondContact O-N 2.76Å; R455-I459 WeakPolarHBondContact O-CB 3.38Å; R455-I459 WeakPolarHBondContact O-CD1 3.2Å; R455-I459 VanDerWaalsContact O-CG1 3.27Å; R455-I459 WeakPolarHBondContact O-CG1 3.4Å; R455-I459 PolarHBondContact O-N 2.95Å |
| 456 | T | 82.5 | Confident | 83.1 | Confident | 67 Ų | 67 | 97.9 Ų | 97.9 | 41% | 0.411 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.2 | -31.7 | 174.4 | -58.2 | 0 | 0 | 0 | 0 | 112.6 | E452 K453 V454 K460 | E452-T456 VanDerWaalsContact O-CB 3.29Å; E452-T456 WeakPolarHBondContact O-CB 3.11Å; E452-T456 PolarHBondContact O-N 3.28Å; E452-T456 PolarHBondContact O-OG1 2.96Å; K453-T456 CarbonylContact O-C 3.59Å; K453-T456 PolarHBondContact O-N 2.6Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.25Å; T456-K460 WeakPolarHBondContact O-CD 3.49Å; T456-K460 VanDerWaalsContact O-CG 3.23Å; T456-K460 WeakPolarHBondContact O-CG 3.44Å; T456-K460 PolarHBondContact O-N 3.46Å |
| 457 | L | 84.3 | Confident | 82.9 | Confident | 115 Ų | 115 | 99.3 Ų | 99.3 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -77.7 | -36.4 | 173.5 | -72.7 | 169.4 | 0 | 0 | 0 | 111.4 | K453 V454 R455 K460 L461 | K453-L457 WeakPolarHBondContact O-CB 3.31Å; K453-L457 VanDerWaalsContact O-CG 3.3Å; K453-L457 WeakPolarHBondContact O-CG 3.35Å; K453-L457 PolarHBondContact O-N 2.91Å; V454-L457 CarbonylContact O-C 3.26Å; V454-L457 PolarHBondContact O-N 2.79Å; V454-L457 VanDerWaalsContact O-N 3.12Å; R455-L457 VanDerWaalsContact C-N 3.33Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 WeakPolarHBondContact O-CB 3.23Å; L457-K460 PolarHBondContact O-N 3.27Å; L457-L461 PolarHBondContact O-N 2.81Å |
| 458 | Q | 83.8 | Confident | 82.4 | Confident | 88 Ų | 88 | 99.4 Ų | 99.4 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -53.6 | 174.6 | -167.1 | 62 | 51.4 | 0 | 0 | 110.1 | V454 R455 K460 L461 D462 | V454-Q458 WeakPolarHBondContact O-CB 3.2Å; V454-Q458 PolarHBondContact O-N 2.84Å; R455-Q458 PolarHBondContact O-N 2.76Å; Q458-K460 PolarHBondContact O-N 3.44Å; Q458-L461 CarbonylContact O-C 3.24Å; Q458-L461 WeakPolarHBondContact O-CA 3.41Å; Q458-L461 WeakPolarHBondContact O-CB 3.35Å; Q458-L461 PolarHBondContact O-N 2.5Å; Q458-D462 PolarHBondContact NE2-OD1 3.38Å; Q458-D462 WeakPolarHBondContact O-CB 3.17Å; Q458-D462 PolarHBondContact O-N 2.92Å |
| 459 | I | 84.9 | Confident | 81.7 | Confident | 104 Ų | 104 | 97.4 Ų | 97.4 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.7 | -29.9 | 175.9 | -67.1 | 163.5 | 0 | 0 | 0 | 112.1 | R455 T463 | R455-I459 WeakPolarHBondContact O-CB 3.38Å; R455-I459 WeakPolarHBondContact O-CD1 3.2Å; R455-I459 VanDerWaalsContact O-CG1 3.27Å; R455-I459 WeakPolarHBondContact O-CG1 3.4Å; R455-I459 PolarHBondContact O-N 2.95Å; I459-T463 WeakPolarHBondContact O-CB 3.23Å; I459-T463 WeakPolarHBondContact O-CG2 3.26Å; I459-T463 PolarHBondContact O-N 3.32Å; I459-T463 PolarHBondContact O-OG1 3.07Å |
| 460 | K | 84.7 | Confident | 81.2 | Confident | 126 Ų | 126 | 98.2 Ų | 98.2 | 55% | 0.548 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -77.8 | -31.8 | 172.9 | -76.3 | 173.6 | -177 | 177.9 | 0 | 113.8 | T456 L457 Q458 T463 V464 | T456-K460 WeakPolarHBondContact O-CD 3.49Å; T456-K460 VanDerWaalsContact O-CG 3.23Å; T456-K460 WeakPolarHBondContact O-CG 3.44Å; T456-K460 PolarHBondContact O-N 3.46Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 WeakPolarHBondContact O-CB 3.23Å; L457-K460 PolarHBondContact O-N 3.27Å; Q458-K460 PolarHBondContact O-N 3.44Å; K460-T463 WeakPolarHBondContact CA-OG1 3.49Å; K460-T463 PolarHBondContact O-OG1 3.16Å; K460-V464 WeakPolarHBondContact O-CB 3.26Å; K460-V464 WeakPolarHBondContact O-CG2 3.38Å; K460-V464 PolarHBondContact O-N 3.02Å |
| 461 | L | 81.4 | Confident | 80.4 | Confident | 79 Ų | 79 | 96.6 Ų | 96.6 | 41% | 0.414 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.8 | -53.2 | 169.9 | -177.5 | 60.6 | 0 | 0 | 0 | 108.9 | L457 Q458 T463 V464 E465 | L457-L461 PolarHBondContact O-N 2.81Å; Q458-L461 CarbonylContact O-C 3.24Å; Q458-L461 WeakPolarHBondContact O-CA 3.41Å; Q458-L461 WeakPolarHBondContact O-CB 3.35Å; Q458-L461 PolarHBondContact O-N 2.5Å; L461-T463 VanDerWaalsContact C-N 3.33Å; L461-T463 PolarHBondContact O-N 3.14Å; L461-V464 CarbonylContact O-C 3.56Å; L461-V464 WeakPolarHBondContact O-CA 3.27Å; L461-V464 PolarHBondContact O-N 3.13Å; L461-E465 HydrophobicContact CD1-CG 4.15Å; L461-E465 HydrophobicContact CG-CG 4.33Å; L461-E465 WeakPolarHBondContact O-CB 3.49Å; L461-E465 WeakPolarHBondContact O-CG 3.49Å; L461-E465 PolarHBondContact O-N 3.44Å |
| 462 | D | 83.3 | Confident | 79.2 | Confident | 64 Ų | 64 | 99.8 Ų | 99.8 | 34% | 0.342 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -52.6 | -45.5 | 176.8 | -51.4 | -21.8 | 0 | 0 | 0 | 111.8 | Q458 E465 D466 | Q458-D462 PolarHBondContact NE2-OD1 3.38Å; Q458-D462 WeakPolarHBondContact O-CB 3.17Å; Q458-D462 PolarHBondContact O-N 2.92Å; D462-E465 CarbonylContact O-C 3.6Å; D462-E465 PolarHBondContact O-N 3.44Å; D462-D466 WeakPolarHBondContact O-CB 3.46Å; D462-D466 PolarHBondContact O-N 2.9Å |
| 463 | T | 82.5 | Confident | 78.1 | Confident | 72 Ų | 72 | 97.4 Ų | 97.4 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.1 | -32.1 | 176.9 | 43.8 | 0 | 0 | 0 | 0 | 113.7 | I459 K460 L461 D467 | I459-T463 WeakPolarHBondContact O-CB 3.23Å; I459-T463 WeakPolarHBondContact O-CG2 3.26Å; I459-T463 PolarHBondContact O-N 3.32Å; I459-T463 PolarHBondContact O-OG1 3.07Å; K460-T463 WeakPolarHBondContact CA-OG1 3.49Å; K460-T463 PolarHBondContact O-OG1 3.16Å; L461-T463 VanDerWaalsContact C-N 3.33Å; L461-T463 PolarHBondContact O-N 3.14Å; T463-D467 WeakPolarHBondContact O-CB 3.26Å; T463-D467 PolarHBondContact O-N 3.03Å |
| 464 | V | 80.4 | Confident | 76.7 | Confident | 86 Ų | 86 | 98 Ų | 98 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.8 | -34.9 | 171.4 | 167.1 | 0 | 0 | 0 | 0 | 111 | K460 L461 L468 | K460-V464 WeakPolarHBondContact O-CB 3.26Å; K460-V464 WeakPolarHBondContact O-CG2 3.38Å; K460-V464 PolarHBondContact O-N 3.02Å; L461-V464 CarbonylContact O-C 3.56Å; L461-V464 WeakPolarHBondContact O-CA 3.27Å; L461-V464 PolarHBondContact O-N 3.13Å; V464-L468 WeakPolarHBondContact O-CB 3.32Å; V464-L468 PolarHBondContact O-N 2.83Å |
| 465 | E | 80.3 | Confident | 75.1 | Confident | 99 Ų | 99 | 96.7 Ų | 96.7 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.3 | -36.9 | 174 | -73.7 | -170.3 | -175.5 | 0 | 0 | 111.2 | L461 D462 L468 L469 | L461-E465 HydrophobicContact CD1-CG 4.15Å; L461-E465 HydrophobicContact CG-CG 4.33Å; L461-E465 WeakPolarHBondContact O-CB 3.49Å; L461-E465 WeakPolarHBondContact O-CG 3.49Å; L461-E465 PolarHBondContact O-N 3.44Å; D462-E465 CarbonylContact O-C 3.6Å; D462-E465 PolarHBondContact O-N 3.44Å; E465-L468 CarbonylContact O-C 3.53Å; E465-L468 PolarHBondContact O-N 3.19Å; E465-L469 WeakPolarHBondContact O-CA 3.47Å; E465-L469 WeakPolarHBondContact O-CB 3.27Å; E465-L469 WeakPolarHBondContact O-CG 3.46Å; E465-L469 PolarHBondContact O-N 3.07Å |
| 466 | D | 79.8 | Confident | 73.4 | Confident | 105 Ų | 105 | 94 Ų | 94 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 171.1 | -95.6 | -21.3 | 0 | 0 | 0 | 111.8 | D462 L468 L469 Q470 | D462-D466 WeakPolarHBondContact O-CB 3.46Å; D462-D466 PolarHBondContact O-N 2.9Å; D466-L468 VanDerWaalsContact C-N 3.27Å; D466-L468 PolarHBondContact O-N 2.69Å; D466-L469 CarbonylContact O-C 3.57Å; D466-L469 PolarHBondContact O-N 2.79Å; D466-Q470 WeakPolarHBondContact O-CA 3.38Å; D466-Q470 WeakPolarHBondContact O-CB 3.4Å; D466-Q470 PolarHBondContact O-N 2.85Å |
| 467 | D | 79.4 | Confident | 71.9 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 60% | 0.599 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -39.7 | 171.2 | -87.5 | -16.9 | 0 | 0 | 0 | 111 | T463 S471 | T463-D467 WeakPolarHBondContact O-CB 3.26Å; T463-D467 PolarHBondContact O-N 3.03Å; D467-S471 WeakPolarHBondContact O-CB 3.48Å; D467-S471 PolarHBondContact O-N 3.4Å; D467-S471 PolarHBondContact O-OG 3.44Å |
| 468 | L | 72.2 | Confident | 70 | Confident | 106 Ų | 106 | 99.2 Ų | 99.2 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -76.7 | -30.3 | 179.6 | -159.5 | 143.3 | 0 | 0 | 0 | 112.2 | V464 E465 D466 S471 R472 | V464-L468 WeakPolarHBondContact O-CB 3.32Å; V464-L468 PolarHBondContact O-N 2.83Å; E465-L468 CarbonylContact O-C 3.53Å; E465-L468 PolarHBondContact O-N 3.19Å; D466-L468 VanDerWaalsContact C-N 3.27Å; D466-L468 PolarHBondContact O-N 2.69Å; L468-S471 WeakPolarHBondContact CA-OG 3.36Å; L468-S471 PolarHBondContact O-OG 3.18Å; L468-R472 WeakPolarHBondContact O-CA 3.45Å; L468-R472 WeakPolarHBondContact O-CB 3.4Å; L468-R472 PolarHBondContact O-N 3.23Å |
| 469 | L | 69.9 | Low | 68.4 | Low | 91 Ų | 91 | 99.6 Ų | 99.6 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79.8 | -29.3 | 172.7 | -76.3 | 169.7 | 0 | 0 | 0 | 111.8 | E465 D466 R472 S473 | E465-L469 WeakPolarHBondContact O-CA 3.47Å; E465-L469 WeakPolarHBondContact O-CB 3.27Å; E465-L469 WeakPolarHBondContact O-CG 3.46Å; E465-L469 PolarHBondContact O-N 3.07Å; D466-L469 CarbonylContact O-C 3.57Å; D466-L469 PolarHBondContact O-N 2.79Å; L469-R472 CarbonylContact O-C 3.56Å; L469-S473 WeakPolarHBondContact O-CA 3.14Å; L469-S473 WeakPolarHBondContact O-CB 3.34Å; L469-S473 PolarHBondContact O-N 3.32Å; L469-S473 PolarHBondContact O-OG 3.18Å; L469-S473 VanDerWaalsContact O-OG 3.04Å |
| 470 | Q | 70.7 | Confident | 66.8 | Low | 128 Ų | 128 | 98 Ų | 98 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -74 | -44 | 173.6 | -168.5 | 173.8 | 99.2 | 0 | 0 | 110.1 | D466 S473 L474 | D466-Q470 WeakPolarHBondContact O-CA 3.38Å; D466-Q470 WeakPolarHBondContact O-CB 3.4Å; D466-Q470 PolarHBondContact O-N 2.85Å; Q470-S473 WeakPolarHBondContact CA-OG 3.43Å; Q470-S473 PolarHBondContact O-N 2.89Å; Q470-S473 PolarHBondContact O-OG 3.49Å; Q470-L474 WeakPolarHBondContact O-CG 3.41Å; Q470-L474 PolarHBondContact O-N 2.99Å |
| 471 | S | 67.6 | Low | 65.1 | Low | 67 Ų | 67 | 99.7 Ų | 99.7 | 47% | 0.469 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.7 | -37.4 | 170.3 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | D467 L468 S475 | D467-S471 WeakPolarHBondContact O-CB 3.48Å; D467-S471 PolarHBondContact O-N 3.4Å; D467-S471 PolarHBondContact O-OG 3.44Å; L468-S471 WeakPolarHBondContact CA-OG 3.36Å; L468-S471 PolarHBondContact O-OG 3.18Å; S471-S475 WeakPolarHBondContact O-CB 3.31Å; S471-S475 PolarHBondContact O-N 3.13Å |
| 472 | R | 58.8 | Low | 63.4 | Low | 148 Ų | 148 | 100.4 Ų | 100.4 | 56% | 0.558 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.3 | -26.7 | 171.5 | -170 | 177.4 | -168.9 | -172.7 | 3.6 | 112.8 | L468 L469 N476 | L468-R472 WeakPolarHBondContact O-CA 3.45Å; L468-R472 WeakPolarHBondContact O-CB 3.4Å; L468-R472 PolarHBondContact O-N 3.23Å; L469-R472 CarbonylContact O-C 3.56Å; R472-N476 WeakPolarHBondContact O-CA 3.41Å; R472-N476 WeakPolarHBondContact O-CB 3.11Å; R472-N476 PolarHBondContact O-N 3.3Å |
| 473 | S | 58.5 | Low | 61.6 | Low | 62 Ų | 62 | 103.9 Ų | 103.9 | 43% | 0.434 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -80.6 | -34.2 | 173.9 | 68.4 | 0 | 0 | 0 | 0 | 111.9 | L469 Q470 S475 N476 H477 | L469-S473 WeakPolarHBondContact O-CA 3.14Å; L469-S473 WeakPolarHBondContact O-CB 3.34Å; L469-S473 PolarHBondContact O-N 3.32Å; L469-S473 PolarHBondContact O-OG 3.18Å; L469-S473 VanDerWaalsContact O-OG 3.04Å; Q470-S473 WeakPolarHBondContact CA-OG 3.43Å; Q470-S473 PolarHBondContact O-N 2.89Å; Q470-S473 PolarHBondContact O-OG 3.49Å; S473-S475 VanDerWaalsContact C-N 3.28Å; S473-S475 PolarHBondContact O-N 3.49Å; S473-N476 PolarHBondContact O-N 2.85Å; S473-H477 WeakPolarHBondContact O-CA 3.36Å; S473-H477 WeakPolarHBondContact O-CB 3.39Å; S473-H477 PolarHBondContact O-N 2.89Å |
| 474 | L | 55.1 | Low | 59.9 | Low | 123 Ų | 123 | 109.1 Ų | 109.1 | 64% | 0.644 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.2 | -41 | 166.8 | -74.7 | 164.9 | 0 | 0 | 0 | 111.2 | Q470 | Q470-L474 WeakPolarHBondContact O-CG 3.41Å; Q470-L474 PolarHBondContact O-N 2.99Å |
| 475 | S | 51.4 | Low | 58 | Low | 64 Ų | 64 | 110.9 Ų | 110.9 | 45% | 0.448 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70 | -49.7 | 174 | -169.4 | 0 | 0 | 0 | 0 | 112.9 | S471 S473 H477 F478 L479 | S471-S475 WeakPolarHBondContact O-CB 3.31Å; S471-S475 PolarHBondContact O-N 3.13Å; S473-S475 VanDerWaalsContact C-N 3.28Å; S473-S475 PolarHBondContact O-N 3.49Å; S475-H477 PolarHBondContact O-N 3.12Å; S475-F478 VanDerWaalsContact O-CB 3.24Å; S475-F478 WeakPolarHBondContact O-CB 3.16Å; S475-F478 PolarHBondContact O-N 3.21Å; S475-F478 VanDerWaalsContact O-N 3.13Å; S475-L479 PolarHBondContact O-N 3.43Å; S475-L479 VanDerWaalsContact O-N 3.14Å |
| 476 | N | 50.7 | Low | 56.2 | Low | 67 Ų | 67 | 114 Ų | 114 | 36% | 0.358 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -71.5 | -28.3 | -178.5 | -78.2 | -11.2 | 0 | 0 | 0 | 113 | R472 S473 F478 L479 T480 | R472-N476 WeakPolarHBondContact O-CA 3.41Å; R472-N476 WeakPolarHBondContact O-CB 3.11Å; R472-N476 PolarHBondContact O-N 3.3Å; S473-N476 PolarHBondContact O-N 2.85Å; N476-F478 PolarHBondContact O-N 3.12Å; N476-L479 PolarHBondContact O-N 3.47Å; N476-T480 VanDerWaalsContact O-CB 3.28Å; N476-T480 WeakPolarHBondContact O-CB 3.42Å; N476-T480 VanDerWaalsContact O-CG2 3.3Å; N476-T480 WeakPolarHBondContact O-CG2 3.29Å; N476-T480 PolarHBondContact O-N 2.6Å; N476-T480 PolarHBondContact O-OG1 3.36Å |
| 477 | H | 50.5 | Low | 54.2 | Low | 116 Ų | 116 | 119.1 Ų | 119.1 | 54% | 0.537 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68 | -28.7 | 172 | -179.4 | -97.8 | 0 | 0 | 0 | 110.8 | S473 S475 | S473-H477 WeakPolarHBondContact O-CA 3.36Å; S473-H477 WeakPolarHBondContact O-CB 3.39Å; S473-H477 PolarHBondContact O-N 2.89Å; S475-H477 PolarHBondContact O-N 3.12Å |
| 478 | F | 45 | Very low | 52.2 | Low | 176 Ų | 176 | 120.4 Ų | 120.4 | 77% | 0.772 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.6 | -38 | 169.6 | -128.1 | -84.9 | 0 | 0 | 0 | 112.6 | S475 N476 | S475-F478 VanDerWaalsContact O-CB 3.24Å; S475-F478 WeakPolarHBondContact O-CB 3.16Å; S475-F478 PolarHBondContact O-N 3.21Å; S475-F478 VanDerWaalsContact O-N 3.13Å; N476-F478 PolarHBondContact O-N 3.12Å |
| 479 | L | 49.4 | Very low | 50.4 | Low | 97 Ų | 97 | 122 Ų | 122 | 51% | 0.508 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -85.7 | -41.8 | -176.8 | -66.8 | 171.4 | 0 | 0 | 0 | 114.2 | S475 N476 S482 L483 | S475-L479 PolarHBondContact O-N 3.43Å; S475-L479 VanDerWaalsContact O-N 3.14Å; N476-L479 PolarHBondContact O-N 3.47Å; L479-S482 WeakPolarHBondContact O-CA 3.33Å; L479-S482 WeakPolarHBondContact O-CB 3.48Å; L479-S482 PolarHBondContact O-N 2.95Å; L479-L483 PolarHBondContact O-N 3.36Å |
| 480 | T | 51 | Low | 48.9 | Very low | 70 Ų | 70 | 125.7 Ų | 125.7 | 43% | 0.429 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -71.3 | -33.2 | -176.2 | 55 | 0 | 0 | 0 | 0 | 112.6 | N476 S482 L483 K484 | N476-T480 VanDerWaalsContact O-CB 3.28Å; N476-T480 WeakPolarHBondContact O-CB 3.42Å; N476-T480 VanDerWaalsContact O-CG2 3.3Å; N476-T480 WeakPolarHBondContact O-CG2 3.29Å; N476-T480 PolarHBondContact O-N 2.6Å; N476-T480 PolarHBondContact O-OG1 3.36Å; T480-S482 PolarHBondContact O-N 3.39Å; T480-S482 VanDerWaalsContact O-N 3.13Å; T480-L483 PolarHBondContact O-N 3.45Å; T480-K484 PolarHBondContact O-N 2.76Å |
| 481 | K | 48.3 | Very low | 47.3 | Very low | 162 Ų | 162 | 128.3 Ų | 128.3 | 70% | 0.704 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -21.3 | 167.6 | -105.1 | -175.2 | 174.3 | 179 | 0 | 113.2 | ||
| 482 | S | 47.2 | Very low | 46.2 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -0.8 | 176.6 | -169.6 | 0 | 0 | 0 | 0 | 114.3 | L479 T480 | L479-S482 WeakPolarHBondContact O-CA 3.33Å; L479-S482 WeakPolarHBondContact O-CB 3.48Å; L479-S482 PolarHBondContact O-N 2.95Å; T480-S482 PolarHBondContact O-N 3.39Å; T480-S482 VanDerWaalsContact O-N 3.13Å |
| 483 | L | 45.7 | Very low | 45.2 | Very low | 136 Ų | 136 | 131 Ų | 131 | 71% | 0.712 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | -27.4 | -173.4 | -77.6 | 170.8 | 0 | 0 | 0 | 115.2 | L479 T480 T485 | L479-L483 PolarHBondContact O-N 3.36Å; T480-L483 PolarHBondContact O-N 3.45Å; L483-T485 PolarHBondContact O-N 2.92Å |
| 484 | K | 45.2 | Very low | 44.6 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 80% | 0.796 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 13.6 | -174.7 | -134.6 | 175 | -174.5 | -178.5 | 0 | 115 | T480 | T480-K484 PolarHBondContact O-N 2.76Š|
| 485 | T | 41.5 | Very low | 43.9 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 11.4 | -174.6 | -17.4 | 0 | 0 | 0 | 0 | 114.1 | L483 | L483-T485 PolarHBondContact O-N 2.92Š|
| 486 | K | 42.4 | Very low | 43.5 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -148.5 | 118.9 | -178.4 | -108.6 | -175.3 | 179.5 | -173.6 | 0 | 114.5 | ||
| 487 | Y | 36.7 | Very low | 43.2 | Very low | 212 Ų | 212 | 143.7 Ų | 143.7 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | trans | 66.8 | 121.8 | 172.8 | -61.5 | -81.9 | 0 | 0 | 0 | 115.5 | ||||
| 488 | I | 38.1 | Very low | 42.8 | Very low | 138 Ų | 138 | 147 Ų | 147 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | -143.4 | 143.2 | -178.5 | -77.5 | 174.3 | 0 | 0 | 0 | 104.1 | ||||
| 489 | N | 34.6 | Very low | 42.7 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | 66 | 124.8 | -175.3 | -55.9 | 2.3 | 0 | 0 | 0 | 115.2 | ||||
| 490 | D | 38.5 | Very low | 42.3 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | -152.3 | 162.2 | 101.7 | -87.3 | -25.7 | 0 | 0 | 0 | 108 | |||||
| 491 | E | 36.9 | Very low | 41.8 | Very low | 182 Ų | 182 | 152.3 Ų | 152.3 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -140.4 | 126.6 | -153.5 | 178.9 | 173.5 | -122.6 | 0 | 0 | 108.7 | ||||
| 492 | V | 44.5 | Very low | 41 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -150.4 | 110.5 | -177.9 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | I494 | V492-I494 HydrophobicContact CG1-CG1 4.15Š| ||
| 493 | D | 38.3 | Very low | 40.3 | Very low | 144 Ų | 144 | 157.1 Ų | 157.1 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 150.3 | 161 | -59.2 | -63.9 | 0 | 0 | 0 | 110.4 | ||||
| 494 | I | 45.9 | Very low | 39.9 | Very low | 134 Ų | 134 | 158 Ų | 158 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | trans | -137.5 | 102.3 | 164.8 | -57.5 | -179.4 | 0 | 0 | 0 | 107.8 | V492 | V492-I494 HydrophobicContact CG1-CG1 4.15Š| ||
| 495 | D | 39.8 | Very low | 39.5 | Very low | 148 Ų | 148 | 157.6 Ų | 157.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -75.7 | 141.5 | 154.6 | -53.8 | -66.2 | 0 | 0 | 0 | 108.4 | ||||
| 496 | D | 43.6 | Very low | 38.9 | Very low | 155 Ų | 155 | 158.4 Ų | 158.4 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -140.5 | 124.7 | 161.9 | -92.4 | -47.5 | 0 | 0 | 0 | 106.8 | ||||
| 497 | D | 43.4 | Very low | 38.4 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -78.4 | 164.3 | -177.3 | -50.4 | -85 | 0 | 0 | 0 | 112.9 | ||||
| 498 | E | 42.3 | Very low | 38.1 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 175.7 | 93.2 | 131.5 | -97.2 | 176.1 | -163.7 | 0 | 0 | 111.5 | ||||
| 499 | D | 43.3 | Very low | 37.8 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | 52.7 | 141.9 | 124.4 | -60.8 | -25.5 | 0 | 0 | 0 | 124.7 | |||||
| 500 | E | 40.3 | Very low | 37.8 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 63.5 | 128.4 | 150.3 | -65.7 | 169.6 | -176.9 | 0 | 0 | 118.4 | ||||
| 501 | D | 40.6 | Very low | 37.4 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | cis | -146.1 | 170.3 | 15.2 | -111.3 | -31.1 | 0 | 0 | 0 | 112.2 | D503 | D501-D503 PolarHBondContact O-N 3.46Š| ||
| 502 | E | 32.9 | Very low | 37 | Very low | 195 Ų | 195 | 147 Ų | 147 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -66.2 | 111.3 | -171.2 | -61.3 | -176.1 | 162.6 | 0 | 0 | 116 | ||||
| 503 | D | 31.6 | Very low | 36.3 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -138.9 | 163.8 | 159.3 | -102.4 | -43.7 | 0 | 0 | 0 | 110.3 | D501 | D501-D503 PolarHBondContact O-N 3.46Š| ||
| 504 | D | 37.5 | Very low | 35.9 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 54.7 | 91.1 | -177.8 | -80.7 | -28.5 | 0 | 0 | 0 | 117.7 | N506 | D504-N506 PolarHBondContact O-N 2.89Š| ||
| 505 | I | 37.5 | Very low | 35.1 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -74.9 | 75.4 | 169.4 | -47.8 | 177.8 | 0 | 0 | 0 | 111.1 | ||||
| 506 | N | 28.6 | Very low | 34.5 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | 31.5 | 141.2 | 119 | -161.9 | 13.6 | 0 | 0 | 0 | 120 | D504 | D504-N506 PolarHBondContact O-N 2.89Š| |||
| 507 | A | 30.8 | Very low | 33.6 | Very low | 82 Ų | 82 | 145.6 Ų | 145.6 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | 69.8 | 142.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 508 | G | 32.2 | Very low | 32.9 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | cis | 103.5 | 101.7 | 10.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 509 | T | 31.8 | Very low | 32.3 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -159.3 | 92.5 | 170.3 | -19.9 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 510 | E | 34.2 | Very low | 31.7 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | 71.4 | 100.1 | 102.7 | -70.9 | 170.4 | 151.7 | 0 | 0 | 108.9 | |||||
| 511 | Y | 29.7 | Very low | 31.4 | Very low | 215 Ų | 215 | 139.2 Ų | 139.2 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | cis | 44.9 | 101.5 | 49 | -90.2 | -74.1 | 0 | 0 | 0 | 111 | ||||
| 512 | N | 28.8 | Very low | 30.8 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 66% | 0.658 | 77% | 0.768 | S | S | * | * | trans | 69.6 | 160.5 | 171 | -36.7 | -15.2 | 0 | 0 | 0 | 113.7 | ||||
| 513 | E | 30 | Very low | 31.1 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | cis | -138.3 | 129.9 | 2.7 | -115.3 | 120.3 | -123.6 | 0 | 0 | 109.8 | N515 | E513-N515 PolarHBondContact O-ND2 3.27Š| ||
| 514 | E | 28.7 | Very low | 31 | Very low | 198 Ų | 198 | 135 Ų | 135 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | -110.7 | 95.1 | 136.2 | -72.5 | -160.7 | 152.7 | 0 | 0 | 106.4 | ||||
| 515 | N | 28.8 | Very low | 30.7 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | 67.7 | 108.2 | 82.3 | -86.5 | -64.1 | 0 | 0 | 0 | 115.2 | E513 | E513-N515 PolarHBondContact O-ND2 3.27Š| |||
| 516 | A | 27.2 | Very low | 30.3 | Very low | 86 Ų | 86 | 133.5 Ų | 133.5 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | 52.9 | 88.1 | 128.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 517 | C | 26 | Very low | 30.7 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | -132.2 | 124.7 | 112.8 | -79.9 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 518 | S | 28.8 | Very low | 30.8 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | 71.1 | 140.6 | 73 | 102.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 519 | D | 28.5 | Very low | 31 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | cis | -153.3 | 166.8 | 19.4 | -104.7 | -50.5 | 0 | 0 | 0 | 113.5 | ||||
| 520 | E | 32.2 | Very low | 31.2 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | 55.8 | 151.8 | 148.2 | -67.8 | -177.7 | 153.6 | 0 | 0 | 123.4 | ||||
| 521 | S | 33.4 | Very low | 31.5 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | trans | 70.5 | 113.1 | 161.6 | -55.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 522 | N | 27.9 | Very low | 31.9 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | cis | 65.2 | 148.4 | 22.1 | -142.4 | 34.2 | 0 | 0 | 0 | 113.8 | ||||
| 523 | P | 39.9 | Very low | 32.3 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 59% | 0.591 | 74% | 0.741 | S | S | * | * | -129.3 | -170.2 | -70 | 39.7 | -25.8 | 0 | 0 | 0 | 113.5 | |||||
| 524 | E | 28.5 | Very low | 32.7 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | 72 | 158.7 | 159.1 | -63.1 | -174.1 | 121 | 0 | 0 | 121.4 | ||||
| 525 | L | 32.1 | Very low | 33.1 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 86.8 | 144.4 | 161 | -51.3 | -173.1 | 0 | 0 | 0 | 121.1 | ||||
| 526 | L | 29.3 | Very low | 33.5 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | trans | 55.8 | 106.9 | -179.7 | -83.8 | 67.1 | 0 | 0 | 0 | 115.7 | ||||
| 527 | N | 36.1 | Very low | 34 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | cis | 57.1 | 103.2 | 13.2 | -168.8 | 1.4 | 0 | 0 | 0 | 116.3 | ||||
| 528 | K | 33.4 | Very low | 34.6 | Very low | 167 Ų | 167 | 137 Ų | 137 | 73% | 0.726 | 72% | 0.724 | S | S | * | * | trans | -138.8 | 111.3 | 148 | -103.6 | -167.4 | 171.3 | 179.5 | 0 | 111.3 | ||||
| 529 | Q | 35.5 | Very low | 35.2 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 66% | 0.659 | 72% | 0.723 | S | S | * | * | 60.8 | 118.9 | 124 | -71.2 | 178.3 | -43.4 | 0 | 0 | 117 | |||||
| 530 | I | 35.8 | Very low | 35.7 | Very low | 148 Ų | 148 | 138 Ų | 138 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | cis | -155.7 | 145.8 | 30.6 | -91.4 | 134.6 | 0 | 0 | 0 | 112.6 | ||||
| 531 | S | 40.9 | Very low | 36.3 | Very low | 77 Ų | 77 | 134.8 Ų | 134.8 | 54% | 0.538 | 72% | 0.718 | S | S | . | * | trans | 25.5 | 135.6 | 149.6 | -60.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 532 | E | 37.1 | Very low | 37.2 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | 54.2 | 142 | 122.8 | -57.4 | 139.4 | -125.2 | 0 | 0 | 119 | |||||
| 533 | G | 38.9 | Very low | 38.4 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 71% | 0.711 | S | S | * | * | cis | 147.7 | 166.5 | 26.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 534 | E | 36.7 | Very low | 39 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | cis | -165.3 | 149.8 | -1.1 | -105.2 | -169.7 | 149.6 | 0 | 0 | 108.1 | ||||
| 535 | L | 38.8 | Very low | 40.1 | Very low | 127 Ų | 127 | 131 Ų | 131 | 67% | 0.665 | 69% | 0.693 | S | S | * | * | trans | 54.7 | 158.1 | 139.9 | -51.8 | 178.8 | 0 | 0 | 0 | 120.9 | ||||
| 536 | E | 36 | Very low | 41.2 | Very low | 132 Ų | 132 | 130 Ų | 130 | 62% | 0.617 | 68% | 0.684 | S | S | * | * | cis | -166.9 | 166.2 | -11.6 | -109.8 | 176.8 | 156.9 | 0 | 0 | 112.5 | ||||
| 537 | Q | 37.8 | Very low | 42.5 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | trans | 34.1 | 159.1 | 136.8 | -58.8 | 175.4 | 30.6 | 0 | 0 | 123.1 | ||||
| 538 | E | 38.2 | Very low | 43.8 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 70% | 0.701 | 67% | 0.665 | S | S | * | * | cis | -167 | 165.9 | -20 | -108.8 | -162.1 | 147.5 | 0 | 0 | 112.7 | ||||
| 539 | N | 42.2 | Very low | 45.1 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 63% | 0.626 | 66% | 0.661 | S | S | * | * | trans | 48.4 | 112.5 | 142.6 | -60.1 | -23.9 | 0 | 0 | 0 | 125.7 | ||||
| 540 | D | 38.6 | Very low | 46.7 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 68% | 0.684 | 66% | 0.655 | S | S | * | * | 51.3 | 132.2 | 126 | -77.2 | -0.2 | 0 | 0 | 0 | 126.3 | |||||
| 541 | S | 46.2 | Very low | 48.2 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | -153.4 | 151.4 | 138.4 | -165.9 | 0 | 0 | 0 | 0 | 111.4 | L545 | S541-L545 VanDerWaalsContact O-CD1 3.26Å; S541-L545 WeakPolarHBondContact O-CD1 3.49Å; S541-L545 WeakPolarHBondContact O-CG 3.32Å | ||
| 542 | I | 50.3 | Low | 49.3 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | trans | -104.4 | -27 | -133.8 | -77.1 | 170.2 | 0 | 0 | 0 | 117.7 | L545 | I542-L545 WeakPolarHBondContact O-CB 3.41Å; I542-L545 PolarHBondContact O-N 3.47Å | ||
| 543 | T | 53.1 | Low | 50.8 | Low | 127 Ų | 127 | 126.2 Ų | 126.2 | 78% | 0.779 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.5 | -41.4 | -170.5 | 47.6 | 0 | 0 | 0 | 0 | 114.1 | L545 E546 | T543-L545 PolarHBondContact O-N 3.39Å; T543-E546 PolarHBondContact O-N 3.36Å |
| 544 | D | 53.4 | Low | 52.3 | Low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.7 | -26.3 | 175.3 | -129.2 | -16.3 | 0 | 0 | 0 | 111.5 | E546 K548 | D544-E546 PolarHBondContact O-N 3.1Å; D544-K548 WeakPolarHBondContact O-CB 3.37Å; D544-K548 PolarHBondContact O-N 3.37Å; D544-K548 VanDerWaalsContact O-N 3.08Å |
| 545 | L | 52 | Low | 53.8 | Low | 67 Ų | 67 | 126.2 Ų | 126.2 | 35% | 0.351 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.4 | -24.4 | 175 | -75.9 | 177.5 | 0 | 0 | 0 | 112.9 | S541 I542 T543 R549 | S541-L545 VanDerWaalsContact O-CD1 3.26Å; S541-L545 WeakPolarHBondContact O-CD1 3.49Å; S541-L545 WeakPolarHBondContact O-CG 3.32Å; I542-L545 WeakPolarHBondContact O-CB 3.41Å; I542-L545 PolarHBondContact O-N 3.47Å; T543-L545 PolarHBondContact O-N 3.39Å; L545-R549 WeakPolarHBondContact O-CA 3.38Å; L545-R549 WeakPolarHBondContact O-CB 3.46Å; L545-R549 VanDerWaalsContact O-CG 3.3Å; L545-R549 WeakPolarHBondContact O-CG 3.31Å; L545-R549 PolarHBondContact O-N 2.76Å |
| 546 | E | 54.3 | Low | 54.8 | Low | 129 Ų | 129 | 124.6 Ų | 124.6 | 60% | 0.603 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -77.8 | -47.3 | -178.8 | -169.9 | 151 | -121.4 | 0 | 0 | 112.8 | T543 D544 K548 R549 I550 | T543-E546 PolarHBondContact O-N 3.36Å; D544-E546 PolarHBondContact O-N 3.1Å; E546-K548 VanDerWaalsContact C-N 3.26Å; E546-K548 PolarHBondContact O-N 2.73Å; E546-R549 CarbonylContact O-C 3.49Å; E546-R549 WeakPolarHBondContact O-CA 3.31Å; E546-R549 WeakPolarHBondContact O-CB 3.04Å; E546-R549 PolarHBondContact O-N 3.11Å; E546-R549 VanDerWaalsContact O-N 3.15Å; E546-I550 WeakPolarHBondContact O-CG1 3.24Å; E546-I550 PolarHBondContact O-N 3.04Å |
| 547 | N | 57.6 | Low | 56.3 | Low | 99 Ų | 99 | 126.8 Ų | 126.8 | 53% | 0.529 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.8 | -31.6 | 172.2 | -85.9 | -56.9 | 0 | 0 | 0 | 112.2 | R551 | N547-R551 PolarHBondContact O-N 2.89Å |
| 548 | K | 63.9 | Low | 57.7 | Low | 140 Ų | 140 | 122.5 Ų | 122.5 | 61% | 0.609 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.2 | -35.1 | 172.7 | -151 | 167 | -170.9 | 173.6 | 0 | 111.1 | D544 E546 K552 | D544-K548 WeakPolarHBondContact O-CB 3.37Å; D544-K548 PolarHBondContact O-N 3.37Å; D544-K548 VanDerWaalsContact O-N 3.08Å; E546-K548 VanDerWaalsContact C-N 3.26Å; E546-K548 PolarHBondContact O-N 2.73Å; K548-K552 WeakPolarHBondContact O-CB 3.42Å; K548-K552 PolarHBondContact O-N 2.97Å |
| 549 | R | 60.4 | Low | 58.8 | Low | 172 Ų | 172 | 116.8 Ų | 116.8 | 65% | 0.649 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.8 | -50 | 168.2 | -94.4 | -179 | 169.4 | -167.8 | -1.3 | 111 | L545 E546 R551 K552 I553 | L545-R549 WeakPolarHBondContact O-CA 3.38Å; L545-R549 WeakPolarHBondContact O-CB 3.46Å; L545-R549 VanDerWaalsContact O-CG 3.3Å; L545-R549 WeakPolarHBondContact O-CG 3.31Å; L545-R549 PolarHBondContact O-N 2.76Å; E546-R549 CarbonylContact O-C 3.49Å; E546-R549 WeakPolarHBondContact O-CA 3.31Å; E546-R549 WeakPolarHBondContact O-CB 3.04Å; E546-R549 PolarHBondContact O-N 3.11Å; E546-R549 VanDerWaalsContact O-N 3.15Å; R549-R551 PolarHBondContact O-N 3Å; R549-K552 CarbonylContact O-C 3.57Å; R549-K552 WeakPolarHBondContact O-CA 3.29Å; R549-K552 PolarHBondContact O-N 2.86Å; R549-K552 VanDerWaalsContact O-N 3.15Å; R549-I553 HydrophobicContact CB-CD1 4.35Å; R549-I553 WeakPolarHBondContact O-CB 3.38Å; R549-I553 VanDerWaalsContact O-CG1 3.22Å; R549-I553 WeakPolarHBondContact O-CG1 3.27Å; R549-I553 PolarHBondContact O-N 2.9Å |
| 550 | I | 69.3 | Low | 59.6 | Low | 103 Ų | 103 | 116.1 Ų | 116.1 | 53% | 0.528 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.6 | -43.2 | -178.2 | -67.8 | 169.2 | 0 | 0 | 0 | 111.2 | E546 I553 K554 | E546-I550 WeakPolarHBondContact O-CG1 3.24Å; E546-I550 PolarHBondContact O-N 3.04Å; I550-I553 PolarHBondContact O-N 2.89Å; I550-K554 PolarHBondContact O-N 3.39Å |
| 551 | R | 66.8 | Low | 60.8 | Low | 195 Ų | 195 | 118 Ų | 118 | 74% | 0.736 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.7 | -41.8 | 172.9 | -86 | -173.7 | -85.1 | -166 | -4.6 | 112.6 | N547 R549 K554 S555 | N547-R551 PolarHBondContact O-N 2.89Å; R549-R551 PolarHBondContact O-N 3Å; R551-K554 PolarHBondContact O-N 3.27Å; R551-S555 WeakPolarHBondContact O-CB 3.44Å; R551-S555 PolarHBondContact O-N 3.32Å |
| 552 | K | 63.6 | Low | 61.5 | Low | 143 Ų | 143 | 120.7 Ų | 120.7 | 62% | 0.622 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.7 | -47.4 | 169.9 | -92.9 | -172.8 | 172 | -178.3 | 0 | 111.3 | K548 R549 K554 S555 I556 | K548-K552 WeakPolarHBondContact O-CB 3.42Å; K548-K552 PolarHBondContact O-N 2.97Å; R549-K552 CarbonylContact O-C 3.57Å; R549-K552 WeakPolarHBondContact O-CA 3.29Å; R549-K552 PolarHBondContact O-N 2.86Å; R549-K552 VanDerWaalsContact O-N 3.15Å; K552-K554 PolarHBondContact O-N 3.45Å; K552-S555 CarbonylContact O-C 3.55Å; K552-S555 WeakPolarHBondContact O-CB 3.35Å; K552-S555 PolarHBondContact O-N 3.5Å; K552-I556 HydrophobicContact CB-CD1 4.1Å; K552-I556 VanDerWaalsContact O-CB 3.24Å; K552-I556 WeakPolarHBondContact O-CB 3.43Å; K552-I556 WeakPolarHBondContact O-CD1 3.45Å; K552-I556 WeakPolarHBondContact O-CG1 3.44Å; K552-I556 PolarHBondContact O-N 2.72Å |
| 553 | I | 68.7 | Low | 61.9 | Low | 82 Ų | 82 | 119.9 Ų | 119.9 | 42% | 0.421 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.8 | -39.4 | -177.8 | -70.6 | 162.2 | 0 | 0 | 0 | 111.4 | R549 I550 R557 | R549-I553 HydrophobicContact CB-CD1 4.35Å; R549-I553 WeakPolarHBondContact O-CB 3.38Å; R549-I553 VanDerWaalsContact O-CG1 3.22Å; R549-I553 WeakPolarHBondContact O-CG1 3.27Å; R549-I553 PolarHBondContact O-N 2.9Å; I550-I553 PolarHBondContact O-N 2.89Å; I553-R557 WeakPolarHBondContact O-CB 3.3Å; I553-R557 PolarHBondContact O-N 3.4Å |
| 554 | K | 71.3 | Confident | 62.1 | Low | 167 Ų | 167 | 120.4 Ų | 120.4 | 73% | 0.726 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71 | -35.2 | 175.8 | -159.9 | 172.3 | -176 | 178.3 | 0 | 112.3 | I550 R551 K552 S558 | I550-K554 PolarHBondContact O-N 3.39Å; R551-K554 PolarHBondContact O-N 3.27Å; K552-K554 PolarHBondContact O-N 3.45Å; K554-S558 PolarHBondContact O-N 3.28Å; K554-S558 PolarHBondContact O-OG 3Å |
| 555 | S | 66.9 | Low | 62.6 | Low | 75 Ų | 75 | 123 Ų | 123 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.3 | -47.9 | 171.4 | -174 | 0 | 0 | 0 | 0 | 111.7 | R551 K552 R557 S558 A559 | R551-S555 WeakPolarHBondContact O-CB 3.44Å; R551-S555 PolarHBondContact O-N 3.32Å; K552-S555 CarbonylContact O-C 3.55Å; K552-S555 WeakPolarHBondContact O-CB 3.35Å; K552-S555 PolarHBondContact O-N 3.5Å; S555-R557 PolarHBondContact O-N 3.46Å; S555-S558 PolarHBondContact O-N 2.78Å; S555-S558 PolarHBondContact O-OG 3.4Å; S555-A559 WeakPolarHBondContact O-CB 3.45Å; S555-A559 PolarHBondContact O-N 2.91Å |
| 556 | I | 60.6 | Low | 63.2 | Low | 92 Ų | 92 | 122.4 Ų | 122.4 | 47% | 0.472 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.1 | -39.8 | 175.7 | -70.6 | 163.9 | 0 | 0 | 0 | 110.8 | K552 A559 L560 | K552-I556 HydrophobicContact CB-CD1 4.1Å; K552-I556 VanDerWaalsContact O-CB 3.24Å; K552-I556 WeakPolarHBondContact O-CB 3.43Å; K552-I556 WeakPolarHBondContact O-CD1 3.45Å; K552-I556 WeakPolarHBondContact O-CG1 3.44Å; K552-I556 PolarHBondContact O-N 2.72Å; I556-A559 CarbonylContact O-C 3.49Å; I556-A559 PolarHBondContact O-N 3.08Å; I556-L560 HydrophobicContact CG2-CD1 3.97Å; I556-L560 WeakPolarHBondContact O-CB 3.45Å; I556-L560 WeakPolarHBondContact O-CD1 3.5Å; I556-L560 PolarHBondContact O-N 2.97Å |
| 557 | R | 68 | Low | 63.7 | Low | 179 Ų | 179 | 124.4 Ų | 124.4 | 68% | 0.675 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.2 | -33.1 | 177.6 | -170.8 | 177.7 | -66.3 | 169.8 | -0.5 | 112.8 | I553 S555 K561 | I553-R557 WeakPolarHBondContact O-CB 3.3Å; I553-R557 PolarHBondContact O-N 3.4Å; S555-R557 PolarHBondContact O-N 3.46Å; R557-K561 PolarHBondContact O-N 3.3Å; R557-K561 VanDerWaalsContact O-N 3.16Å |
| 558 | S | 66.2 | Low | 64.4 | Low | 54 Ų | 54 | 128 Ų | 128 | 38% | 0.378 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -80.2 | -31.6 | 174.2 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | K554 S555 R562 | K554-S558 PolarHBondContact O-N 3.28Å; K554-S558 PolarHBondContact O-OG 3Å; S555-S558 PolarHBondContact O-N 2.78Å; S555-S558 PolarHBondContact O-OG 3.4Å; S558-R562 PolarHBondContact O-N 3.33Å |
| 559 | A | 61.8 | Low | 64.9 | Low | 31 Ų | 31 | 125.6 Ų | 125.6 | 26% | 0.256 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.6 | -41.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S555 I556 K561 R562 N563 | S555-A559 WeakPolarHBondContact O-CB 3.45Å; S555-A559 PolarHBondContact O-N 2.91Å; I556-A559 CarbonylContact O-C 3.49Å; I556-A559 PolarHBondContact O-N 3.08Å; A559-K561 PolarHBondContact O-N 2.8Å; A559-R562 CarbonylContact O-C 3.16Å; A559-R562 PolarHBondContact O-N 3.38Å; A559-R562 VanDerWaalsContact O-N 3.12Å; A559-N563 WeakPolarHBondContact O-CB 3.15Å; A559-N563 PolarHBondContact O-N 3.06Å |
| 560 | L | 58 | Low | 65.3 | Low | 102 Ų | 102 | 122 Ų | 122 | 53% | 0.534 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.7 | -42.1 | 175.4 | -114.2 | 72.8 | 0 | 0 | 0 | 111.4 | I556 R562 N563 H564 | I556-L560 HydrophobicContact CG2-CD1 3.97Å; I556-L560 WeakPolarHBondContact O-CB 3.45Å; I556-L560 WeakPolarHBondContact O-CD1 3.5Å; I556-L560 PolarHBondContact O-N 2.97Å; L560-R562 VanDerWaalsContact C-N 3.34Å; L560-R562 PolarHBondContact O-N 2.9Å; L560-N563 CarbonylContact O-C 3.56Å; L560-N563 PolarHBondContact O-N 2.89Å; L560-H564 WeakPolarHBondContact O-CB 3.41Å; L560-H564 PolarHBondContact O-N 3.37Å |
| 561 | K | 65.4 | Low | 65.3 | Low | 167 Ų | 167 | 122.1 Ų | 122.1 | 73% | 0.726 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.3 | -36 | 174.2 | -85.8 | -159.7 | 170 | -166.4 | 0 | 113 | R557 A559 H564 Y565 | R557-K561 PolarHBondContact O-N 3.3Å; R557-K561 VanDerWaalsContact O-N 3.16Å; A559-K561 PolarHBondContact O-N 2.8Å; K561-H564 PolarHBondContact O-N 3.48Å; K561-Y565 PolarHBondContact O-N 2.9Å |
| 562 | R | 60.5 | Low | 65.6 | Low | 161 Ų | 161 | 119 Ų | 119 | 61% | 0.608 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.7 | -41 | 172 | -83.2 | -172.4 | -104.1 | 98.1 | -2.2 | 112.4 | S558 A559 L560 H564 Y565 S566 | S558-R562 PolarHBondContact O-N 3.33Å; A559-R562 CarbonylContact O-C 3.16Å; A559-R562 PolarHBondContact O-N 3.38Å; A559-R562 VanDerWaalsContact O-N 3.12Å; L560-R562 VanDerWaalsContact C-N 3.34Å; L560-R562 PolarHBondContact O-N 2.9Å; R562-H564 VanDerWaalsContact C-N 3.27Å; R562-H564 PolarHBondContact O-N 2.96Å; R562-Y565 PolarHBondContact O-N 3.18Å; R562-S566 WeakPolarHBondContact O-CB 3.49Å; R562-S566 PolarHBondContact O-N 2.78Å; R562-S566 PolarHBondContact O-OG 3.08Å |
| 563 | N | 58.4 | Low | 66.2 | Low | 106 Ų | 106 | 117 Ų | 117 | 57% | 0.567 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.3 | -29.9 | 171.9 | -79.6 | 5.4 | 0 | 0 | 0 | 112.2 | A559 L560 R567 | A559-N563 WeakPolarHBondContact O-CB 3.15Å; A559-N563 PolarHBondContact O-N 3.06Å; L560-N563 CarbonylContact O-C 3.56Å; L560-N563 PolarHBondContact O-N 2.89Å; N563-R567 WeakPolarHBondContact O-CA 3.45Å; N563-R567 WeakPolarHBondContact O-CB 3.42Å; N563-R567 PolarHBondContact O-N 3.24Å |
| 564 | H | 57.7 | Low | 66.4 | Low | 139 Ų | 139 | 120.7 Ų | 120.7 | 64% | 0.644 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72.3 | -34.2 | 175.8 | -128.9 | -55.8 | 0 | 0 | 0 | 112.4 | L560 K561 R562 R568 | L560-H564 WeakPolarHBondContact O-CB 3.41Å; L560-H564 PolarHBondContact O-N 3.37Å; K561-H564 PolarHBondContact O-N 3.48Å; R562-H564 VanDerWaalsContact C-N 3.27Å; R562-H564 PolarHBondContact O-N 2.96Å; H564-R568 WeakPolarHBondContact O-CB 3.46Å; H564-R568 PolarHBondContact O-N 3.43Å; H564-R568 VanDerWaalsContact O-N 3.13Å |
| 565 | Y | 62.7 | Low | 66.7 | Low | 179 Ų | 179 | 116.1 Ų | 116.1 | 70% | 0.702 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.7 | -44.5 | 171.9 | -111.9 | -85.7 | 0 | 0 | 0 | 111.6 | K561 R562 R568 I569 | K561-Y565 PolarHBondContact O-N 2.9Å; R562-Y565 PolarHBondContact O-N 3.18Å; Y565-R568 PolarHBondContact O-N 3.25Å; Y565-R568 VanDerWaalsContact O-N 3.11Å; Y565-I569 PolarHBondContact O-N 3.09Å |
| 566 | S | 64.5 | Low | 67.2 | Low | 55 Ų | 55 | 116.1 Ų | 116.1 | 39% | 0.385 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -43 | 177.4 | -49.8 | 0 | 0 | 0 | 0 | 111 | R562 R568 I569 I570 | R562-S566 WeakPolarHBondContact O-CB 3.49Å; R562-S566 PolarHBondContact O-N 2.78Å; R562-S566 PolarHBondContact O-OG 3.08Å; S566-R568 VanDerWaalsContact C-N 3.28Å; S566-R568 PolarHBondContact O-N 3.1Å; S566-I569 PolarHBondContact O-N 3.31Å; S566-I570 VanDerWaalsContact O-CB 3.29Å; S566-I570 WeakPolarHBondContact O-CB 3.47Å; S566-I570 WeakPolarHBondContact O-CG1 3.3Å; S566-I570 PolarHBondContact O-N 3.06Å |
| 567 | R | 66.3 | Low | 68.1 | Low | 171 Ų | 171 | 119.2 Ų | 119.2 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.9 | -36.9 | 170.7 | 178.7 | 178.7 | -94.2 | -130.9 | -0.7 | 111.3 | N563 Q571 | N563-R567 WeakPolarHBondContact O-CA 3.45Å; N563-R567 WeakPolarHBondContact O-CB 3.42Å; N563-R567 PolarHBondContact O-N 3.24Å; R567-Q571 WeakPolarHBondContact O-CA 3.41Å; R567-Q571 WeakPolarHBondContact O-CB 3.36Å; R567-Q571 PolarHBondContact O-N 2.73Å |
| 568 | R | 71.4 | Confident | 68.6 | Low | 174 Ų | 174 | 115.3 Ų | 115.3 | 66% | 0.657 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.9 | -39 | 177.4 | -169 | 173.3 | -173.4 | 160.4 | 5.8 | 112.6 | H564 Y565 S566 Q572 | H564-R568 WeakPolarHBondContact O-CB 3.46Å; H564-R568 PolarHBondContact O-N 3.43Å; H564-R568 VanDerWaalsContact O-N 3.13Å; Y565-R568 PolarHBondContact O-N 3.25Å; Y565-R568 VanDerWaalsContact O-N 3.11Å; S566-R568 VanDerWaalsContact C-N 3.28Å; S566-R568 PolarHBondContact O-N 3.1Å; R568-Q572 WeakPolarHBondContact O-CG 3.38Å; R568-Q572 PolarHBondContact O-N 2.78Å |
| 569 | I | 74 | Confident | 69.4 | Low | 90 Ų | 90 | 117.9 Ų | 117.9 | 46% | 0.462 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.4 | -51.8 | 174 | -65.5 | 173.3 | 0 | 0 | 0 | 109.9 | Y565 S566 Q571 Q572 E573 | Y565-I569 PolarHBondContact O-N 3.09Å; S566-I569 PolarHBondContact O-N 3.31Å; I569-Q571 PolarHBondContact O-N 2.71Å; I569-Q571 VanDerWaalsContact O-N 3.17Å; I569-Q572 WeakPolarHBondContact O-CA 3.46Å; I569-Q572 PolarHBondContact O-N 3.06Å; I569-E573 HydrophobicContact CG2-CG 4.49Å; I569-E573 WeakPolarHBondContact O-CG 3.32Å; I569-E573 PolarHBondContact O-N 3.5Å |
| 570 | I | 69.7 | Low | 70.5 | Confident | 96 Ų | 96 | 120.6 Ų | 120.6 | 49% | 0.492 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56 | -34.9 | 176.1 | -68.9 | 165.7 | 0 | 0 | 0 | 111.1 | S566 E573 W574 | S566-I570 VanDerWaalsContact O-CB 3.29Å; S566-I570 WeakPolarHBondContact O-CB 3.47Å; S566-I570 WeakPolarHBondContact O-CG1 3.3Å; S566-I570 PolarHBondContact O-N 3.06Å; I570-E573 PolarHBondContact O-N 2.98Å; I570-W574 VanDerWaalsContact O-CB 3.29Å; I570-W574 WeakPolarHBondContact O-CB 3.4Å; I570-W574 PolarHBondContact O-N 2.97Å |
| 571 | Q | 68.9 | Low | 71.6 | Confident | 106 Ų | 106 | 120 Ų | 120 | 50% | 0.495 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -79 | -28.9 | 177.6 | -168.7 | 161.1 | 10.5 | 0 | 0 | 112.6 | R567 I569 W574 N575 | R567-Q571 WeakPolarHBondContact O-CA 3.41Å; R567-Q571 WeakPolarHBondContact O-CB 3.36Å; R567-Q571 PolarHBondContact O-N 2.73Å; I569-Q571 PolarHBondContact O-N 2.71Å; I569-Q571 VanDerWaalsContact O-N 3.17Å; Q571-W574 PolarHBondContact O-N 3.36Å; Q571-N575 WeakPolarHBondContact O-CB 3.29Å; Q571-N575 PolarHBondContact O-N 3.12Å; Q571-N575 PolarHBondContact O-OD1 3.48Å |
| 572 | Q | 72.6 | Confident | 72.6 | Confident | 131 Ų | 131 | 117.8 Ų | 117.8 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.3 | -36.3 | 166.8 | -72.5 | -175.8 | -90.2 | 0 | 0 | 111.8 | R568 I569 S576 | R568-Q572 WeakPolarHBondContact O-CG 3.38Å; R568-Q572 PolarHBondContact O-N 2.78Å; I569-Q572 WeakPolarHBondContact O-CA 3.46Å; I569-Q572 PolarHBondContact O-N 3.06Å; Q572-S576 WeakPolarHBondContact O-CB 3.28Å; Q572-S576 PolarHBondContact O-N 3.13Å |
| 573 | E | 76.3 | Confident | 73.7 | Confident | 101 Ų | 101 | 115.3 Ų | 115.3 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 169.6 | -67.6 | 167 | 173.5 | 0 | 0 | 110.5 | I569 I570 S576 Y577 | I569-E573 HydrophobicContact CG2-CG 4.49Å; I569-E573 WeakPolarHBondContact O-CG 3.32Å; I569-E573 PolarHBondContact O-N 3.5Å; I570-E573 PolarHBondContact O-N 2.98Å; E573-S576 CarbonylContact O-C 3.58Å; E573-S576 WeakPolarHBondContact O-CB 3.44Å; E573-S576 PolarHBondContact O-N 2.97Å; E573-S576 VanDerWaalsContact O-N 3.13Å; E573-Y577 HydrophobicContact CB-CE2 4.33Å; E573-Y577 WeakPolarHBondContact O-CD2 3.36Å; E573-Y577 PolarHBondContact O-N 2.99Å |
| 574 | W | 74.1 | Confident | 75 | Confident | 159 Ų | 159 | 113.7 Ų | 113.7 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.8 | -46.7 | 178.4 | -140.5 | 88.5 | 0 | 0 | 0 | 111.8 | I570 Q571 S576 Y577 E578 | I570-W574 VanDerWaalsContact O-CB 3.29Å; I570-W574 WeakPolarHBondContact O-CB 3.4Å; I570-W574 PolarHBondContact O-N 2.97Å; Q571-W574 PolarHBondContact O-N 3.36Å; W574-S576 VanDerWaalsContact C-N 3.26Å; W574-S576 PolarHBondContact O-N 3.27Å; W574-Y577 CarbonylContact O-C 3.56Å; W574-Y577 PolarHBondContact O-N 3.26Å; W574-E578 HydrophobicContact CE3-CB 4.14Å; W574-E578 HydrophobicContact CZ3-CB 4.24Å; W574-E578 HydrophobicContact CZ3-CG 4.21Å; W574-E578 VanDerWaalsContact O-CB 3.27Å; W574-E578 WeakPolarHBondContact O-CB 3.19Å; W574-E578 PolarHBondContact O-N 3.44Å |
| 575 | N | 76.4 | Confident | 76.3 | Confident | 71 Ų | 71 | 110.9 Ų | 110.9 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.2 | -39.2 | 171.4 | -83.7 | 94.1 | 0 | 0 | 0 | 111.4 | Q571 Y577 E578 D579 | Q571-N575 WeakPolarHBondContact O-CB 3.29Å; Q571-N575 PolarHBondContact O-N 3.12Å; Q571-N575 PolarHBondContact O-OD1 3.48Å; N575-Y577 VanDerWaalsContact C-N 3.35Å; N575-Y577 PolarHBondContact O-N 2.95Å; N575-E578 PolarHBondContact O-N 3.19Å; N575-D579 WeakPolarHBondContact O-CB 3.48Å; N575-D579 VanDerWaalsContact O-CG 3.24Å; N575-D579 PolarHBondContact O-N 2.97Å |
| 576 | S | 77.2 | Confident | 77.5 | Confident | 75 Ų | 75 | 106.5 Ų | 106.5 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -27.7 | 175.3 | -170.9 | 0 | 0 | 0 | 0 | 113.9 | Q572 E573 W574 H580 | Q572-S576 WeakPolarHBondContact O-CB 3.28Å; Q572-S576 PolarHBondContact O-N 3.13Å; E573-S576 CarbonylContact O-C 3.58Å; E573-S576 WeakPolarHBondContact O-CB 3.44Å; E573-S576 PolarHBondContact O-N 2.97Å; E573-S576 VanDerWaalsContact O-N 3.13Å; W574-S576 VanDerWaalsContact C-N 3.26Å; W574-S576 PolarHBondContact O-N 3.27Å; S576-H580 WeakPolarHBondContact O-CB 3.24Å; S576-H580 PolarHBondContact O-N 2.77Å |
| 577 | Y | 79.6 | Confident | 78.6 | Confident | 157 Ų | 157 | 109.2 Ų | 109.2 | 62% | 0.616 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -79.8 | -31.6 | 170.6 | -70.9 | -64.2 | 0 | 0 | 0 | 112 | E573 W574 N575 H580 V581 | E573-Y577 HydrophobicContact CB-CE2 4.33Å; E573-Y577 WeakPolarHBondContact O-CD2 3.36Å; E573-Y577 PolarHBondContact O-N 2.99Å; W574-Y577 CarbonylContact O-C 3.56Å; W574-Y577 PolarHBondContact O-N 3.26Å; N575-Y577 VanDerWaalsContact C-N 3.35Å; N575-Y577 PolarHBondContact O-N 2.95Å; Y577-H580 PolarHBondContact O-N 3.26Å; Y577-V581 VanDerWaalsContact O-CB 3.3Å; Y577-V581 WeakPolarHBondContact O-CB 3.34Å; Y577-V581 WeakPolarHBondContact O-CG2 3.47Å; Y577-V581 PolarHBondContact O-N 3.45Å |
| 578 | E | 79.7 | Confident | 79.4 | Confident | 96 Ų | 96 | 106 Ų | 106 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.2 | -44.7 | 176.2 | -173.1 | 171.8 | -144 | 0 | 0 | 110.7 | W574 N575 H580 V581 K582 | W574-E578 HydrophobicContact CE3-CB 4.14Å; W574-E578 HydrophobicContact CZ3-CB 4.24Å; W574-E578 HydrophobicContact CZ3-CG 4.21Å; W574-E578 VanDerWaalsContact O-CB 3.27Å; W574-E578 WeakPolarHBondContact O-CB 3.19Å; W574-E578 PolarHBondContact O-N 3.44Å; N575-E578 PolarHBondContact O-N 3.19Å; E578-H580 VanDerWaalsContact C-N 3.33Å; E578-H580 PolarHBondContact O-N 3.46Å; E578-V581 PolarHBondContact O-N 2.99Å; E578-K582 WeakPolarHBondContact O-CB 3.33Å; E578-K582 PolarHBondContact O-N 3.27Å |
| 579 | D | 82.4 | Confident | 80 | Confident | 109 Ų | 109 | 101 Ų | 101 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.1 | -43 | 169.5 | -73.2 | -32.9 | 0 | 0 | 0 | 111.1 | N575 K582 E583 | N575-D579 WeakPolarHBondContact O-CB 3.48Å; N575-D579 VanDerWaalsContact O-CG 3.24Å; N575-D579 PolarHBondContact O-N 2.97Å; D579-K582 PolarHBondContact O-N 2.87Å; D579-E583 WeakPolarHBondContact O-CB 3.45Å; D579-E583 PolarHBondContact O-N 2.93Å |
| 580 | H | 83.9 | Confident | 80.6 | Confident | 88 Ų | 88 | 103.2 Ų | 103.2 | 41% | 0.407 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -76.2 | -33.3 | 179.8 | -172.7 | 52.5 | 0 | 0 | 0 | 113.6 | S576 Y577 E578 K582 E583 L584 | S576-H580 WeakPolarHBondContact O-CB 3.24Å; S576-H580 PolarHBondContact O-N 2.77Å; Y577-H580 PolarHBondContact O-N 3.26Å; E578-H580 VanDerWaalsContact C-N 3.33Å; E578-H580 PolarHBondContact O-N 3.46Å; H580-K582 VanDerWaalsContact C-N 3.3Å; H580-E583 IonicContact CE1-OE2 3.92Å; H580-E583 IonicContact CG-OE2 3.92Å; H580-E583 IonicContact ND1-OE2 2.84Å; H580-E583 PolarHBondContact ND1-OE2 3.35Å; H580-E583 PolarHBondContact O-N 2.92Å; H580-L584 WeakPolarHBondContact O-CB 3.45Å; H580-L584 VanDerWaalsContact O-CG 3.31Å; H580-L584 WeakPolarHBondContact O-CG 3.38Å; H580-L584 PolarHBondContact O-N 2.93Å |
| 581 | V | 83 | Confident | 81.4 | Confident | 90 Ų | 90 | 103.3 Ų | 103.3 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 169.5 | 163.6 | 0 | 0 | 0 | 0 | 110 | Y577 E578 T585 | Y577-V581 VanDerWaalsContact O-CB 3.3Å; Y577-V581 WeakPolarHBondContact O-CB 3.34Å; Y577-V581 WeakPolarHBondContact O-CG2 3.47Å; Y577-V581 PolarHBondContact O-N 3.45Å; E578-V581 PolarHBondContact O-N 2.99Å; V581-T585 WeakPolarHBondContact O-CB 3Å; V581-T585 PolarHBondContact O-N 2.81Å; V581-T585 PolarHBondContact O-OG1 3.19Å |
| 582 | K | 85 | Confident | 82.2 | Confident | 120 Ų | 120 | 105.3 Ų | 105.3 | 52% | 0.522 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 172.3 | -170 | -173.2 | 179 | -67.9 | 0 | 111.6 | E578 D579 H580 L584 T585 D586 | E578-K582 WeakPolarHBondContact O-CB 3.33Å; E578-K582 PolarHBondContact O-N 3.27Å; D579-K582 PolarHBondContact O-N 2.87Å; H580-K582 VanDerWaalsContact C-N 3.3Å; K582-L584 VanDerWaalsContact C-N 3.35Å; K582-L584 PolarHBondContact O-N 2.72Å; K582-T585 CarbonylContact O-C 3.55Å; K582-T585 WeakPolarHBondContact O-CA 3.49Å; K582-T585 WeakPolarHBondContact O-CB 3.41Å; K582-T585 PolarHBondContact O-N 3.19Å; K582-D586 IonicContact NZ-OD1 3.39Å; K582-D586 PolarHBondContact NZ-OD1 3.48Å; K582-D586 IonicContact NZ-OD2 2.66Å; K582-D586 PolarHBondContact NZ-OD2 2.85Å; K582-D586 PolarHBondContact O-N 3.45Å |
| 583 | E | 84.7 | Confident | 82.9 | Confident | 109 Ų | 109 | 103 Ų | 103 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.1 | -48.1 | 175 | -175.7 | 177.2 | -129.1 | 0 | 0 | 111.4 | D579 H580 T585 D586 E587 | D579-E583 WeakPolarHBondContact O-CB 3.45Å; D579-E583 PolarHBondContact O-N 2.93Å; H580-E583 IonicContact CE1-OE2 3.92Å; H580-E583 IonicContact CG-OE2 3.92Å; H580-E583 IonicContact ND1-OE2 2.84Å; H580-E583 PolarHBondContact ND1-OE2 3.35Å; H580-E583 PolarHBondContact O-N 2.92Å; E583-T585 VanDerWaalsContact C-N 3.31Å; E583-T585 PolarHBondContact O-N 3.29Å; E583-D586 PolarHBondContact O-N 3.02Å; E583-E587 WeakPolarHBondContact O-CG 3.14Å; E583-E587 PolarHBondContact O-N 2.88Å |
| 584 | L | 84.8 | Confident | 83.1 | Confident | 72 Ų | 72 | 102.1 Ų | 102.1 | 38% | 0.377 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -30.2 | 174.1 | -71.1 | 169.5 | 0 | 0 | 0 | 113.3 | H580 K582 I588 | H580-L584 WeakPolarHBondContact O-CB 3.45Å; H580-L584 VanDerWaalsContact O-CG 3.31Å; H580-L584 WeakPolarHBondContact O-CG 3.38Å; H580-L584 PolarHBondContact O-N 2.93Å; K582-L584 VanDerWaalsContact C-N 3.35Å; K582-L584 PolarHBondContact O-N 2.72Å; L584-I588 VanDerWaalsContact O-CB 3.28Å; L584-I588 WeakPolarHBondContact O-CB 3.24Å; L584-I588 WeakPolarHBondContact O-CD1 3.47Å; L584-I588 WeakPolarHBondContact O-CG1 3.4Å; L584-I588 PolarHBondContact O-N 3.01Å |
| 585 | T | 84.9 | Confident | 83.5 | Confident | 79 Ų | 79 | 99 Ų | 99 | 49% | 0.485 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.4 | -41.8 | 175.6 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | V581 K582 E583 I588 E589 | V581-T585 WeakPolarHBondContact O-CB 3Å; V581-T585 PolarHBondContact O-N 2.81Å; V581-T585 PolarHBondContact O-OG1 3.19Å; K582-T585 CarbonylContact O-C 3.55Å; K582-T585 WeakPolarHBondContact O-CA 3.49Å; K582-T585 WeakPolarHBondContact O-CB 3.41Å; K582-T585 PolarHBondContact O-N 3.19Å; E583-T585 VanDerWaalsContact C-N 3.31Å; E583-T585 PolarHBondContact O-N 3.29Å; T585-I588 PolarHBondContact O-N 3.46Å; T585-E589 WeakPolarHBondContact O-CB 3.27Å; T585-E589 PolarHBondContact O-N 3.46Å |
| 586 | D | 87.8 | Confident | 83.9 | Confident | 87 Ų | 87 | 99.4 Ų | 99.4 | 47% | 0.465 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 174.5 | -66.3 | -23.5 | 0 | 0 | 0 | 110.1 | K582 E583 E589 E590 | K582-D586 IonicContact NZ-OD1 3.39Å; K582-D586 PolarHBondContact NZ-OD1 3.48Å; K582-D586 IonicContact NZ-OD2 2.66Å; K582-D586 PolarHBondContact NZ-OD2 2.85Å; K582-D586 PolarHBondContact O-N 3.45Å; E583-D586 PolarHBondContact O-N 3.02Å; D586-E589 PolarHBondContact O-N 2.95Å; D586-E590 PolarHBondContact O-N 3.09Å |
| 587 | E | 87.1 | Confident | 84.3 | Confident | 112 Ų | 112 | 100.4 Ų | 100.4 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 172.3 | -77.4 | -168.4 | 160.3 | 0 | 0 | 112.6 | E583 E589 E590 V591 | E583-E587 WeakPolarHBondContact O-CG 3.14Å; E583-E587 PolarHBondContact O-N 2.88Å; E587-E589 VanDerWaalsContact C-N 3.29Å; E587-E589 PolarHBondContact O-N 3.4Å; E587-E590 PolarHBondContact O-N 3.22Å; E587-V591 WeakPolarHBondContact O-CB 3.29Å; E587-V591 WeakPolarHBondContact O-CG2 3.33Å; E587-V591 PolarHBondContact O-N 3.47Å |
| 588 | I | 83.8 | Confident | 84.4 | Confident | 105 Ų | 105 | 95 Ų | 95 | 54% | 0.538 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 177.3 | -77.9 | 167.1 | 0 | 0 | 0 | 110.6 | L584 T585 V591 R592 | L584-I588 VanDerWaalsContact O-CB 3.28Å; L584-I588 WeakPolarHBondContact O-CB 3.24Å; L584-I588 WeakPolarHBondContact O-CD1 3.47Å; L584-I588 WeakPolarHBondContact O-CG1 3.4Å; L584-I588 PolarHBondContact O-N 3.01Å; T585-I588 PolarHBondContact O-N 3.46Å; I588-V591 PolarHBondContact O-N 3.46Å; I588-R592 HydrophobicContact CG2-CG 4.42Å; I588-R592 WeakPolarHBondContact O-CB 3.33Å; I588-R592 WeakPolarHBondContact O-CG 3.41Å; I588-R592 PolarHBondContact O-N 3.22Å |
| 589 | E | 84.3 | Confident | 84.6 | Confident | 69 Ų | 69 | 96 Ų | 96 | 32% | 0.322 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.6 | -36.5 | 179.1 | -173.9 | 49.2 | -145.8 | 0 | 0 | 112.3 | T585 D586 E587 V591 R592 Q593 | T585-E589 WeakPolarHBondContact O-CB 3.27Å; T585-E589 PolarHBondContact O-N 3.46Å; D586-E589 PolarHBondContact O-N 2.95Å; E587-E589 VanDerWaalsContact C-N 3.29Å; E587-E589 PolarHBondContact O-N 3.4Å; E589-V591 VanDerWaalsContact C-N 3.35Å; E589-V591 PolarHBondContact O-N 3.26Å; E589-R592 PolarHBondContact O-N 3.34Å; E589-R592 IonicContact OE2-CZ 3.66Å; E589-R592 IonicContact OE2-NH1 2.71Å; E589-R592 PolarHBondContact OE2-NH1 3.17Å; E589-Q593 WeakPolarHBondContact O-CG 3.4Å; E589-Q593 PolarHBondContact O-N 2.97Å; E589-Q593 WeakPolarHBondContact OE1-CG 3.36Å; E589-Q593 PolarHBondContact OE1-NE2 2.88Å |
| 590 | E | 86.3 | Confident | 84.6 | Confident | 135 Ų | 135 | 96 Ų | 96 | 63% | 0.631 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.6 | -43.9 | 169.2 | -176.6 | 169.7 | -160.6 | 0 | 0 | 111.4 | D586 E587 R592 Q593 E594 | D586-E590 PolarHBondContact O-N 3.09Å; E587-E590 PolarHBondContact O-N 3.22Å; E590-R592 PolarHBondContact O-N 3.33Å; E590-Q593 PolarHBondContact O-N 2.67Å; E590-E594 PolarHBondContact O-N 3.44Å |
| 591 | V | 86.1 | Confident | 84.5 | Confident | 99 Ų | 99 | 98.2 Ų | 98.2 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.7 | -38.2 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | E587 I588 E589 L595 | E587-V591 WeakPolarHBondContact O-CB 3.29Å; E587-V591 WeakPolarHBondContact O-CG2 3.33Å; E587-V591 PolarHBondContact O-N 3.47Å; I588-V591 PolarHBondContact O-N 3.46Å; E589-V591 VanDerWaalsContact C-N 3.35Å; E589-V591 PolarHBondContact O-N 3.26Å; V591-L595 VanDerWaalsContact O-CB 3.24Å; V591-L595 WeakPolarHBondContact O-CB 3.43Å; V591-L595 PolarHBondContact O-N 2.96Å |
| 592 | R | 86.9 | Confident | 84.3 | Confident | 147 Ų | 147 | 99.8 Ų | 99.8 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.1 | -42.7 | 174.7 | -73.9 | 166.6 | 94.1 | -134.2 | 9.9 | 111.4 | I588 E589 E590 L595 T596 | I588-R592 HydrophobicContact CG2-CG 4.42Å; I588-R592 WeakPolarHBondContact O-CB 3.33Å; I588-R592 WeakPolarHBondContact O-CG 3.41Å; I588-R592 PolarHBondContact O-N 3.22Å; E589-R592 PolarHBondContact O-N 3.34Å; E589-R592 IonicContact OE2-CZ 3.66Å; E589-R592 IonicContact OE2-NH1 2.71Å; E589-R592 PolarHBondContact OE2-NH1 3.17Å; E590-R592 PolarHBondContact O-N 3.33Å; R592-L595 PolarHBondContact O-N 2.89Å; R592-T596 PolarHBondContact O-N 3.06Å; R592-T596 PolarHBondContact O-OG1 3.27Å |
| 593 | Q | 87 | Confident | 84.2 | Confident | 82 Ų | 82 | 99.3 Ų | 99.3 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 176.5 | -69.7 | 176.2 | 25.7 | 0 | 0 | 112.4 | E589 E590 L595 T596 R597 | E589-Q593 WeakPolarHBondContact O-CG 3.4Å; E589-Q593 PolarHBondContact O-N 2.97Å; E589-Q593 WeakPolarHBondContact OE1-CG 3.36Å; E589-Q593 PolarHBondContact OE1-NE2 2.88Å; E590-Q593 PolarHBondContact O-N 2.67Å; Q593-L595 VanDerWaalsContact C-N 3.32Å; Q593-L595 PolarHBondContact O-N 2.97Å; Q593-T596 PolarHBondContact O-N 3.23Å; Q593-R597 WeakPolarHBondContact O-CG 3.43Å; Q593-R597 PolarHBondContact O-N 2.91Å |
| 594 | E | 81 | Confident | 84.1 | Confident | 83 Ų | 83 | 99.5 Ų | 99.5 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.3 | -30 | 177.3 | -164 | 59.1 | -156.9 | 0 | 0 | 112 | E590 R597 A598 R601 | E590-E594 PolarHBondContact O-N 3.44Å; E594-R597 PolarHBondContact O-N 3.4Å; E594-R597 WeakPolarHBondContact OE2-CD 3.4Å; E594-R597 IonicContact OE2-CZ 3.68Å; E594-R597 IonicContact OE2-NE 3.95Å; E594-R597 IonicContact OE2-NH1 2.73Å; E594-R597 PolarHBondContact OE2-NH1 3.42Å; E594-A598 WeakPolarHBondContact O-CB 3.48Å; E594-A598 PolarHBondContact O-N 3.3Å; E594-R601 IonicContact OE1-CZ 3.99Å; E594-R601 IonicContact OE1-NH1 3.21Å; E594-R601 PolarHBondContact OE1-NH1 3.3Å; E594-R601 IonicContact OE1-NH2 3.75Å; E594-R601 PolarHBondContact OE1-NH2 2.8Å |
| 595 | L | 82.7 | Confident | 83.9 | Confident | 95 Ų | 95 | 100.3 Ų | 100.3 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 168.1 | 179.4 | 64.4 | 0 | 0 | 0 | 112.1 | V591 R592 Q593 A598 K599 | V591-L595 VanDerWaalsContact O-CB 3.24Å; V591-L595 WeakPolarHBondContact O-CB 3.43Å; V591-L595 PolarHBondContact O-N 2.96Å; R592-L595 PolarHBondContact O-N 2.89Å; Q593-L595 VanDerWaalsContact C-N 3.32Å; Q593-L595 PolarHBondContact O-N 2.97Å; L595-A598 WeakPolarHBondContact O-CB 3.32Å; L595-A598 PolarHBondContact O-N 2.99Å; L595-K599 PolarHBondContact O-N 3.22Å |
| 596 | T | 83.7 | Confident | 83.9 | Confident | 79 Ų | 79 | 102.1 Ų | 102.1 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 173.2 | -61.6 | 0 | 0 | 0 | 0 | 110.8 | R592 Q593 A598 K599 E600 | R592-T596 PolarHBondContact O-N 3.06Å; R592-T596 PolarHBondContact O-OG1 3.27Å; Q593-T596 PolarHBondContact O-N 3.23Å; T596-A598 PolarHBondContact O-N 3.38Å; T596-K599 PolarHBondContact O-N 3.14Å; T596-K599 VanDerWaalsContact O-N 3.12Å; T596-E600 WeakPolarHBondContact O-CG 3.46Å; T596-E600 PolarHBondContact O-N 3.33Å |
| 597 | R | 85.8 | Confident | 83.6 | Confident | 96 Ų | 96 | 102.5 Ų | 102.5 | 36% | 0.362 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -29.4 | 173.7 | -64.5 | 175.2 | -155.4 | 119.7 | 6.6 | 112.4 | Q593 E594 R601 | Q593-R597 WeakPolarHBondContact O-CG 3.43Å; Q593-R597 PolarHBondContact O-N 2.91Å; E594-R597 PolarHBondContact O-N 3.4Å; E594-R597 WeakPolarHBondContact OE2-CD 3.4Å; E594-R597 IonicContact OE2-CZ 3.68Å; E594-R597 IonicContact OE2-NE 3.95Å; E594-R597 IonicContact OE2-NH1 2.73Å; E594-R597 PolarHBondContact OE2-NH1 3.42Å; R597-R601 WeakPolarHBondContact O-CB 3.49Å; R597-R601 WeakPolarHBondContact O-CG 3.41Å; R597-R601 PolarHBondContact O-N 3.4Å; R597-R601 PolarHBondContact O-NE 3.43Å; R597-R601 PolarHBondContact O-NH2 3.03Å |
| 598 | A | 82 | Confident | 83.4 | Confident | 42 Ų | 42 | 102 Ų | 102 | 35% | 0.347 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.9 | -46 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E594 L595 T596 E600 R601 E602 | E594-A598 WeakPolarHBondContact O-CB 3.48Å; E594-A598 PolarHBondContact O-N 3.3Å; L595-A598 WeakPolarHBondContact O-CB 3.32Å; L595-A598 PolarHBondContact O-N 2.99Å; T596-A598 PolarHBondContact O-N 3.38Å; A598-E600 PolarHBondContact O-N 2.91Å; A598-R601 WeakPolarHBondContact O-CB 3.22Å; A598-R601 PolarHBondContact O-N 3.31Å; A598-E602 WeakPolarHBondContact O-CB 3.45Å; A598-E602 PolarHBondContact O-N 2.91Å |
| 599 | K | 83.9 | Confident | 83.4 | Confident | 117 Ų | 117 | 101 Ų | 101 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 174.4 | -72.6 | -179.4 | 176.2 | -175.9 | 0 | 112.8 | L595 T596 E602 I603 | L595-K599 PolarHBondContact O-N 3.22Å; T596-K599 PolarHBondContact O-N 3.14Å; T596-K599 VanDerWaalsContact O-N 3.12Å; K599-E602 WeakPolarHBondContact O-CB 3.48Å; K599-E602 PolarHBondContact O-N 2.99Å; K599-I603 WeakPolarHBondContact O-CB 3.34Å; K599-I603 VanDerWaalsContact O-CG1 3.29Å; K599-I603 WeakPolarHBondContact O-CG1 3.09Å; K599-I603 PolarHBondContact O-N 3.39Å |
| 600 | E | 82 | Confident | 83.4 | Confident | 109 Ų | 109 | 102.4 Ų | 102.4 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 172.7 | -71 | 176.2 | 158.5 | 0 | 0 | 111.8 | T596 A598 E602 I603 I604 | T596-E600 WeakPolarHBondContact O-CG 3.46Å; T596-E600 PolarHBondContact O-N 3.33Å; A598-E600 PolarHBondContact O-N 2.91Å; E600-E602 VanDerWaalsContact C-N 3.29Å; E600-E602 PolarHBondContact O-N 3.31Å; E600-I603 PolarHBondContact O-N 3.28Å; E600-I604 WeakPolarHBondContact O-CB 3.27Å; E600-I604 WeakPolarHBondContact O-CD1 3.2Å; E600-I604 WeakPolarHBondContact O-CG1 3.45Å; E600-I604 PolarHBondContact O-N 2.92Å |
| 601 | R | 81.6 | Confident | 83.2 | Confident | 136 Ų | 136 | 102.9 Ų | 102.9 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -33.5 | 175.3 | -77.5 | 173.5 | -73.7 | -164.1 | -0.2 | 112.1 | E594 R597 A598 N605 | E594-R601 IonicContact OE1-CZ 3.99Å; E594-R601 IonicContact OE1-NH1 3.21Å; E594-R601 PolarHBondContact OE1-NH1 3.3Å; E594-R601 IonicContact OE1-NH2 3.75Å; E594-R601 PolarHBondContact OE1-NH2 2.8Å; R597-R601 WeakPolarHBondContact O-CB 3.49Å; R597-R601 WeakPolarHBondContact O-CG 3.41Å; R597-R601 PolarHBondContact O-N 3.4Å; R597-R601 PolarHBondContact O-NE 3.43Å; R597-R601 PolarHBondContact O-NH2 3.03Å; A598-R601 WeakPolarHBondContact O-CB 3.22Å; A598-R601 PolarHBondContact O-N 3.31Å; R601-N605 VanDerWaalsContact O-CB 3.28Å; R601-N605 WeakPolarHBondContact O-CB 3.42Å; R601-N605 PolarHBondContact O-N 3.3Å; R601-N605 VanDerWaalsContact O-N 3.16Å |
| 602 | E | 80.1 | Confident | 83 | Confident | 122 Ų | 122 | 102.3 Ų | 102.3 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.8 | -53.1 | 174.4 | -172.4 | 163.8 | -130.8 | 0 | 0 | 111.5 | A598 K599 E600 I604 N605 E606 | A598-E602 WeakPolarHBondContact O-CB 3.45Å; A598-E602 PolarHBondContact O-N 2.91Å; K599-E602 WeakPolarHBondContact O-CB 3.48Å; K599-E602 PolarHBondContact O-N 2.99Å; E600-E602 VanDerWaalsContact C-N 3.29Å; E600-E602 PolarHBondContact O-N 3.31Å; E602-I604 VanDerWaalsContact C-N 3.34Å; E602-I604 PolarHBondContact O-N 3.1Å; E602-N605 CarbonylContact O-C 3.58Å; E602-N605 WeakPolarHBondContact O-CA 3.49Å; E602-N605 WeakPolarHBondContact O-CB 3.23Å; E602-N605 PolarHBondContact O-N 3.28Å; E602-E606 PolarHBondContact O-N 3.08Å |
| 603 | I | 82.8 | Confident | 82.8 | Confident | 111 Ų | 111 | 98.1 Ų | 98.1 | 57% | 0.569 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.2 | -43.7 | 177.5 | -67.7 | 163.9 | 0 | 0 | 0 | 111.4 | K599 E600 N605 E606 E607 | K599-I603 WeakPolarHBondContact O-CB 3.34Å; K599-I603 VanDerWaalsContact O-CG1 3.29Å; K599-I603 WeakPolarHBondContact O-CG1 3.09Å; K599-I603 PolarHBondContact O-N 3.39Å; E600-I603 PolarHBondContact O-N 3.28Å; I603-N605 VanDerWaalsContact C-N 3.26Å; I603-N605 PolarHBondContact O-N 3.46Å; I603-E606 PolarHBondContact O-N 3.45Å; I603-E607 WeakPolarHBondContact O-CB 3.42Å; I603-E607 PolarHBondContact O-N 3.23Å |
| 604 | I | 81.6 | Confident | 82.6 | Confident | 113 Ų | 113 | 95.8 Ų | 95.8 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.2 | -35.2 | 176 | -70.6 | 166.9 | 0 | 0 | 0 | 111 | E600 E602 H608 | E600-I604 WeakPolarHBondContact O-CB 3.27Å; E600-I604 WeakPolarHBondContact O-CD1 3.2Å; E600-I604 WeakPolarHBondContact O-CG1 3.45Å; E600-I604 PolarHBondContact O-N 2.92Å; E602-I604 VanDerWaalsContact C-N 3.34Å; E602-I604 PolarHBondContact O-N 3.1Å; I604-H608 WeakPolarHBondContact O-CB 3.41Å; I604-H608 PolarHBondContact O-N 3.31Å |
| 605 | N | 81.7 | Confident | 82.7 | Confident | 88 Ų | 88 | 95.6 Ų | 95.6 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.4 | -40.4 | 177.1 | -171.9 | 52.4 | 0 | 0 | 0 | 112.1 | R601 E602 I603 H608 I609 | R601-N605 VanDerWaalsContact O-CB 3.28Å; R601-N605 WeakPolarHBondContact O-CB 3.42Å; R601-N605 PolarHBondContact O-N 3.3Å; R601-N605 VanDerWaalsContact O-N 3.16Å; E602-N605 CarbonylContact O-C 3.58Å; E602-N605 WeakPolarHBondContact O-CA 3.49Å; E602-N605 WeakPolarHBondContact O-CB 3.23Å; E602-N605 PolarHBondContact O-N 3.28Å; I603-N605 VanDerWaalsContact C-N 3.26Å; I603-N605 PolarHBondContact O-N 3.46Å; N605-H608 PolarHBondContact O-N 3.07Å; N605-I609 WeakPolarHBondContact O-CB 3.49Å; N605-I609 WeakPolarHBondContact O-CD1 3.49Å; N605-I609 VanDerWaalsContact O-CG1 3.22Å; N605-I609 WeakPolarHBondContact O-CG1 3.21Å; N605-I609 PolarHBondContact O-N 3.41Å |
| 606 | E | 83.4 | Confident | 82.8 | Confident | 118 Ų | 118 | 94.4 Ų | 94.4 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 172.3 | -70.9 | -165 | 138.6 | 0 | 0 | 112 | E602 I603 H608 I609 T610 | E602-E606 PolarHBondContact O-N 3.08Å; I603-E606 PolarHBondContact O-N 3.45Å; E606-H608 VanDerWaalsContact C-N 3.33Å; E606-H608 PolarHBondContact O-N 3.29Å; E606-I609 PolarHBondContact O-N 3.2Å; E606-T610 WeakPolarHBondContact O-CB 3.41Å; E606-T610 PolarHBondContact O-N 3.48Å; E606-T610 PolarHBondContact O-OG1 3.27Å |
| 607 | E | 82 | Confident | 82.9 | Confident | 95 Ų | 95 | 95.3 Ų | 95.3 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 176.1 | -152.2 | -148.1 | 160.1 | 0 | 0 | 110.9 | I603 T610 R611 | I603-E607 WeakPolarHBondContact O-CB 3.42Å; I603-E607 PolarHBondContact O-N 3.23Å; E607-T610 PolarHBondContact O-N 3.42Å; E607-R611 VanDerWaalsContact CD-NE 3.27Å; E607-R611 WeakPolarHBondContact O-CB 3.41Å; E607-R611 WeakPolarHBondContact O-CD 3.23Å; E607-R611 WeakPolarHBondContact O-CG 3.38Å; E607-R611 PolarHBondContact O-N 2.83Å; E607-R611 IonicContact OE1-CZ 2.71Å; E607-R611 IonicContact OE1-NE 3.92Å; E607-R611 PolarHBondContact OE1-NE 2.92Å; E607-R611 IonicContact OE1-NH2 3.67Å; E607-R611 PolarHBondContact OE1-NH2 3.31Å; E607-R611 IonicContact OE2-CZ 2.76Å; E607-R611 IonicContact OE2-NE 2.9Å; E607-R611 IonicContact OE2-NH1 2.72Å; E607-R611 IonicContact OE2-NH2 3.92Å; E607-R611 PolarHBondContact OE2-NH2 3.23Å |
| 608 | H | 84 | Confident | 82.9 | Confident | 101 Ų | 101 | 97.9 Ų | 97.9 | 47% | 0.468 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 174.3 | -177.2 | -117.6 | 0 | 0 | 0 | 112.1 | I604 N605 E606 R611 L612 | I604-H608 WeakPolarHBondContact O-CB 3.41Å; I604-H608 PolarHBondContact O-N 3.31Å; N605-H608 PolarHBondContact O-N 3.07Å; E606-H608 VanDerWaalsContact C-N 3.33Å; E606-H608 PolarHBondContact O-N 3.29Å; H608-R611 PolarHBondContact O-N 2.98Å; H608-L612 WeakPolarHBondContact CE1-CD1 3.34Å; H608-L612 WeakPolarHBondContact O-CB 3.3Å; H608-L612 PolarHBondContact O-N 3.27Å |
| 609 | I | 82.7 | Confident | 83 | Confident | 85 Ų | 85 | 100.9 Ų | 100.9 | 44% | 0.436 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 174 | -72.2 | 163.5 | 0 | 0 | 0 | 110.4 | N605 E606 L612 S613 | N605-I609 WeakPolarHBondContact O-CB 3.49Å; N605-I609 WeakPolarHBondContact O-CD1 3.49Å; N605-I609 VanDerWaalsContact O-CG1 3.22Å; N605-I609 WeakPolarHBondContact O-CG1 3.21Å; N605-I609 PolarHBondContact O-N 3.41Å; E606-I609 PolarHBondContact O-N 3.2Å; I609-L612 WeakPolarHBondContact O-CB 3.35Å; I609-L612 PolarHBondContact O-N 2.76Å; I609-L612 VanDerWaalsContact O-N 3.15Å; I609-S613 PolarHBondContact O-N 2.88Å; I609-S613 PolarHBondContact O-OG 2.86Å |
| 610 | T | 84 | Confident | 83 | Confident | 98 Ų | 98 | 99.9 Ų | 99.9 | 60% | 0.601 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -44.6 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | E606 E607 L612 S613 G614 | E606-T610 WeakPolarHBondContact O-CB 3.41Å; E606-T610 PolarHBondContact O-N 3.48Å; E606-T610 PolarHBondContact O-OG1 3.27Å; E607-T610 PolarHBondContact O-N 3.42Å; T610-L612 VanDerWaalsContact C-N 3.32Å; T610-L612 PolarHBondContact O-N 3.5Å; T610-S613 PolarHBondContact O-N 3.24Å; T610-G614 PolarHBondContact O-N 3.42Å |
| 611 | R | 83.2 | Confident | 83.1 | Confident | 144 Ų | 144 | 100.1 Ų | 100.1 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 173.2 | -70.7 | 163.8 | 178.5 | -179.6 | 0 | 112.1 | E607 H608 T615 | E607-R611 VanDerWaalsContact CD-NE 3.27Å; E607-R611 WeakPolarHBondContact O-CB 3.41Å; E607-R611 WeakPolarHBondContact O-CD 3.23Å; E607-R611 WeakPolarHBondContact O-CG 3.38Å; E607-R611 PolarHBondContact O-N 2.83Å; E607-R611 IonicContact OE1-CZ 2.71Å; E607-R611 IonicContact OE1-NE 3.92Å; E607-R611 PolarHBondContact OE1-NE 2.92Å; E607-R611 IonicContact OE1-NH2 3.67Å; E607-R611 PolarHBondContact OE1-NH2 3.31Å; E607-R611 IonicContact OE2-CZ 2.76Å; E607-R611 IonicContact OE2-NE 2.9Å; E607-R611 IonicContact OE2-NH1 2.72Å; E607-R611 IonicContact OE2-NH2 3.92Å; E607-R611 PolarHBondContact OE2-NH2 3.23Å; H608-R611 PolarHBondContact O-N 2.98Å; R611-T615 WeakPolarHBondContact O-CB 3.27Å; R611-T615 PolarHBondContact O-N 3.42Å; R611-T615 PolarHBondContact O-OG1 2.8Å |
| 612 | L | 80.6 | Confident | 83 | Confident | 88 Ų | 88 | 97.9 Ų | 97.9 | 46% | 0.461 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -51.1 | 175 | -105.7 | 143.9 | 0 | 0 | 0 | 111.4 | H608 I609 T610 G614 T615 V616 | H608-L612 WeakPolarHBondContact CE1-CD1 3.34Å; H608-L612 WeakPolarHBondContact O-CB 3.3Å; H608-L612 PolarHBondContact O-N 3.27Å; I609-L612 WeakPolarHBondContact O-CB 3.35Å; I609-L612 PolarHBondContact O-N 2.76Å; I609-L612 VanDerWaalsContact O-N 3.15Å; T610-L612 VanDerWaalsContact C-N 3.32Å; T610-L612 PolarHBondContact O-N 3.5Å; L612-G614 PolarHBondContact O-N 3.13Å; L612-T615 CarbonylContact O-C 3.58Å; L612-T615 WeakPolarHBondContact O-CA 3.27Å; L612-T615 WeakPolarHBondContact O-CB 3.42Å; L612-T615 PolarHBondContact O-N 3Å; L612-V616 WeakPolarHBondContact O-CG2 3.29Å; L612-V616 PolarHBondContact O-N 2.76Å |
| 613 | S | 83 | Confident | 83 | Confident | 59 Ų | 59 | 95.3 Ų | 95.3 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.4 | -53.4 | 178.3 | -57 | 0 | 0 | 0 | 0 | 111 | I609 T610 T615 V616 D617 | I609-S613 PolarHBondContact O-N 2.88Å; I609-S613 PolarHBondContact O-OG 2.86Å; T610-S613 PolarHBondContact O-N 3.24Å; S613-T615 PolarHBondContact O-N 3.49Å; S613-V616 WeakPolarHBondContact O-CA 3.32Å; S613-V616 PolarHBondContact O-N 3.49Å; S613-D617 VanDerWaalsContact O-CG 3.29Å; S613-D617 PolarHBondContact O-N 2.95Å |
| 614 | G | 83.7 | Confident | 82.9 | Confident | 32 Ų | 32 | 94.5 Ų | 94.5 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -7.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T610 L612 K618 | T610-G614 PolarHBondContact O-N 3.42Å; L612-G614 PolarHBondContact O-N 3.13Å; G614-K618 WeakPolarHBondContact O-CD 3.42Å; G614-K618 WeakPolarHBondContact O-CG 3.31Å |
| 615 | T | 83 | Confident | 83 | Confident | 80 Ų | 80 | 93.5 Ų | 93.5 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -92.2 | -40.4 | 167.6 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | R611 L612 S613 K618 L619 | R611-T615 WeakPolarHBondContact O-CB 3.27Å; R611-T615 PolarHBondContact O-N 3.42Å; R611-T615 PolarHBondContact O-OG1 2.8Å; L612-T615 CarbonylContact O-C 3.58Å; L612-T615 WeakPolarHBondContact O-CA 3.27Å; L612-T615 WeakPolarHBondContact O-CB 3.42Å; L612-T615 PolarHBondContact O-N 3Å; S613-T615 PolarHBondContact O-N 3.49Å; T615-K618 PolarHBondContact O-N 3.47Å; T615-L619 HydrophobicContact CG2-CD1 4.27Å; T615-L619 WeakPolarHBondContact O-CG 3.48Å; T615-L619 PolarHBondContact O-N 2.76Å |
| 616 | V | 84 | Confident | 83 | Confident | 69 Ų | 69 | 97.2 Ų | 97.2 | 42% | 0.418 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 173.3 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | L612 S613 K618 L619 L620 | L612-V616 WeakPolarHBondContact O-CG2 3.29Å; L612-V616 PolarHBondContact O-N 2.76Å; S613-V616 WeakPolarHBondContact O-CA 3.32Å; S613-V616 PolarHBondContact O-N 3.49Å; V616-K618 VanDerWaalsContact C-N 3.29Å; V616-K618 PolarHBondContact O-N 3.34Å; V616-L619 CarbonylContact O-C 3.58Å; V616-L619 PolarHBondContact O-N 2.72Å; V616-L620 HydrophobicContact CG1-CD1 3.9Å; V616-L620 HydrophobicContact CG1-CG 4.27Å; V616-L620 WeakPolarHBondContact O-CG 3.37Å; V616-L620 PolarHBondContact O-N 2.7Å |
| 617 | D | 85.8 | Confident | 83 | Confident | 98 Ų | 98 | 96.8 Ų | 96.8 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 177.9 | -63.4 | -34 | 0 | 0 | 0 | 111.9 | S613 L620 Q621 | S613-D617 VanDerWaalsContact O-CG 3.29Å; S613-D617 PolarHBondContact O-N 2.95Å; D617-L620 PolarHBondContact O-N 3.01Å; D617-Q621 WeakPolarHBondContact O-CB 3.48Å; D617-Q621 PolarHBondContact O-N 3.1Å |
| 618 | K | 86.4 | Confident | 83.1 | Confident | 150 Ų | 150 | 98.7 Ų | 98.7 | 65% | 0.652 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.1 | -36.4 | 174.8 | -76.5 | 176.6 | -178.7 | 165.6 | 0 | 112.9 | G614 T615 V616 E622 | G614-K618 WeakPolarHBondContact O-CD 3.42Å; G614-K618 WeakPolarHBondContact O-CG 3.31Å; T615-K618 PolarHBondContact O-N 3.47Å; V616-K618 VanDerWaalsContact C-N 3.29Å; V616-K618 PolarHBondContact O-N 3.34Å; K618-E622 WeakPolarHBondContact O-CB 3.46Å; K618-E622 PolarHBondContact O-N 2.98Å |
| 619 | L | 83.3 | Confident | 83.1 | Confident | 105 Ų | 105 | 98.8 Ų | 98.8 | 55% | 0.55 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.2 | -36.1 | 174.8 | -71.4 | 168.5 | 0 | 0 | 0 | 111.6 | T615 V616 S623 | T615-L619 HydrophobicContact CG2-CD1 4.27Å; T615-L619 WeakPolarHBondContact O-CG 3.48Å; T615-L619 PolarHBondContact O-N 2.76Å; V616-L619 CarbonylContact O-C 3.58Å; V616-L619 PolarHBondContact O-N 2.72Å; L619-S623 WeakPolarHBondContact O-CB 3.09Å; L619-S623 PolarHBondContact O-N 3.06Å |
| 620 | L | 83.5 | Confident | 83 | Confident | 96 Ų | 96 | 99.5 Ų | 99.5 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 172.8 | -70.4 | 172.3 | 0 | 0 | 0 | 111.4 | V616 D617 S623 N624 | V616-L620 HydrophobicContact CG1-CD1 3.9Å; V616-L620 HydrophobicContact CG1-CG 4.27Å; V616-L620 WeakPolarHBondContact O-CG 3.37Å; V616-L620 PolarHBondContact O-N 2.7Å; D617-L620 PolarHBondContact O-N 3.01Å; L620-S623 PolarHBondContact O-N 3.12Å; L620-N624 WeakPolarHBondContact O-CB 3.49Å; L620-N624 PolarHBondContact O-N 3.21Å; L620-N624 PolarHBondContact O-ND2 3.4Å |
| 621 | Q | 85.2 | Confident | 82.8 | Confident | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 173.8 | -176.9 | 174.5 | -9.8 | 0 | 0 | 111.5 | D617 S623 N624 E625 | D617-Q621 WeakPolarHBondContact O-CB 3.48Å; D617-Q621 PolarHBondContact O-N 3.1Å; Q621-S623 VanDerWaalsContact C-N 3.27Å; Q621-S623 PolarHBondContact O-N 2.64Å; Q621-N624 PolarHBondContact O-N 3.34Å; Q621-E625 HydrophobicContact CG-CG 4.38Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.48Å; Q621-E625 PolarHBondContact NE2-OE1 2.7Å; Q621-E625 WeakPolarHBondContact O-CB 3.42Å; Q621-E625 WeakPolarHBondContact O-CG 3.45Å; Q621-E625 PolarHBondContact O-N 3.34Å |
| 622 | E | 79.4 | Confident | 82.8 | Confident | 89 Ų | 89 | 98.9 Ų | 98.9 | 42% | 0.416 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -36.4 | 177.4 | -166.3 | -174.5 | 162.2 | 0 | 0 | 111.5 | K618 R626 | K618-E622 WeakPolarHBondContact O-CB 3.46Å; K618-E622 PolarHBondContact O-N 2.98Å; E622-R626 WeakPolarHBondContact O-CB 3.19Å; E622-R626 WeakPolarHBondContact O-CG 3.43Å; E622-R626 PolarHBondContact O-N 3.47Å; E622-R626 IonicContact OE1-CZ 3.98Å; E622-R626 VanDerWaalsContact OE1-CZ 3.22Å; E622-R626 IonicContact OE1-NE 2.6Å; E622-R626 PolarHBondContact OE1-NE 2.71Å; E622-R626 VanDerWaalsContact OE1-NE 3.13Å; E622-R626 IonicContact OE1-NH2 3.64Å; E622-R626 PolarHBondContact OE1-NH2 2.72Å |
| 623 | S | 79.1 | Confident | 82.8 | Confident | 68 Ų | 68 | 101.3 Ų | 101.3 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 174.2 | -171.9 | 0 | 0 | 0 | 0 | 111.9 | L619 L620 Q621 R626 L627 | L619-S623 WeakPolarHBondContact O-CB 3.09Å; L619-S623 PolarHBondContact O-N 3.06Å; L620-S623 PolarHBondContact O-N 3.12Å; Q621-S623 VanDerWaalsContact C-N 3.27Å; Q621-S623 PolarHBondContact O-N 2.64Å; S623-R626 PolarHBondContact O-N 3.5Å; S623-L627 WeakPolarHBondContact O-CB 3.39Å; S623-L627 PolarHBondContact O-N 3.04Å |
| 624 | N | 81.8 | Confident | 82.6 | Confident | 95 Ų | 95 | 105.6 Ų | 105.6 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | 178.4 | -77.1 | -21 | 0 | 0 | 0 | 112.1 | L620 Q621 R626 L627 Q628 | L620-N624 WeakPolarHBondContact O-CB 3.49Å; L620-N624 PolarHBondContact O-N 3.21Å; L620-N624 PolarHBondContact O-ND2 3.4Å; Q621-N624 PolarHBondContact O-N 3.34Å; N624-R626 VanDerWaalsContact C-N 3.35Å; N624-R626 PolarHBondContact O-N 2.91Å; N624-L627 PolarHBondContact O-N 3.48Å; N624-Q628 WeakPolarHBondContact O-CB 3.08Å; N624-Q628 WeakPolarHBondContact O-CG 3.16Å; N624-Q628 PolarHBondContact O-N 3.38Å |
| 625 | E | 82.9 | Confident | 82.3 | Confident | 91 Ų | 91 | 108.7 Ų | 108.7 | 43% | 0.425 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 174.2 | -73.4 | 178.2 | -163.8 | 0 | 0 | 111.2 | Q621 Q628 N629 | Q621-E625 HydrophobicContact CG-CG 4.38Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.48Å; Q621-E625 PolarHBondContact NE2-OE1 2.7Å; Q621-E625 WeakPolarHBondContact O-CB 3.42Å; Q621-E625 WeakPolarHBondContact O-CG 3.45Å; Q621-E625 PolarHBondContact O-N 3.34Å; E625-Q628 PolarHBondContact O-N 3.09Å; E625-N629 WeakPolarHBondContact O-CB 3.49Å; E625-N629 PolarHBondContact O-N 3.31Å; E625-N629 PolarHBondContact O-ND2 3.22Å |
| 626 | R | 81.5 | Confident | 82.2 | Confident | 167 Ų | 167 | 107.3 Ų | 107.3 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.9 | -41.9 | 172.4 | -75.5 | 171.9 | -179.1 | -149.8 | 4.1 | 112.2 | E622 S623 N624 N629 H630 | E622-R626 WeakPolarHBondContact O-CB 3.19Å; E622-R626 WeakPolarHBondContact O-CG 3.43Å; E622-R626 PolarHBondContact O-N 3.47Å; E622-R626 IonicContact OE1-CZ 3.98Å; E622-R626 VanDerWaalsContact OE1-CZ 3.22Å; E622-R626 IonicContact OE1-NE 2.6Å; E622-R626 PolarHBondContact OE1-NE 2.71Å; E622-R626 VanDerWaalsContact OE1-NE 3.13Å; E622-R626 IonicContact OE1-NH2 3.64Å; E622-R626 PolarHBondContact OE1-NH2 2.72Å; S623-R626 PolarHBondContact O-N 3.5Å; N624-R626 VanDerWaalsContact C-N 3.35Å; N624-R626 PolarHBondContact O-N 2.91Å; R626-N629 PolarHBondContact O-N 3.39Å; R626-H630 WeakPolarHBondContact O-CB 3.49Å; R626-H630 PolarHBondContact O-N 3.04Å |
| 627 | L | 85 | Confident | 81.9 | Confident | 109 Ų | 109 | 106.5 Ų | 106.5 | 57% | 0.571 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.5 | -43.3 | 178 | -176.5 | 62.4 | 0 | 0 | 0 | 111.7 | S623 N624 H630 L631 | S623-L627 WeakPolarHBondContact O-CB 3.39Å; S623-L627 PolarHBondContact O-N 3.04Å; N624-L627 PolarHBondContact O-N 3.48Å; L627-H630 PolarHBondContact O-N 2.91Å; L627-L631 WeakPolarHBondContact O-CB 3.36Å; L627-L631 PolarHBondContact O-N 2.92Å |
| 628 | Q | 82.9 | Confident | 81.4 | Confident | 135 Ų | 135 | 106.5 Ų | 106.5 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -45.5 | 175.4 | -74.7 | 179.4 | -7.1 | 0 | 0 | 112 | N624 E625 L631 Q632 | N624-Q628 WeakPolarHBondContact O-CB 3.08Å; N624-Q628 WeakPolarHBondContact O-CG 3.16Å; N624-Q628 PolarHBondContact O-N 3.38Å; E625-Q628 PolarHBondContact O-N 3.09Å; Q628-L631 PolarHBondContact O-N 2.82Å; Q628-Q632 WeakPolarHBondContact O-CB 3.29Å; Q628-Q632 PolarHBondContact O-N 3.04Å |
| 629 | N | 83.6 | Confident | 81.1 | Confident | 102 Ų | 102 | 105.6 Ų | 105.6 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.8 | -78.5 | -69 | 0 | 0 | 0 | 111.6 | E625 R626 L631 Q632 E633 | E625-N629 WeakPolarHBondContact O-CB 3.49Å; E625-N629 PolarHBondContact O-N 3.31Å; E625-N629 PolarHBondContact O-ND2 3.22Å; R626-N629 PolarHBondContact O-N 3.39Å; N629-L631 VanDerWaalsContact C-N 3.33Å; N629-L631 PolarHBondContact O-N 3.41Å; N629-Q632 PolarHBondContact O-N 3.02Å; N629-E633 WeakPolarHBondContact O-CG 3.38Å; N629-E633 PolarHBondContact O-N 3.23Å |
| 630 | H | 80.6 | Confident | 81 | Confident | 101 Ų | 101 | 106.6 Ų | 106.6 | 47% | 0.468 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 177.3 | -175.4 | -105.4 | 0 | 0 | 0 | 112.7 | R626 L627 R634 | R626-H630 WeakPolarHBondContact O-CB 3.49Å; R626-H630 PolarHBondContact O-N 3.04Å; L627-H630 PolarHBondContact O-N 2.91Å; H630-R634 VanDerWaalsContact O-CB 3.31Å; H630-R634 WeakPolarHBondContact O-CB 3.41Å; H630-R634 PolarHBondContact O-N 3.27Å |
| 631 | L | 81 | Confident | 80.9 | Confident | 106 Ų | 106 | 108.1 Ų | 108.1 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67 | -43.5 | 173.9 | -166.8 | 72.4 | 0 | 0 | 0 | 111.4 | L627 Q628 N629 R634 M635 | L627-L631 WeakPolarHBondContact O-CB 3.36Å; L627-L631 PolarHBondContact O-N 2.92Å; Q628-L631 PolarHBondContact O-N 2.82Å; N629-L631 VanDerWaalsContact C-N 3.33Å; N629-L631 PolarHBondContact O-N 3.41Å; L631-R634 PolarHBondContact O-N 3.12Å; L631-M635 WeakPolarHBondContact O-CG 3.46Å; L631-M635 PolarHBondContact O-N 3.42Å |
| 632 | Q | 83.4 | Confident | 80.7 | Confident | 123 Ų | 123 | 109 Ų | 109 | 58% | 0.575 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 177.5 | -172.6 | 65 | 17.1 | 0 | 0 | 112.1 | Q628 N629 R634 M635 S636 | Q628-Q632 WeakPolarHBondContact O-CB 3.29Å; Q628-Q632 PolarHBondContact O-N 3.04Å; N629-Q632 PolarHBondContact O-N 3.02Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; Q632-M635 PolarHBondContact O-N 3.4Å; Q632-S636 PolarHBondContact O-N 2.9Å |
| 633 | E | 80.9 | Confident | 81 | Confident | 139 Ų | 139 | 109.1 Ų | 109.1 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.8 | -40.3 | 172.5 | -73.5 | -176.6 | 169.4 | 0 | 0 | 111.4 | N629 S636 A637 | N629-E633 WeakPolarHBondContact O-CG 3.38Å; N629-E633 PolarHBondContact O-N 3.23Å; E633-S636 PolarHBondContact O-N 3.44Å; E633-A637 WeakPolarHBondContact O-CB 3.4Å; E633-A637 PolarHBondContact O-N 2.98Å |
| 634 | R | 78.3 | Confident | 80.9 | Confident | 149 Ų | 149 | 109.5 Ų | 109.5 | 56% | 0.562 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -39.9 | 175 | -174.6 | 174.2 | 175.9 | 126.9 | -5.1 | 112.5 | H630 L631 Q632 A637 L638 | H630-R634 VanDerWaalsContact O-CB 3.31Å; H630-R634 WeakPolarHBondContact O-CB 3.41Å; H630-R634 PolarHBondContact O-N 3.27Å; L631-R634 PolarHBondContact O-N 3.12Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; R634-A637 PolarHBondContact O-N 2.81Å; R634-L638 HydrophobicContact CG-CD1 4.3Å; R634-L638 VanDerWaalsContact O-CG 3.29Å; R634-L638 WeakPolarHBondContact O-CG 3.37Å; R634-L638 PolarHBondContact O-N 3.39Å |
| 635 | M | 77 | Confident | 80.8 | Confident | 97 Ų | 97 | 108.5 Ų | 108.5 | 48% | 0.478 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -48.6 | 174.3 | -62.8 | -145.8 | -54.5 | 0 | 0 | 111.3 | L631 Q632 A637 L638 E639 | L631-M635 WeakPolarHBondContact O-CG 3.46Å; L631-M635 PolarHBondContact O-N 3.42Å; Q632-M635 PolarHBondContact O-N 3.4Å; M635-A637 PolarHBondContact O-N 3.27Å; M635-L638 PolarHBondContact O-N 3.13Å; M635-E639 PolarHBondContact O-N 2.71Å |
| 636 | S | 80.8 | Confident | 80.7 | Confident | 50 Ų | 50 | 109.1 Ų | 109.1 | 35% | 0.35 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.1 | -32.6 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 112.8 | Q632 E633 Q640 | Q632-S636 PolarHBondContact O-N 2.9Å; E633-S636 PolarHBondContact O-N 3.44Å; S636-Q640 WeakPolarHBondContact O-CG 3.41Å; S636-Q640 PolarHBondContact O-N 3.29Å |
| 637 | A | 77 | Confident | 80.7 | Confident | 53 Ų | 53 | 105.2 Ų | 105.2 | 44% | 0.438 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.9 | -34.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E633 R634 M635 K641 | E633-A637 WeakPolarHBondContact O-CB 3.4Å; E633-A637 PolarHBondContact O-N 2.98Å; R634-A637 PolarHBondContact O-N 2.81Å; M635-A637 PolarHBondContact O-N 3.27Å; A637-K641 WeakPolarHBondContact O-CB 3.27Å; A637-K641 PolarHBondContact O-N 2.83Å |
| 638 | L | 76.8 | Confident | 80.4 | Confident | 97 Ų | 97 | 103.7 Ų | 103.7 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 175 | -73.4 | 167.5 | 0 | 0 | 0 | 112 | R634 M635 K641 Q642 | R634-L638 HydrophobicContact CG-CD1 4.3Å; R634-L638 VanDerWaalsContact O-CG 3.29Å; R634-L638 WeakPolarHBondContact O-CG 3.37Å; R634-L638 PolarHBondContact O-N 3.39Å; M635-L638 PolarHBondContact O-N 3.13Å; L638-K641 PolarHBondContact O-N 2.94Å; L638-Q642 PolarHBondContact O-N 2.99Å |
| 639 | E | 79.9 | Confident | 80.1 | Confident | 131 Ų | 131 | 100.6 Ų | 100.6 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.6 | -45.1 | 172.4 | -69.8 | 176.1 | 167.2 | 0 | 0 | 111.6 | M635 Q642 N643 | M635-E639 PolarHBondContact O-N 2.71Å; E639-Q642 PolarHBondContact O-N 3.34Å; E639-N643 WeakPolarHBondContact O-CB 3.41Å; E639-N643 PolarHBondContact O-N 2.98Å |
| 640 | Q | 80.4 | Confident | 80 | Confident | 126 Ų | 126 | 102.5 Ų | 102.5 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -41.7 | 174.9 | -75.9 | -178.5 | 0.7 | 0 | 0 | 112 | S636 Q642 N643 L644 | S636-Q640 WeakPolarHBondContact O-CG 3.41Å; S636-Q640 PolarHBondContact O-N 3.29Å; Q640-Q642 PolarHBondContact O-N 3.36Å; Q640-N643 PolarHBondContact O-N 3.42Å; Q640-L644 WeakPolarHBondContact O-CB 2.94Å; Q640-L644 VanDerWaalsContact O-CG 3.31Å; Q640-L644 WeakPolarHBondContact O-CG 3.38Å; Q640-L644 PolarHBondContact O-N 2.92Å |
| 641 | K | 81.1 | Confident | 79.9 | Confident | 129 Ų | 129 | 100.2 Ų | 100.2 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -42.7 | 174.4 | -175.8 | -176.4 | 176.8 | -174.7 | 0 | 111.7 | A637 L638 L644 S645 | A637-K641 WeakPolarHBondContact O-CB 3.27Å; A637-K641 PolarHBondContact O-N 2.83Å; L638-K641 PolarHBondContact O-N 2.94Å; K641-L644 PolarHBondContact O-N 3.43Å; K641-S645 WeakPolarHBondContact O-CB 3.32Å; K641-S645 PolarHBondContact O-N 2.88Å |
| 642 | Q | 81.9 | Confident | 79.9 | Confident | 131 Ų | 131 | 100.2 Ų | 100.2 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.5 | -44.1 | 178.1 | -171 | 178.8 | 8.2 | 0 | 0 | 111.5 | L638 E639 Q640 S645 N646 | L638-Q642 PolarHBondContact O-N 2.99Å; E639-Q642 PolarHBondContact O-N 3.34Å; Q640-Q642 PolarHBondContact O-N 3.36Å; Q642-S645 PolarHBondContact O-N 3.43Å; Q642-N646 PolarHBondContact O-N 2.95Å |
| 643 | N | 84.7 | Confident | 79.8 | Confident | 92 Ų | 92 | 101.5 Ų | 101.5 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -45.9 | 176.7 | -167.3 | -14.4 | 0 | 0 | 0 | 111.7 | E639 Q640 S645 N646 Q647 | E639-N643 WeakPolarHBondContact O-CB 3.41Å; E639-N643 PolarHBondContact O-N 2.98Å; Q640-N643 PolarHBondContact O-N 3.42Å; N643-S645 VanDerWaalsContact C-N 3.35Å; N643-S645 PolarHBondContact O-N 3.33Å; N643-N646 PolarHBondContact O-N 3Å; N643-Q647 WeakPolarHBondContact O-CG 3.5Å; N643-Q647 PolarHBondContact O-N 2.76Å; N643-Q647 PolarHBondContact OD1-NE2 2.76Å |
| 644 | L | 76.4 | Confident | 79.8 | Confident | 76 Ų | 76 | 97.5 Ų | 97.5 | 40% | 0.398 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 174.4 | -72.2 | 170.1 | 0 | 0 | 0 | 112.1 | Q640 K641 N646 Q647 V648 | Q640-L644 WeakPolarHBondContact O-CB 2.94Å; Q640-L644 VanDerWaalsContact O-CG 3.31Å; Q640-L644 WeakPolarHBondContact O-CG 3.38Å; Q640-L644 PolarHBondContact O-N 2.92Å; K641-L644 PolarHBondContact O-N 3.43Å; L644-N646 VanDerWaalsContact C-N 3.33Å; L644-N646 PolarHBondContact O-N 3.12Å; L644-Q647 PolarHBondContact O-N 3.4Å; L644-V648 WeakPolarHBondContact O-CB 3.43Å; L644-V648 VanDerWaalsContact O-CG2 3.31Å; L644-V648 WeakPolarHBondContact O-CG2 3.41Å; L644-V648 PolarHBondContact O-N 3Å |
| 645 | S | 79.8 | Confident | 79.7 | Confident | 75 Ų | 75 | 93.1 Ų | 93.1 | 52% | 0.524 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 175.7 | -166.3 | 0 | 0 | 0 | 0 | 112.2 | K641 Q642 N643 V648 E649 | K641-S645 WeakPolarHBondContact O-CB 3.32Å; K641-S645 PolarHBondContact O-N 2.88Å; Q642-S645 PolarHBondContact O-N 3.43Å; N643-S645 VanDerWaalsContact C-N 3.35Å; N643-S645 PolarHBondContact O-N 3.33Å; S645-V648 PolarHBondContact O-N 2.99Å; S645-E649 WeakPolarHBondContact O-CB 3.33Å; S645-E649 PolarHBondContact O-N 2.86Å |
| 646 | N | 82.3 | Confident | 79.7 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.7 | -40.2 | 175.5 | -69.7 | -14.8 | 0 | 0 | 0 | 111.8 | Q642 N643 L644 E649 Q650 | Q642-N646 PolarHBondContact O-N 2.95Å; N643-N646 PolarHBondContact O-N 3Å; L644-N646 VanDerWaalsContact C-N 3.33Å; L644-N646 PolarHBondContact O-N 3.12Å; N646-E649 PolarHBondContact O-N 3.23Å; N646-Q650 WeakPolarHBondContact O-CB 3.31Å; N646-Q650 PolarHBondContact O-N 3.31Å |
| 647 | Q | 81.6 | Confident | 79.7 | Confident | 86 Ų | 86 | 93.2 Ų | 93.2 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 175.7 | -69.9 | 176.4 | 44.5 | 0 | 0 | 112.2 | N643 L644 Q650 I651 | N643-Q647 WeakPolarHBondContact O-CG 3.5Å; N643-Q647 PolarHBondContact O-N 2.76Å; N643-Q647 PolarHBondContact OD1-NE2 2.76Å; L644-Q647 PolarHBondContact O-N 3.4Å; Q647-Q650 PolarHBondContact O-N 2.98Å; Q647-I651 WeakPolarHBondContact O-CB 3.24Å; Q647-I651 VanDerWaalsContact O-CG1 3.24Å; Q647-I651 WeakPolarHBondContact O-CG1 3.44Å; Q647-I651 PolarHBondContact O-N 3.32Å |
| 648 | V | 77.2 | Confident | 79.7 | Confident | 76 Ų | 76 | 93.1 Ų | 93.1 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.2 | 167.8 | 0 | 0 | 0 | 0 | 111 | L644 S645 Q650 I651 K652 | L644-V648 WeakPolarHBondContact O-CB 3.43Å; L644-V648 VanDerWaalsContact O-CG2 3.31Å; L644-V648 WeakPolarHBondContact O-CG2 3.41Å; L644-V648 PolarHBondContact O-N 3Å; S645-V648 PolarHBondContact O-N 2.99Å; V648-Q650 PolarHBondContact O-N 3.05Å; V648-I651 PolarHBondContact O-N 2.92Å; V648-K652 VanDerWaalsContact O-CB 3.26Å; V648-K652 WeakPolarHBondContact O-CB 3.44Å; V648-K652 PolarHBondContact O-N 3.27Å |
| 649 | E | 77 | Confident | 79.8 | Confident | 70 Ų | 70 | 92.2 Ų | 92.2 | 33% | 0.327 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 176.5 | 178.3 | 61.3 | -170.1 | 0 | 0 | 112.1 | S645 N646 R653 | S645-E649 WeakPolarHBondContact O-CB 3.33Å; S645-E649 PolarHBondContact O-N 2.86Å; N646-E649 PolarHBondContact O-N 3.23Å; E649-R653 WeakPolarHBondContact O-CG 3.37Å; E649-R653 PolarHBondContact O-N 2.84Å; E649-R653 IonicContact OE1-CZ 3.72Å; E649-R653 IonicContact OE1-NE 3.74Å; E649-R653 PolarHBondContact OE1-NE 3.35Å; E649-R653 IonicContact OE1-NH2 2.71Å; E649-R653 PolarHBondContact OE1-NH2 3Å |
| 650 | Q | 82.3 | Confident | 79.8 | Confident | 143 Ų | 143 | 93.2 Ų | 93.2 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.1 | -45.2 | 174.3 | -171.7 | 177.8 | 13.6 | 0 | 0 | 112.2 | N646 Q647 V648 R653 A654 | N646-Q650 WeakPolarHBondContact O-CB 3.31Å; N646-Q650 PolarHBondContact O-N 3.31Å; Q647-Q650 PolarHBondContact O-N 2.98Å; V648-Q650 PolarHBondContact O-N 3.05Å; Q650-R653 PolarHBondContact O-N 3.19Å; Q650-A654 WeakPolarHBondContact O-CB 3.36Å; Q650-A654 PolarHBondContact O-N 2.87Å |
| 651 | I | 79 | Confident | 79.8 | Confident | 53 Ų | 53 | 93.1 Ų | 93.1 | 27% | 0.272 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 177.7 | -70.9 | 169.2 | 0 | 0 | 0 | 110.8 | L394 Q647 V648 A654 L655 | L394-I651 HydrophobicContact CD1-CD1 3.64Å; Q647-I651 WeakPolarHBondContact O-CB 3.24Å; Q647-I651 VanDerWaalsContact O-CG1 3.24Å; Q647-I651 WeakPolarHBondContact O-CG1 3.44Å; Q647-I651 PolarHBondContact O-N 3.32Å; V648-I651 PolarHBondContact O-N 2.92Å; I651-A654 PolarHBondContact O-N 2.84Å; I651-L655 WeakPolarHBondContact O-CB 3.46Å; I651-L655 PolarHBondContact O-N 3.39Å |
| 652 | K | 79.3 | Confident | 79.6 | Confident | 105 Ų | 105 | 92.6 Ų | 92.6 | 46% | 0.457 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 175.4 | -179.4 | -175.2 | 166.9 | -163.4 | 0 | 111.5 | V648 A654 L655 E656 | V648-K652 VanDerWaalsContact O-CB 3.26Å; V648-K652 WeakPolarHBondContact O-CB 3.44Å; V648-K652 PolarHBondContact O-N 3.27Å; K652-A654 VanDerWaalsContact C-N 3.34Å; K652-A654 PolarHBondContact O-N 2.83Å; K652-L655 WeakPolarHBondContact O-CB 3.38Å; K652-L655 PolarHBondContact O-N 3.16Å; K652-E656 WeakPolarHBondContact CE-OE1 3.41Å; K652-E656 WeakPolarHBondContact O-CG 3.31Å; K652-E656 PolarHBondContact O-N 3.45Å |
| 653 | R | 82.7 | Confident | 79.4 | Confident | 150 Ų | 150 | 91.9 Ų | 91.9 | 57% | 0.566 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.8 | -41.7 | 175.9 | -69.5 | 174.4 | -167.3 | -175.4 | 6.3 | 112.2 | E649 Q650 L655 E656 T657 | E649-R653 WeakPolarHBondContact O-CG 3.37Å; E649-R653 PolarHBondContact O-N 2.84Å; E649-R653 IonicContact OE1-CZ 3.72Å; E649-R653 IonicContact OE1-NE 3.74Å; E649-R653 PolarHBondContact OE1-NE 3.35Å; E649-R653 IonicContact OE1-NH2 2.71Å; E649-R653 PolarHBondContact OE1-NH2 3Å; Q650-R653 PolarHBondContact O-N 3.19Å; R653-L655 VanDerWaalsContact C-N 3.34Å; R653-L655 PolarHBondContact O-N 2.94Å; R653-E656 PolarHBondContact O-N 3.34Å; R653-T657 PolarHBondContact O-N 3.33Å; R653-T657 PolarHBondContact O-OG1 3.42Å; R653-T657 VanDerWaalsContact O-OG1 3.13Å |
| 654 | A | 81.1 | Confident | 79.2 | Confident | 55 Ų | 55 | 90 Ų | 90 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q650 I651 K652 T657 A658 | Q650-A654 WeakPolarHBondContact O-CB 3.36Å; Q650-A654 PolarHBondContact O-N 2.87Å; I651-A654 PolarHBondContact O-N 2.84Å; K652-A654 VanDerWaalsContact C-N 3.34Å; K652-A654 PolarHBondContact O-N 2.83Å; A654-T657 WeakPolarHBondContact CA-OG1 3.36Å; A654-T657 PolarHBondContact O-N 3.08Å; A654-T657 PolarHBondContact O-OG1 2.82Å; A654-A658 WeakPolarHBondContact O-CB 3.26Å; A654-A658 PolarHBondContact O-N 3.18Å |
| 655 | L | 74.5 | Confident | 79.4 | Confident | 57 Ų | 57 | 91 Ų | 91 | 30% | 0.298 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67 | -42 | 173.9 | -174.8 | 67.1 | 0 | 0 | 0 | 111.7 | I391 I651 K652 R653 T657 A658 I659 | I391-L655 HydrophobicContact CD1-CD1 4.22Å; I391-L655 HydrophobicContact CD1-CD2 3.82Å; I651-L655 WeakPolarHBondContact O-CB 3.46Å; I651-L655 PolarHBondContact O-N 3.39Å; K652-L655 WeakPolarHBondContact O-CB 3.38Å; K652-L655 PolarHBondContact O-N 3.16Å; R653-L655 VanDerWaalsContact C-N 3.34Å; R653-L655 PolarHBondContact O-N 2.94Å; L655-T657 VanDerWaalsContact C-N 3.29Å; L655-T657 PolarHBondContact O-N 3.41Å; L655-A658 PolarHBondContact O-N 3.01Å; L655-I659 HydrophobicContact CD1-CD1 4.33Å; L655-I659 HydrophobicContact CD1-CG1 4.45Å; L655-I659 HydrophobicContact CG-CD1 3.92Å; L655-I659 HydrophobicContact CG-CG1 4.44Å; L655-I659 WeakPolarHBondContact O-CB 3.44Å; L655-I659 VanDerWaalsContact O-CG1 3.31Å; L655-I659 WeakPolarHBondContact O-CG1 3.22Å; L655-I659 PolarHBondContact O-N 2.66Å |
| 656 | E | 78 | Confident | 79.3 | Confident | 89 Ų | 89 | 91.1 Ų | 91.1 | 42% | 0.416 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -28.9 | 175.9 | -73.9 | 173.2 | -173.1 | 0 | 0 | 113 | K652 R653 R660 | K652-E656 WeakPolarHBondContact CE-OE1 3.41Å; K652-E656 WeakPolarHBondContact O-CG 3.31Å; K652-E656 PolarHBondContact O-N 3.45Å; R653-E656 PolarHBondContact O-N 3.34Å; E656-R660 PolarHBondContact O-NE 3.33Å; E656-R660 PolarHBondContact O-NH2 3.31Å |
| 657 | T | 80.9 | Confident | 79.2 | Confident | 61 Ų | 61 | 90.8 Ų | 90.8 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.7 | -48.2 | 166.4 | 35.8 | 0 | 0 | 0 | 0 | 112.2 | R653 A654 L655 I659 R660 E661 | R653-T657 PolarHBondContact O-N 3.33Å; R653-T657 PolarHBondContact O-OG1 3.42Å; R653-T657 VanDerWaalsContact O-OG1 3.13Å; A654-T657 WeakPolarHBondContact CA-OG1 3.36Å; A654-T657 PolarHBondContact O-N 3.08Å; A654-T657 PolarHBondContact O-OG1 2.82Å; L655-T657 VanDerWaalsContact C-N 3.29Å; L655-T657 PolarHBondContact O-N 3.41Å; T657-I659 VanDerWaalsContact C-N 3.29Å; T657-I659 PolarHBondContact O-N 2.88Å; T657-R660 PolarHBondContact O-N 3.47Å; T657-R660 VanDerWaalsContact O-N 3.12Å; T657-E661 PolarHBondContact O-N 3.2Å |
| 658 | A | 77.2 | Confident | 79.2 | Confident | 50 Ų | 50 | 92.2 Ų | 92.2 | 41% | 0.413 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.9 | -33.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A654 L655 R662 | A654-A658 WeakPolarHBondContact O-CB 3.26Å; A654-A658 PolarHBondContact O-N 3.18Å; L655-A658 PolarHBondContact O-N 3.01Å; A658-R662 VanDerWaalsContact O-CB 3.24Å; A658-R662 WeakPolarHBondContact O-CB 3.42Å; A658-R662 PolarHBondContact O-N 2.86Å |
| 659 | I | 78.2 | Confident | 79 | Confident | 79 Ų | 79 | 90.4 Ų | 90.4 | 41% | 0.405 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65 | -48 | 173.2 | -71.3 | 168.4 | 0 | 0 | 0 | 110.6 | L655 T657 E661 R662 E663 | L655-I659 HydrophobicContact CD1-CD1 4.33Å; L655-I659 HydrophobicContact CD1-CG1 4.45Å; L655-I659 HydrophobicContact CG-CD1 3.92Å; L655-I659 HydrophobicContact CG-CG1 4.44Å; L655-I659 WeakPolarHBondContact O-CB 3.44Å; L655-I659 VanDerWaalsContact O-CG1 3.31Å; L655-I659 WeakPolarHBondContact O-CG1 3.22Å; L655-I659 PolarHBondContact O-N 2.66Å; T657-I659 VanDerWaalsContact C-N 3.29Å; T657-I659 PolarHBondContact O-N 2.88Å; I659-E661 PolarHBondContact O-N 2.86Å; I659-R662 WeakPolarHBondContact O-CB 3.4Å; I659-R662 PolarHBondContact O-N 2.97Å; I659-R662 VanDerWaalsContact O-N 3.15Å; I659-E663 HydrophobicContact CG2-CG 4.39Å; I659-E663 WeakPolarHBondContact O-CG 3.34Å; I659-E663 PolarHBondContact O-N 3.4Å |
| 660 | R | 80.5 | Confident | 78.9 | Confident | 151 Ų | 151 | 92.8 Ų | 92.8 | 57% | 0.57 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 178.5 | -77.7 | 177.5 | -75.8 | 156.1 | -7.7 | 112.5 | E656 T657 E663 A664 | E656-R660 PolarHBondContact O-NE 3.33Å; E656-R660 PolarHBondContact O-NH2 3.31Å; T657-R660 PolarHBondContact O-N 3.47Å; T657-R660 VanDerWaalsContact O-N 3.12Å; R660-E663 PolarHBondContact O-N 3.49Å; R660-A664 WeakPolarHBondContact O-CB 3.34Å; R660-A664 PolarHBondContact O-N 3.2Å |
| 661 | E | 80.6 | Confident | 78.8 | Confident | 125 Ų | 125 | 90 Ų | 90 | 58% | 0.584 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 174.1 | -70.7 | 176.8 | -172.8 | 0 | 0 | 111.7 | T657 I659 A664 N665 | T657-E661 PolarHBondContact O-N 3.2Å; I659-E661 PolarHBondContact O-N 2.86Å; E661-A664 PolarHBondContact O-N 3.45Å; E661-N665 WeakPolarHBondContact O-CB 3.34Å; E661-N665 PolarHBondContact O-N 3.49Å; E661-N665 PolarHBondContact O-ND2 3.15Å |
| 662 | R | 75.4 | Confident | 78.9 | Confident | 117 Ų | 117 | 92 Ų | 92 | 44% | 0.442 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176 | -171.6 | -177.7 | -173.8 | -146.6 | 5.3 | 112.2 | L384 A658 I659 N665 I666 | L384-R662 VanDerWaalsContact CD2-CZ 3.42Å; A658-R662 VanDerWaalsContact O-CB 3.24Å; A658-R662 WeakPolarHBondContact O-CB 3.42Å; A658-R662 PolarHBondContact O-N 2.86Å; I659-R662 WeakPolarHBondContact O-CB 3.4Å; I659-R662 PolarHBondContact O-N 2.97Å; I659-R662 VanDerWaalsContact O-N 3.15Å; R662-N665 PolarHBondContact O-N 3.46Å; R662-I666 HydrophobicContact CG-CD1 4.01Å; R662-I666 WeakPolarHBondContact O-CB 3.43Å; R662-I666 VanDerWaalsContact O-CG1 3.23Å; R662-I666 WeakPolarHBondContact O-CG1 3.37Å; R662-I666 PolarHBondContact O-N 3.28Å |
| 663 | E | 79.3 | Confident | 78.7 | Confident | 116 Ų | 116 | 94.1 Ų | 94.1 | 54% | 0.542 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.6 | -73.5 | 175.5 | 158.2 | 0 | 0 | 111.2 | I659 R660 N665 I666 T667 | I659-E663 HydrophobicContact CG2-CG 4.39Å; I659-E663 WeakPolarHBondContact O-CG 3.34Å; I659-E663 PolarHBondContact O-N 3.4Å; R660-E663 PolarHBondContact O-N 3.49Å; E663-N665 PolarHBondContact O-N 2.83Å; E663-I666 PolarHBondContact O-N 3.37Å; E663-T667 WeakPolarHBondContact O-CG2 3.41Å; E663-T667 PolarHBondContact O-N 3.03Å |
| 664 | A | 79.9 | Confident | 78.5 | Confident | 52 Ų | 52 | 92.3 Ų | 92.3 | 43% | 0.43 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -56 | -51.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | R660 E661 I666 T667 E668 | R660-A664 WeakPolarHBondContact O-CB 3.34Å; R660-A664 PolarHBondContact O-N 3.2Å; E661-A664 PolarHBondContact O-N 3.45Å; A664-I666 VanDerWaalsContact C-N 3.29Å; A664-I666 PolarHBondContact O-N 3.17Å; A664-T667 PolarHBondContact O-N 3.11Å; A664-T667 PolarHBondContact O-OG1 3.18Å; A664-E668 PolarHBondContact O-N 2.98Å |
| 665 | N | 79.7 | Confident | 78.6 | Confident | 99 Ų | 99 | 95.1 Ų | 95.1 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -33.4 | 178.3 | -72.4 | -32.4 | 0 | 0 | 0 | 113 | E661 R662 E663 S669 | E661-N665 WeakPolarHBondContact O-CB 3.34Å; E661-N665 PolarHBondContact O-N 3.49Å; E661-N665 PolarHBondContact O-ND2 3.15Å; R662-N665 PolarHBondContact O-N 3.46Å; E663-N665 PolarHBondContact O-N 2.83Å; N665-S669 WeakPolarHBondContact O-CB 3.18Å; N665-S669 PolarHBondContact O-N 3.44Å |
| 666 | I | 79.1 | Confident | 78.7 | Confident | 77 Ų | 77 | 97.9 Ų | 97.9 | 40% | 0.395 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 172.9 | -74.3 | 165.6 | 0 | 0 | 0 | 110.5 | R662 E663 A664 S669 M670 | R662-I666 HydrophobicContact CG-CD1 4.01Å; R662-I666 WeakPolarHBondContact O-CB 3.43Å; R662-I666 VanDerWaalsContact O-CG1 3.23Å; R662-I666 WeakPolarHBondContact O-CG1 3.37Å; R662-I666 PolarHBondContact O-N 3.28Å; E663-I666 PolarHBondContact O-N 3.37Å; A664-I666 VanDerWaalsContact C-N 3.29Å; A664-I666 PolarHBondContact O-N 3.17Å; I666-S669 CarbonylContact O-C 3.58Å; I666-S669 PolarHBondContact O-N 3.24Å; I666-M670 HydrophobicContact CG2-CG 4.49Å; I666-M670 HydrophobicContact CG2-SD 4.06Å; I666-M670 WeakPolarHBondContact O-CG 3.48Å; I666-M670 PolarHBondContact O-N 3.32Å |
| 667 | T | 79.6 | Confident | 78.7 | Confident | 96 Ų | 96 | 97 Ų | 97 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -42.1 | 178.9 | 64.6 | 0 | 0 | 0 | 0 | 112.5 | E663 A664 S669 M670 L671 | E663-T667 WeakPolarHBondContact O-CG2 3.41Å; E663-T667 PolarHBondContact O-N 3.03Å; A664-T667 PolarHBondContact O-N 3.11Å; A664-T667 PolarHBondContact O-OG1 3.18Å; T667-S669 PolarHBondContact O-N 3.29Å; T667-M670 PolarHBondContact O-N 2.88Å; T667-L671 PolarHBondContact O-N 3.37Å |
| 668 | E | 81.5 | Confident | 78.5 | Confident | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.5 | -170.8 | -177.2 | -168.4 | 0 | 0 | 111.1 | A664 M670 L671 L672 | A664-E668 PolarHBondContact O-N 2.98Å; E668-M670 VanDerWaalsContact C-N 3.26Å; E668-M670 PolarHBondContact O-N 2.98Å; E668-L671 WeakPolarHBondContact O-CB 3.48Å; E668-L671 PolarHBondContact O-N 2.69Å; E668-L672 HydrophobicContact CG-CD1 4.01Å; E668-L672 HydrophobicContact CG-CG 4.39Å; E668-L672 WeakPolarHBondContact O-CB 3.3Å; E668-L672 WeakPolarHBondContact O-CG 3.4Å; E668-L672 PolarHBondContact O-N 3.25Å |
| 669 | S | 73.4 | Confident | 78.8 | Confident | 38 Ų | 38 | 102.3 Ų | 102.3 | 27% | 0.266 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -28.5 | 177 | -172 | 0 | 0 | 0 | 0 | 113.3 | N665 I666 T667 R673 | N665-S669 WeakPolarHBondContact O-CB 3.18Å; N665-S669 PolarHBondContact O-N 3.44Å; I666-S669 CarbonylContact O-C 3.58Å; I666-S669 PolarHBondContact O-N 3.24Å; T667-S669 PolarHBondContact O-N 3.29Å; S669-R673 WeakPolarHBondContact O-CB 3.34Å; S669-R673 WeakPolarHBondContact O-CG 3.33Å; S669-R673 PolarHBondContact O-N 3.03Å; S669-R673 VanDerWaalsContact O-N 3.16Å; S669-R673 PolarHBondContact O-NE 2.95Å; S669-R673 PolarHBondContact OG-NE 3.36Å; S669-R673 PolarHBondContact OG-NH2 3.19Å |
| 670 | M | 75.1 | Confident | 78.8 | Confident | 120 Ų | 120 | 100.1 Ų | 100.1 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.6 | -43.8 | 171.5 | -70.3 | 178.1 | 79 | 0 | 0 | 111.4 | I666 T667 E668 L672 R673 Q674 | I666-M670 HydrophobicContact CG2-CG 4.49Å; I666-M670 HydrophobicContact CG2-SD 4.06Å; I666-M670 WeakPolarHBondContact O-CG 3.48Å; I666-M670 PolarHBondContact O-N 3.32Å; T667-M670 PolarHBondContact O-N 2.88Å; E668-M670 VanDerWaalsContact C-N 3.26Å; E668-M670 PolarHBondContact O-N 2.98Å; M670-L672 VanDerWaalsContact C-N 3.35Å; M670-L672 PolarHBondContact O-N 3.45Å; M670-R673 PolarHBondContact O-N 3.29Å; M670-Q674 PolarHBondContact O-N 3.48Å |
| 671 | L | 79.9 | Confident | 78.5 | Confident | 85 Ų | 85 | 95.1 Ų | 95.1 | 45% | 0.445 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175 | -171.8 | 75.2 | 0 | 0 | 0 | 112.1 | T667 E668 Q674 K675 | T667-L671 PolarHBondContact O-N 3.37Å; E668-L671 WeakPolarHBondContact O-CB 3.48Å; E668-L671 PolarHBondContact O-N 2.69Å; L671-Q674 PolarHBondContact O-N 2.87Å; L671-K675 WeakPolarHBondContact O-CG 3.45Å; L671-K675 PolarHBondContact O-N 2.98Å; L671-K675 VanDerWaalsContact O-N 3.08Å |
| 672 | L | 79.9 | Confident | 78.5 | Confident | 95 Ų | 95 | 91.6 Ų | 91.6 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 174.7 | -75.1 | 167.4 | 0 | 0 | 0 | 111.5 | E668 M670 Q674 K675 L676 | E668-L672 HydrophobicContact CG-CD1 4.01Å; E668-L672 HydrophobicContact CG-CG 4.39Å; E668-L672 WeakPolarHBondContact O-CB 3.3Å; E668-L672 WeakPolarHBondContact O-CG 3.4Å; E668-L672 PolarHBondContact O-N 3.25Å; M670-L672 VanDerWaalsContact C-N 3.35Å; M670-L672 PolarHBondContact O-N 3.45Å; L672-Q674 PolarHBondContact O-N 3.48Å; L672-K675 PolarHBondContact O-N 2.73Å; L672-L676 WeakPolarHBondContact O-CB 3.47Å; L672-L676 PolarHBondContact O-N 3.04Å |
| 673 | R | 76.8 | Confident | 78.6 | Confident | 150 Ų | 150 | 92.6 Ų | 92.6 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.3 | -35.3 | 176.1 | -82.5 | 177.7 | -86.2 | -174.1 | -6 | 112.9 | S669 M670 S677 | S669-R673 WeakPolarHBondContact O-CB 3.34Å; S669-R673 WeakPolarHBondContact O-CG 3.33Å; S669-R673 PolarHBondContact O-N 3.03Å; S669-R673 VanDerWaalsContact O-N 3.16Å; S669-R673 PolarHBondContact O-NE 2.95Å; S669-R673 PolarHBondContact OG-NE 3.36Å; S669-R673 PolarHBondContact OG-NH2 3.19Å; M670-R673 PolarHBondContact O-N 3.29Å; R673-S677 WeakPolarHBondContact O-CB 3.42Å; R673-S677 PolarHBondContact O-N 3.46Å |
| 674 | Q | 78.5 | Confident | 78.2 | Confident | 111 Ų | 111 | 93.8 Ų | 93.8 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.1 | -55 | 171.3 | -180 | -177.7 | -19.2 | 0 | 0 | 111 | M670 L671 L672 L676 S677 E678 | M670-Q674 PolarHBondContact O-N 3.48Å; L671-Q674 PolarHBondContact O-N 2.87Å; L672-Q674 PolarHBondContact O-N 3.48Å; Q674-L676 PolarHBondContact O-N 3.38Å; Q674-S677 WeakPolarHBondContact O-CA 3.43Å; Q674-S677 WeakPolarHBondContact O-CB 3.5Å; Q674-S677 PolarHBondContact O-N 3.35Å; Q674-E678 VanDerWaalsContact CG-OE1 3.3Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.41Å; Q674-E678 PolarHBondContact NE2-OE1 3.39Å; Q674-E678 WeakPolarHBondContact O-CG 3.32Å; Q674-E678 PolarHBondContact O-N 3.13Å |
| 675 | K | 82.7 | Confident | 78 | Confident | 114 Ų | 114 | 98.6 Ų | 98.6 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.2 | -38.4 | 178.8 | -71.1 | 172.3 | 179.2 | 175.9 | 0 | 112.5 | L671 L672 E678 L679 | L671-K675 WeakPolarHBondContact O-CG 3.45Å; L671-K675 PolarHBondContact O-N 2.98Å; L671-K675 VanDerWaalsContact O-N 3.08Å; L672-K675 PolarHBondContact O-N 2.73Å; K675-E678 PolarHBondContact O-N 3.23Å; K675-L679 WeakPolarHBondContact O-CB 3.49Å; K675-L679 PolarHBondContact O-N 3.37Å |
| 676 | L | 76.5 | Confident | 77.9 | Confident | 115 Ų | 115 | 97 Ų | 97 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.6 | -34.4 | 178.2 | -146.2 | 157.5 | 0 | 0 | 0 | 111.7 | L672 Q674 A680 | L672-L676 WeakPolarHBondContact O-CB 3.47Å; L672-L676 PolarHBondContact O-N 3.04Å; Q674-L676 PolarHBondContact O-N 3.38Å; L676-A680 VanDerWaalsContact O-CB 3.23Å; L676-A680 WeakPolarHBondContact O-CB 3.44Å; L676-A680 PolarHBondContact O-N 2.88Å |
| 677 | S | 78.1 | Confident | 77.6 | Confident | 72 Ų | 72 | 99.1 Ų | 99.1 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 171.8 | -169 | 0 | 0 | 0 | 0 | 112.3 | R673 Q674 A680 A681 | R673-S677 WeakPolarHBondContact O-CB 3.42Å; R673-S677 PolarHBondContact O-N 3.46Å; Q674-S677 WeakPolarHBondContact O-CA 3.43Å; Q674-S677 WeakPolarHBondContact O-CB 3.5Å; Q674-S677 PolarHBondContact O-N 3.35Å; S677-A680 PolarHBondContact O-N 2.98Å; S677-A681 WeakPolarHBondContact O-CB 3.46Å; S677-A681 PolarHBondContact O-N 3.36Å |
| 678 | E | 77.1 | Confident | 77.2 | Confident | 103 Ų | 103 | 97 Ų | 97 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -48 | 175.4 | -70.6 | 167 | -175.6 | 0 | 0 | 111.3 | Q674 K675 A680 A681 A682 | Q674-E678 VanDerWaalsContact CG-OE1 3.3Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.41Å; Q674-E678 PolarHBondContact NE2-OE1 3.39Å; Q674-E678 WeakPolarHBondContact O-CG 3.32Å; Q674-E678 PolarHBondContact O-N 3.13Å; K675-E678 PolarHBondContact O-N 3.23Å; E678-A680 VanDerWaalsContact C-N 3.34Å; E678-A680 PolarHBondContact O-N 3.33Å; E678-A681 WeakPolarHBondContact O-CB 3.42Å; E678-A681 PolarHBondContact O-N 3.08Å; E678-A682 PolarHBondContact O-N 3.03Å |
| 679 | L | 82.5 | Confident | 76.9 | Confident | 119 Ų | 119 | 96.2 Ų | 96.2 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.2 | -38.7 | 176.7 | -160.4 | 77.8 | 0 | 0 | 0 | 112 | K675 A682 F683 | K675-L679 WeakPolarHBondContact O-CB 3.49Å; K675-L679 PolarHBondContact O-N 3.37Å; L679-A682 PolarHBondContact O-N 3.47Å; L679-F683 WeakPolarHBondContact O-CB 3.48Å; L679-F683 PolarHBondContact O-N 3.44Å |
| 680 | A | 77.6 | Confident | 77 | Confident | 32 Ų | 32 | 99.6 Ų | 99.6 | 26% | 0.264 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.6 | -31.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L676 S677 E678 R684 | L676-A680 VanDerWaalsContact O-CB 3.23Å; L676-A680 WeakPolarHBondContact O-CB 3.44Å; L676-A680 PolarHBondContact O-N 2.88Å; S677-A680 PolarHBondContact O-N 2.98Å; E678-A680 VanDerWaalsContact C-N 3.34Å; E678-A680 PolarHBondContact O-N 3.33Å; A680-R684 WeakPolarHBondContact O-CG 3.34Å; A680-R684 PolarHBondContact O-N 3.48Å; A680-R684 PolarHBondContact O-NH1 3.24Å |
| 681 | A | 76.3 | Confident | 76.8 | Confident | 46 Ų | 46 | 96.4 Ų | 96.4 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68 | -44.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S677 E678 F683 R684 Y685 | S677-A681 WeakPolarHBondContact O-CB 3.46Å; S677-A681 PolarHBondContact O-N 3.36Å; E678-A681 WeakPolarHBondContact O-CB 3.42Å; E678-A681 PolarHBondContact O-N 3.08Å; A681-F683 PolarHBondContact O-N 2.97Å; A681-R684 PolarHBondContact O-N 3.49Å; A681-Y685 WeakPolarHBondContact O-CB 3.49Å; A681-Y685 PolarHBondContact O-N 2.92Å |
| 682 | A | 80.1 | Confident | 76.4 | Confident | 51 Ų | 51 | 97.8 Ų | 97.8 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E678 L679 R684 Y685 S686 | E678-A682 PolarHBondContact O-N 3.03Å; L679-A682 PolarHBondContact O-N 3.47Å; A682-R684 PolarHBondContact O-N 2.94Å; A682-Y685 WeakPolarHBondContact O-CB 3.46Å; A682-Y685 PolarHBondContact O-N 3.26Å; A682-S686 PolarHBondContact O-N 2.99Å; A682-S686 PolarHBondContact O-OG 3.42Å |
| 683 | F | 77.2 | Confident | 76.1 | Confident | 138 Ų | 138 | 95.5 Ų | 95.5 | 61% | 0.605 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 177 | -175 | -91.1 | 0 | 0 | 0 | 112.5 | L679 A681 Y685 S686 Q687 | L679-F683 WeakPolarHBondContact O-CB 3.48Å; L679-F683 PolarHBondContact O-N 3.44Å; A681-F683 PolarHBondContact O-N 2.97Å; F683-Y685 VanDerWaalsContact C-N 3.29Å; F683-Y685 PolarHBondContact O-N 3.35Å; F683-S686 PolarHBondContact O-N 3.43Å; F683-Q687 WeakPolarHBondContact O-CB 3.49Å; F683-Q687 PolarHBondContact O-N 3.4Å |
| 684 | R | 71.2 | Confident | 76 | Confident | 141 Ų | 141 | 94.3 Ų | 94.3 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -39.4 | 174.5 | -75.4 | -175 | -61.3 | -91.2 | 2.1 | 111.9 | A680 A681 A682 Q687 A688 | A680-R684 WeakPolarHBondContact O-CG 3.34Å; A680-R684 PolarHBondContact O-N 3.48Å; A680-R684 PolarHBondContact O-NH1 3.24Å; A681-R684 PolarHBondContact O-N 3.49Å; A682-R684 PolarHBondContact O-N 2.94Å; R684-Q687 PolarHBondContact O-N 3.46Å; R684-A688 WeakPolarHBondContact O-CB 3.28Å; R684-A688 PolarHBondContact O-N 3.33Å |
| 685 | Y | 74.7 | Confident | 75.7 | Confident | 153 Ų | 153 | 93.5 Ų | 93.5 | 60% | 0.6 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -47.3 | 176.4 | -177.6 | -105.6 | 0 | 0 | 0 | 111.9 | A681 A682 F683 Q687 A688 Q689 | A681-Y685 WeakPolarHBondContact O-CB 3.49Å; A681-Y685 PolarHBondContact O-N 2.92Å; A682-Y685 WeakPolarHBondContact O-CB 3.46Å; A682-Y685 PolarHBondContact O-N 3.26Å; F683-Y685 VanDerWaalsContact C-N 3.29Å; F683-Y685 PolarHBondContact O-N 3.35Å; Y685-Q687 PolarHBondContact O-N 3.28Å; Y685-A688 PolarHBondContact O-N 3.21Å; Y685-Q689 HydrophobicContact CE1-CG 4.47Å; Y685-Q689 VanDerWaalsContact CZ-NE2 3.34Å; Y685-Q689 PolarHBondContact O-N 2.87Å; Y685-Q689 PolarHBondContact OH-NE2 3.23Å |
| 686 | S | 78.8 | Confident | 75.1 | Confident | 67 Ų | 67 | 91.4 Ų | 91.4 | 47% | 0.469 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 174.3 | -61.5 | 0 | 0 | 0 | 0 | 112.9 | A682 F683 Q689 L690 | A682-S686 PolarHBondContact O-N 2.99Å; A682-S686 PolarHBondContact O-OG 3.42Å; F683-S686 PolarHBondContact O-N 3.43Å; S686-Q689 PolarHBondContact O-N 2.83Å; S686-L690 PolarHBondContact O-N 2.9Å |
| 687 | Q | 72.2 | Confident | 75 | Confident | 121 Ų | 121 | 89.9 Ų | 89.9 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.2 | -38.9 | 176.3 | -169.6 | 177.6 | 34.3 | 0 | 0 | 111.9 | F683 R684 Y685 L690 A691 | F683-Q687 WeakPolarHBondContact O-CB 3.49Å; F683-Q687 PolarHBondContact O-N 3.4Å; R684-Q687 PolarHBondContact O-N 3.46Å; Y685-Q687 PolarHBondContact O-N 3.28Å; Q687-L690 PolarHBondContact O-N 3.26Å; Q687-A691 PolarHBondContact O-N 2.81Å |
| 688 | A | 70.9 | Confident | 74.6 | Confident | 50 Ų | 50 | 90 Ų | 90 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R684 Y685 L690 A691 I692 | R684-A688 WeakPolarHBondContact O-CB 3.28Å; R684-A688 PolarHBondContact O-N 3.33Å; Y685-A688 PolarHBondContact O-N 3.21Å; A688-L690 VanDerWaalsContact C-N 3.33Å; A688-L690 PolarHBondContact O-N 2.88Å; A688-A691 PolarHBondContact O-N 2.87Å; A688-I692 VanDerWaalsContact O-CG1 3.31Å; A688-I692 WeakPolarHBondContact O-CG1 3.33Å; A688-I692 PolarHBondContact O-N 3.43Å |
| 689 | Q | 76.4 | Confident | 74.1 | Confident | 100 Ų | 100 | 87.7 Ų | 87.7 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 172.3 | -73.2 | -172.4 | -9.4 | 0 | 0 | 112 | Y685 S686 A691 I692 A693 | Y685-Q689 HydrophobicContact CE1-CG 4.47Å; Y685-Q689 VanDerWaalsContact CZ-NE2 3.34Å; Y685-Q689 PolarHBondContact O-N 2.87Å; Y685-Q689 PolarHBondContact OH-NE2 3.23Å; S686-Q689 PolarHBondContact O-N 2.83Å; Q689-A691 PolarHBondContact O-N 3.15Å; Q689-I692 PolarHBondContact O-N 3.3Å; Q689-A693 WeakPolarHBondContact O-CB 3.37Å; Q689-A693 PolarHBondContact O-N 2.78Å |
| 690 | L | 74.6 | Confident | 73.6 | Confident | 108 Ų | 108 | 84.3 Ų | 84.3 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | 178.2 | -145.3 | 95.5 | 0 | 0 | 0 | 111.8 | S686 Q687 A688 A693 H694 | S686-L690 PolarHBondContact O-N 2.9Å; Q687-L690 PolarHBondContact O-N 3.26Å; A688-L690 VanDerWaalsContact C-N 3.33Å; A688-L690 PolarHBondContact O-N 2.88Å; L690-A693 PolarHBondContact O-N 3.22Å; L690-H694 PolarHBondContact O-CD2 3.3Å; L690-H694 VanDerWaalsContact O-CD2 3.25Å; L690-H694 PolarHBondContact O-N 2.97Å |
| 691 | A | 70.4 | Confident | 73.3 | Confident | 53 Ų | 53 | 88.2 Ų | 88.2 | 44% | 0.438 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q687 A688 Q689 H694 T695 | Q687-A691 PolarHBondContact O-N 2.81Å; A688-A691 PolarHBondContact O-N 2.87Å; Q689-A691 PolarHBondContact O-N 3.15Å; A691-H694 PolarHBondContact O-N 2.82Å; A691-T695 WeakPolarHBondContact O-CB 3.38Å; A691-T695 WeakPolarHBondContact O-CG2 3.46Å; A691-T695 PolarHBondContact O-N 3.37Å; A691-T695 PolarHBondContact O-OG1 2.89Å |
| 692 | I | 71.1 | Confident | 72.9 | Confident | 114 Ų | 114 | 88.7 Ų | 88.7 | 59% | 0.585 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 172.6 | -67.6 | 163.6 | 0 | 0 | 0 | 110.1 | A688 Q689 H694 T695 S696 | A688-I692 VanDerWaalsContact O-CG1 3.31Å; A688-I692 WeakPolarHBondContact O-CG1 3.33Å; A688-I692 PolarHBondContact O-N 3.43Å; Q689-I692 PolarHBondContact O-N 3.3Å; I692-H694 PolarHBondContact O-N 2.83Å; I692-T695 WeakPolarHBondContact CA-OG1 3.44Å; I692-T695 PolarHBondContact O-N 3.37Å; I692-T695 PolarHBondContact O-OG1 2.93Å; I692-S696 WeakPolarHBondContact O-CB 3.36Å; I692-S696 PolarHBondContact O-N 3.48Å; I692-S696 PolarHBondContact O-OG 3.48Å; I692-S696 VanDerWaalsContact O-OG 3.06Å |
| 693 | A | 74.9 | Confident | 72.5 | Confident | 48 Ų | 48 | 90.2 Ų | 90.2 | 40% | 0.397 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q689 L690 S696 T697 | Q689-A693 WeakPolarHBondContact O-CB 3.37Å; Q689-A693 PolarHBondContact O-N 2.78Å; L690-A693 PolarHBondContact O-N 3.22Å; A693-S696 PolarHBondContact O-OG 3.03Å; A693-S696 VanDerWaalsContact O-OG 3.05Å; A693-T697 VanDerWaalsContact O-CB 3.25Å; A693-T697 WeakPolarHBondContact O-CB 3.09Å; A693-T697 PolarHBondContact O-N 2.88Å; A693-T697 PolarHBondContact O-OG1 2.76Å |
| 694 | H | 73.7 | Confident | 72.2 | Confident | 125 Ų | 125 | 89 Ų | 89 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.7 | -41.8 | 176.2 | -86.4 | -69.1 | 0 | 0 | 0 | 112.6 | L690 A691 I692 T697 S698 | L690-H694 PolarHBondContact O-CD2 3.3Å; L690-H694 VanDerWaalsContact O-CD2 3.25Å; L690-H694 PolarHBondContact O-N 2.97Å; A691-H694 PolarHBondContact O-N 2.82Å; I692-H694 PolarHBondContact O-N 2.83Å; H694-T697 PolarHBondContact O-N 3.03Å; H694-S698 VanDerWaalsContact O-CB 3.28Å; H694-S698 WeakPolarHBondContact O-CB 3.38Å; H694-S698 PolarHBondContact O-N 2.89Å |
| 695 | T | 72.6 | Confident | 72.2 | Confident | 94 Ų | 94 | 88.3 Ų | 88.3 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.8 | -40.5 | 178.6 | 47 | 0 | 0 | 0 | 0 | 111.9 | A691 I692 S698 A699 | A691-T695 WeakPolarHBondContact O-CB 3.38Å; A691-T695 WeakPolarHBondContact O-CG2 3.46Å; A691-T695 PolarHBondContact O-N 3.37Å; A691-T695 PolarHBondContact O-OG1 2.89Å; I692-T695 WeakPolarHBondContact CA-OG1 3.44Å; I692-T695 PolarHBondContact O-N 3.37Å; I692-T695 PolarHBondContact O-OG1 2.93Å; T695-S698 PolarHBondContact O-N 2.74Å; T695-A699 WeakPolarHBondContact O-CB 3.3Å; T695-A699 PolarHBondContact O-N 3.12Å |
| 696 | S | 70.5 | Confident | 71.8 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 173.1 | 63.4 | 0 | 0 | 0 | 0 | 112.5 | I692 A693 A699 A700 | I692-S696 WeakPolarHBondContact O-CB 3.36Å; I692-S696 PolarHBondContact O-N 3.48Å; I692-S696 PolarHBondContact O-OG 3.48Å; I692-S696 VanDerWaalsContact O-OG 3.06Å; A693-S696 PolarHBondContact O-OG 3.03Å; A693-S696 VanDerWaalsContact O-OG 3.05Å; S696-A699 PolarHBondContact O-N 3.25Å; S696-A700 WeakPolarHBondContact O-CB 3.41Å; S696-A700 PolarHBondContact O-N 2.93Å |
| 697 | T | 74.5 | Confident | 71.5 | Confident | 83 Ų | 83 | 86.6 Ų | 86.6 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 175.4 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | A693 H694 A700 Q701 | A693-T697 VanDerWaalsContact O-CB 3.25Å; A693-T697 WeakPolarHBondContact O-CB 3.09Å; A693-T697 PolarHBondContact O-N 2.88Å; A693-T697 PolarHBondContact O-OG1 2.76Å; H694-T697 PolarHBondContact O-N 3.03Å; T697-A700 PolarHBondContact O-N 2.97Å; T697-Q701 WeakPolarHBondContact O-CB 3.38Å; T697-Q701 PolarHBondContact O-N 3.08Å |
| 698 | S | 68.9 | Low | 71.5 | Confident | 75 Ų | 75 | 83.7 Ų | 83.7 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 175.3 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | H694 T695 Q701 A702 | H694-S698 VanDerWaalsContact O-CB 3.28Å; H694-S698 WeakPolarHBondContact O-CB 3.38Å; H694-S698 PolarHBondContact O-N 2.89Å; T695-S698 PolarHBondContact O-N 2.74Å; S698-Q701 PolarHBondContact O-N 3.36Å; S698-A702 VanDerWaalsContact O-CB 3.29Å; S698-A702 WeakPolarHBondContact O-CB 3.36Å; S698-A702 PolarHBondContact O-N 2.8Å |
| 699 | A | 66.7 | Low | 71.5 | Confident | 55 Ų | 55 | 87.6 Ų | 87.6 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | T695 S696 T703 | T695-A699 WeakPolarHBondContact O-CB 3.3Å; T695-A699 PolarHBondContact O-N 3.12Å; S696-A699 PolarHBondContact O-N 3.25Å; A699-T703 WeakPolarHBondContact O-CB 2.99Å; A699-T703 PolarHBondContact O-N 3.27Å; A699-T703 PolarHBondContact O-OG1 2.69Å |
| 700 | A | 73.3 | Confident | 71 | Confident | 47 Ų | 47 | 85.3 Ų | 85.3 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S696 T697 T703 I704 | S696-A700 WeakPolarHBondContact O-CB 3.41Å; S696-A700 PolarHBondContact O-N 2.93Å; T697-A700 PolarHBondContact O-N 2.97Å; A700-T703 WeakPolarHBondContact CA-OG1 3.33Å; A700-T703 PolarHBondContact O-N 3.35Å; A700-T703 PolarHBondContact O-OG1 3.38Å; A700-I704 WeakPolarHBondContact O-CB 3.23Å; A700-I704 WeakPolarHBondContact O-CD1 3.41Å; A700-I704 VanDerWaalsContact O-CG1 3.23Å; A700-I704 WeakPolarHBondContact O-CG1 3.34Å; A700-I704 PolarHBondContact O-N 3.34Å |
| 701 | Q | 70.3 | Confident | 70.4 | Confident | 114 Ų | 114 | 83.8 Ų | 83.8 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 178.2 | -166 | 172.6 | 13.8 | 0 | 0 | 111.8 | T697 S698 I704 M705 | T697-Q701 WeakPolarHBondContact O-CB 3.38Å; T697-Q701 PolarHBondContact O-N 3.08Å; S698-Q701 PolarHBondContact O-N 3.36Å; Q701-I704 PolarHBondContact O-N 2.87Å; Q701-M705 HydrophobicContact CG-CE 4.27Å; Q701-M705 WeakPolarHBondContact O-CG 3.3Å; Q701-M705 PolarHBondContact O-N 3.13Å |
| 702 | A | 67.9 | Low | 70 | Confident | 57 Ų | 57 | 83.9 Ų | 83.9 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S698 M705 A706 | S698-A702 VanDerWaalsContact O-CB 3.29Å; S698-A702 WeakPolarHBondContact O-CB 3.36Å; S698-A702 PolarHBondContact O-N 2.8Å; A702-M705 PolarHBondContact O-N 3.03Å; A702-A706 WeakPolarHBondContact O-CB 3.37Å; A702-A706 PolarHBondContact O-N 2.85Å |
| 703 | T | 71.3 | Confident | 69.3 | Low | 82 Ų | 82 | 83.2 Ų | 83.2 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.7 | -36.5 | 175.3 | 43.9 | 0 | 0 | 0 | 0 | 112.4 | A699 A700 A706 L707 | A699-T703 WeakPolarHBondContact O-CB 2.99Å; A699-T703 PolarHBondContact O-N 3.27Å; A699-T703 PolarHBondContact O-OG1 2.69Å; A700-T703 WeakPolarHBondContact CA-OG1 3.33Å; A700-T703 PolarHBondContact O-N 3.35Å; A700-T703 PolarHBondContact O-OG1 3.38Å; T703-A706 PolarHBondContact O-N 3.25Å; T703-L707 WeakPolarHBondContact O-CB 3.47Å; T703-L707 VanDerWaalsContact O-CG 3.31Å; T703-L707 WeakPolarHBondContact O-CG 3.07Å; T703-L707 PolarHBondContact O-N 3.19Å |
| 704 | I | 71.4 | Confident | 68.5 | Low | 114 Ų | 114 | 87.3 Ų | 87.3 | 59% | 0.585 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -45.4 | 169.9 | -70.8 | 164.7 | 0 | 0 | 0 | 110.8 | A700 Q701 L707 A708 | A700-I704 WeakPolarHBondContact O-CB 3.23Å; A700-I704 WeakPolarHBondContact O-CD1 3.41Å; A700-I704 VanDerWaalsContact O-CG1 3.23Å; A700-I704 WeakPolarHBondContact O-CG1 3.34Å; A700-I704 PolarHBondContact O-N 3.34Å; Q701-I704 PolarHBondContact O-N 2.87Å; I704-L707 PolarHBondContact O-N 3.46Å; I704-A708 VanDerWaalsContact O-CB 3.32Å; I704-A708 WeakPolarHBondContact O-CB 3.41Å; I704-A708 PolarHBondContact O-N 2.98Å |
| 705 | M | 71 | Confident | 67.6 | Low | 125 Ų | 125 | 85 Ų | 85 | 62% | 0.616 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 175 | -74 | -174.2 | -174.7 | 0 | 0 | 112.4 | Q701 A702 A708 K709 | Q701-M705 HydrophobicContact CG-CE 4.27Å; Q701-M705 WeakPolarHBondContact O-CG 3.3Å; Q701-M705 PolarHBondContact O-N 3.13Å; A702-M705 PolarHBondContact O-N 3.03Å; M705-A708 PolarHBondContact O-N 2.76Å; M705-K709 VanDerWaalsContact O-CB 3.24Å; M705-K709 WeakPolarHBondContact O-CB 3.34Å; M705-K709 PolarHBondContact O-N 3.16Å |
| 706 | A | 67.7 | Low | 66.7 | Low | 58 Ų | 58 | 85 Ų | 85 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A702 T703 K709 A710 | A702-A706 WeakPolarHBondContact O-CB 3.37Å; A702-A706 PolarHBondContact O-N 2.85Å; T703-A706 PolarHBondContact O-N 3.25Å; A706-K709 PolarHBondContact O-N 2.85Å; A706-A710 WeakPolarHBondContact O-CB 3.35Å; A706-A710 PolarHBondContact O-N 3.13Å |
| 707 | L | 71.8 | Confident | 65.6 | Low | 126 Ų | 126 | 88.6 Ų | 88.6 | 66% | 0.66 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.1 | -41.9 | 175.6 | -71.6 | 169.4 | 0 | 0 | 0 | 112 | T703 I704 K709 A710 S711 | T703-L707 WeakPolarHBondContact O-CB 3.47Å; T703-L707 VanDerWaalsContact O-CG 3.31Å; T703-L707 WeakPolarHBondContact O-CG 3.07Å; T703-L707 PolarHBondContact O-N 3.19Å; I704-L707 PolarHBondContact O-N 3.46Å; L707-K709 VanDerWaalsContact C-N 3.35Å; L707-A710 PolarHBondContact O-N 3.35Å; L707-S711 WeakPolarHBondContact O-CB 3.49Å; L707-S711 PolarHBondContact O-N 3.26Å |
| 708 | A | 71.3 | Confident | 64.4 | Low | 61 Ų | 61 | 90.6 Ų | 90.6 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I704 M705 S711 A712 | I704-A708 VanDerWaalsContact O-CB 3.32Å; I704-A708 WeakPolarHBondContact O-CB 3.41Å; I704-A708 PolarHBondContact O-N 2.98Å; M705-A708 PolarHBondContact O-N 2.76Å; A708-S711 PolarHBondContact O-N 3.18Å; A708-A712 WeakPolarHBondContact O-CB 3.32Å; A708-A712 PolarHBondContact O-N 3.27Å |
| 709 | K | 71.7 | Confident | 63.4 | Low | 131 Ų | 131 | 96.1 Ų | 96.1 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -48.6 | 175.2 | -179 | 174.6 | 170.8 | 179.7 | 0 | 111.7 | M705 A706 L707 S711 A712 E713 | M705-K709 VanDerWaalsContact O-CB 3.24Å; M705-K709 WeakPolarHBondContact O-CB 3.34Å; M705-K709 PolarHBondContact O-N 3.16Å; A706-K709 PolarHBondContact O-N 2.85Å; L707-K709 VanDerWaalsContact C-N 3.35Å; K709-S711 VanDerWaalsContact C-N 3.28Å; K709-S711 PolarHBondContact O-N 3.07Å; K709-A712 PolarHBondContact O-N 2.95Å; K709-A712 VanDerWaalsContact O-N 3.1Å; K709-E713 VanDerWaalsContact CE-CD 3.5Å; K709-E713 WeakPolarHBondContact CE-OE1 3.5Å; K709-E713 HydrophobicContact CG-CG 4.33Å; K709-E713 IonicContact NZ-OE1 3.78Å; K709-E713 WeakPolarHBondContact O-CB 3.34Å; K709-E713 WeakPolarHBondContact O-CG 3.14Å; K709-E713 PolarHBondContact O-N 3.21Å |
| 710 | A | 64.6 | Low | 62.3 | Low | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.2 | -36.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | A706 L707 K714 | A706-A710 WeakPolarHBondContact O-CB 3.35Å; A706-A710 PolarHBondContact O-N 3.13Å; L707-A710 PolarHBondContact O-N 3.35Å; A710-K714 WeakPolarHBondContact O-CB 3.4Å; A710-K714 PolarHBondContact O-N 2.89Å |
| 711 | S | 64 | Low | 60.7 | Low | 76 Ų | 76 | 106.8 Ų | 106.8 | 53% | 0.531 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.2 | -40.7 | 173.3 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | L707 A708 K709 V715 | L707-S711 WeakPolarHBondContact O-CB 3.49Å; L707-S711 PolarHBondContact O-N 3.26Å; A708-S711 PolarHBondContact O-N 3.18Å; K709-S711 VanDerWaalsContact C-N 3.28Å; K709-S711 PolarHBondContact O-N 3.07Å; S711-V715 WeakPolarHBondContact O-CG2 3.46Å; S711-V715 PolarHBondContact O-N 3.3Å; S711-V715 VanDerWaalsContact O-N 3.14Å |
| 712 | A | 61.3 | Low | 59.2 | Low | 54 Ų | 54 | 108.6 Ų | 108.6 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.7 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A708 K709 V715 N716 | A708-A712 WeakPolarHBondContact O-CB 3.32Å; A708-A712 PolarHBondContact O-N 3.27Å; K709-A712 PolarHBondContact O-N 2.95Å; K709-A712 VanDerWaalsContact O-N 3.1Å; A712-V715 PolarHBondContact O-N 3.33Å; A712-N716 WeakPolarHBondContact O-CB 3.3Å; A712-N716 PolarHBondContact O-N 3.47Å |
| 713 | E | 57 | Low | 57.6 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 47% | 0.472 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.5 | -37.7 | 176.6 | -74.1 | 174.5 | 159 | 0 | 0 | 111.6 | K709 N716 M717 | K709-E713 VanDerWaalsContact CE-CD 3.5Å; K709-E713 WeakPolarHBondContact CE-OE1 3.5Å; K709-E713 HydrophobicContact CG-CG 4.33Å; K709-E713 IonicContact NZ-OE1 3.78Å; K709-E713 WeakPolarHBondContact O-CB 3.34Å; K709-E713 WeakPolarHBondContact O-CG 3.14Å; K709-E713 PolarHBondContact O-N 3.21Å; E713-N716 PolarHBondContact O-N 2.98Å; E713-M717 WeakPolarHBondContact O-CB 3.43Å; E713-M717 VanDerWaalsContact O-CG 3.32Å; E713-M717 WeakPolarHBondContact O-CG 3.39Å; E713-M717 PolarHBondContact O-N 2.59Å |
| 714 | K | 56.5 | Low | 55.8 | Low | 133 Ų | 133 | 119.5 Ų | 119.5 | 58% | 0.578 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.5 | -44.7 | 173.1 | -168.3 | 178.1 | 175.9 | -171.4 | 0 | 112.5 | A710 N716 M717 E718 | A710-K714 WeakPolarHBondContact O-CB 3.4Å; A710-K714 PolarHBondContact O-N 2.89Å; K714-N716 VanDerWaalsContact C-N 3.32Å; K714-N716 PolarHBondContact O-N 2.92Å; K714-M717 PolarHBondContact O-N 3.39Å; K714-E718 WeakPolarHBondContact CE-OE1 3.44Å; K714-E718 IonicContact NZ-OE1 2.71Å; K714-E718 WeakPolarHBondContact O-CG 3.36Å; K714-E718 PolarHBondContact O-N 2.88Å |
| 715 | V | 56.2 | Low | 54 | Low | 76 Ų | 76 | 120.1 Ų | 120.1 | 46% | 0.461 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.9 | -33.9 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 112 | S711 A712 R719 | S711-V715 WeakPolarHBondContact O-CG2 3.46Å; S711-V715 PolarHBondContact O-N 3.3Å; S711-V715 VanDerWaalsContact O-N 3.14Å; A712-V715 PolarHBondContact O-N 3.33Å; V715-R719 PolarHBondContact O-N 3.33Å |
| 716 | N | 53.2 | Low | 52.2 | Low | 94 Ų | 94 | 119.5 Ų | 119.5 | 50% | 0.503 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.8 | -40.1 | 172.8 | -88.2 | -10.2 | 0 | 0 | 0 | 112.5 | A712 E713 K714 E718 R719 L720 | A712-N716 WeakPolarHBondContact O-CB 3.3Å; A712-N716 PolarHBondContact O-N 3.47Å; E713-N716 PolarHBondContact O-N 2.98Å; K714-N716 VanDerWaalsContact C-N 3.32Å; K714-N716 PolarHBondContact O-N 2.92Å; N716-E718 PolarHBondContact O-N 3.21Å; N716-R719 PolarHBondContact O-N 3.17Å; N716-L720 HydrophobicContact CB-CD1 4.48Å; N716-L720 WeakPolarHBondContact O-CB 3.39Å; N716-L720 PolarHBondContact O-N 3.43Å |
| 717 | M | 47.2 | Very low | 50.5 | Low | 145 Ų | 145 | 123.2 Ų | 123.2 | 71% | 0.714 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -58.2 | -46.3 | 172.8 | -81.7 | -80 | -72.6 | 0 | 0 | 111.8 | E713 K714 R719 L720 | E713-M717 WeakPolarHBondContact O-CB 3.43Å; E713-M717 VanDerWaalsContact O-CG 3.32Å; E713-M717 WeakPolarHBondContact O-CG 3.39Å; E713-M717 PolarHBondContact O-N 2.59Å; K714-M717 PolarHBondContact O-N 3.39Å; M717-R719 PolarHBondContact O-N 3.39Å; M717-L720 PolarHBondContact O-N 3.49Å |
| 718 | E | 48.7 | Very low | 48.6 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 58% | 0.584 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.4 | -18.3 | 178.7 | -71 | 174.2 | -179.3 | 0 | 0 | 113.1 | K714 N716 | K714-E718 WeakPolarHBondContact CE-OE1 3.44Å; K714-E718 IonicContact NZ-OE1 2.71Å; K714-E718 WeakPolarHBondContact O-CG 3.36Å; K714-E718 PolarHBondContact O-N 2.88Å; N716-E718 PolarHBondContact O-N 3.21Å |
| 719 | R | 48.2 | Very low | 46.6 | Very low | 191 Ų | 191 | 126.6 Ų | 126.6 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -90.8 | -36.7 | 171.4 | -81.8 | -176.6 | 161.1 | -174.6 | -5.5 | 114.2 | V715 N716 M717 Q721 Q722 | V715-R719 PolarHBondContact O-N 3.33Å; N716-R719 PolarHBondContact O-N 3.17Å; M717-R719 PolarHBondContact O-N 3.39Å; R719-Q721 PolarHBondContact O-N 3.39Å; R719-Q722 PolarHBondContact O-N 3.05Å; R719-Q722 VanDerWaalsContact O-N 3.14Å |
| 720 | L | 44.4 | Very low | 44.8 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 75% | 0.754 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -74.1 | -5 | -175.9 | -86.1 | 158.8 | 0 | 0 | 0 | 114.4 | N716 M717 Q722 | N716-L720 HydrophobicContact CB-CD1 4.48Å; N716-L720 WeakPolarHBondContact O-CB 3.39Å; N716-L720 PolarHBondContact O-N 3.43Å; M717-L720 PolarHBondContact O-N 3.49Å; L720-Q722 VanDerWaalsContact C-N 3.28Å |
| 721 | Q | 38.7 | Very low | 43 | Very low | 183 Ų | 183 | 131.4 Ų | 131.4 | 86% | 0.855 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 7.7 | 169 | -156.1 | 153.8 | 35.5 | 0 | 0 | 113.4 | R719 | R719-Q721 PolarHBondContact O-N 3.39Š|
| 722 | Q | 40 | Very low | 41.4 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -129.6 | 136.5 | 169.7 | -62 | -173.9 | 13.4 | 0 | 0 | 111.5 | R719 L720 | R719-Q722 PolarHBondContact O-N 3.05Å; R719-Q722 VanDerWaalsContact O-N 3.14Å; L720-Q722 VanDerWaalsContact C-N 3.28Å |
| 723 | Q | 34.4 | Very low | 40 | Very low | 200 Ų | 200 | 137.4 Ų | 137.4 | 94% | 0.935 | 70% | 0.695 | S | S | * | * | trans | 75.3 | 117.3 | 174.6 | -56.5 | -171.1 | -15.3 | 0 | 0 | 117.4 | ||||
| 724 | H | 31.9 | Very low | 38.7 | Very low | 169 Ų | 169 | 139.1 Ų | 139.1 | 78% | 0.782 | 71% | 0.712 | S | S | * | * | trans | -87 | 168.7 | -179.7 | -150.4 | -97.8 | 0 | 0 | 0 | 110.8 | ||||
| 725 | N | 33.3 | Very low | 37.3 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | trans | 101.4 | 109.1 | 157.8 | -56.6 | -36.9 | 0 | 0 | 0 | 121.1 | ||||
| 726 | T | 35 | Very low | 36.4 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | 69.1 | 102.6 | 125.7 | 63.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 727 | D | 31.5 | Very low | 35.3 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 87.4 | 135.3 | 112 | -68.6 | -45 | 0 | 0 | 0 | 124.8 | |||||
| 728 | I | 32.6 | Very low | 34.5 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | 72.8 | 139.4 | 147.8 | -69.7 | 161.5 | 0 | 0 | 0 | 118.6 | ||||
| 729 | S | 28.8 | Very low | 33.6 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | cis | -172.7 | 176.3 | -23.3 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 730 | L | 33.2 | Very low | 32.7 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | 86.3 | 109.5 | 159.3 | -55.2 | 179.5 | 0 | 0 | 0 | 122.3 | ||||
| 731 | Q | 27.8 | Very low | 31.8 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | 61.4 | 109.9 | 123.8 | -65.5 | 177.1 | -21.5 | 0 | 0 | 121.7 | |||||
| 732 | N | 30.4 | Very low | 31.4 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | 172.6 | 163.8 | 85.5 | -96.9 | -37.3 | 0 | 0 | 0 | 116 | |||||
| 733 | S | 31.2 | Very low | 30.8 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 78.2 | 81.8 | 153.8 | -162.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 734 | V | 30.5 | Very low | 30.5 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | 50.7 | 121.6 | 128.9 | -175.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 735 | C | 27.1 | Very low | 30.4 | Very low | 122 Ų | 122 | 135 Ų | 135 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -137.5 | 151.4 | 153.8 | -82.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 736 | P | 37 | Very low | 30.2 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | trans | -83.6 | 113.9 | 175.9 | -8.8 | 27.2 | 0 | 0 | 0 | 113.3 | ||||
| 737 | S | 30 | Very low | 29.9 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -68.8 | 170.6 | 150.6 | -119.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 738 | S | 29.8 | Very low | 29.8 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | cis | 169.9 | 158.3 | -24.7 | 52.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 739 | V | 29.7 | Very low | 29.9 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | trans | 176.9 | 109.1 | 154.3 | 136.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 740 | V | 28.7 | Very low | 30.1 | Very low | 106 Ų | 106 | 137 Ų | 137 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | cis | 63.8 | 110.3 | 38.1 | -166.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 741 | E | 26.2 | Very low | 30.2 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | cis | -151.7 | 172.4 | 25.8 | -125 | 158.8 | -140.5 | 0 | 0 | 107.9 | ||||
| 742 | K | 31 | Very low | 30.6 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | cis | -164 | 162.2 | 47.9 | -137.2 | 158.1 | -163.3 | 176.1 | 0 | 112.4 | ||||
| 743 | Y | 26.3 | Very low | 30.8 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | trans | -82.1 | 153.9 | 178.1 | -59.8 | -101.3 | 0 | 0 | 0 | 111.6 | ||||
| 744 | E | 29.3 | Very low | 31.1 | Very low | 198 Ų | 198 | 134.3 Ų | 134.3 | 93% | 0.925 | 73% | 0.731 | S | S | * | * | -158.4 | 139.1 | 103 | -108.2 | 165.4 | -161 | 0 | 0 | 112.8 | |||||
| 745 | T | 27.9 | Very low | 31.5 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | trans | -87 | 141.4 | -176 | 34.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 746 | E | 30.5 | Very low | 31.9 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 93% | 0.93 | 71% | 0.714 | S | S | * | * | trans | -125.3 | 156.2 | 137.9 | -75.2 | -151.6 | 142.4 | 0 | 0 | 110.6 | ||||
| 747 | Q | 28.9 | Very low | 31.8 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | trans | -110.6 | 126.7 | -163.7 | -59.6 | 173.2 | 7.6 | 0 | 0 | 111.3 | ||||
| 748 | S | 29.8 | Very low | 32.2 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | trans | -145 | 156 | 159.7 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 749 | S | 32.8 | Very low | 32.5 | Very low | 61 Ų | 61 | 136.2 Ų | 136.2 | 43% | 0.427 | 70% | 0.698 | S | S | . | * | trans | -79.6 | 149 | -159.7 | 82.7 | 0 | 0 | 0 | 0 | 113.9 | I751 | S749-I751 PolarHBondContact O-N 2.66Š| ||
| 750 | P | 33.2 | Very low | 32.5 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -1 | 177.8 | -24.5 | 35.2 | 0 | 0 | 0 | 116.4 | ||
| 751 | I | 36.3 | Very low | 32.6 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 62% | 0.621 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -40.6 | -172.5 | -61.1 | 177.5 | 0 | 0 | 0 | 111.2 | S749 F753 I754 S755 | S749-I751 PolarHBondContact O-N 2.66Å; I751-F753 VanDerWaalsContact C-N 3.33Å; I751-F753 PolarHBondContact O-N 3.48Å; I751-I754 PolarHBondContact O-N 3.43Å; I751-S755 PolarHBondContact O-N 2.97Å; I751-S755 PolarHBondContact O-OG 3.37Å |
| 752 | D | 36.6 | Very low | 32.6 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 57% | 0.567 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -71 | -26.8 | -176.8 | -69.2 | -49.3 | 0 | 0 | 0 | 113.6 | I754 S755 R756 | D752-I754 VanDerWaalsContact C-N 3.28Å; D752-I754 PolarHBondContact O-N 2.94Å; D752-S755 PolarHBondContact O-N 3.11Å; D752-R756 WeakPolarHBondContact O-CB 3.25Å; D752-R756 PolarHBondContact O-N 2.92Å; D752-R756 VanDerWaalsContact O-N 3.09Å |
| 753 | F | 33.9 | Very low | 32.6 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 68% | 0.68 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -64.8 | -33.4 | 175.2 | -167.2 | -100.6 | 0 | 0 | 0 | 112 | I751 L757 | I751-F753 VanDerWaalsContact C-N 3.33Å; I751-F753 PolarHBondContact O-N 3.48Å; F753-L757 HydrophobicContact CD1-CD1 4.01Å; F753-L757 HydrophobicContact CE1-CD1 3.58Å; F753-L757 HydrophobicContact CZ-CD1 4.12Å; F753-L757 PolarHBondContact O-N 3.17Å |
| 754 | I | 38.4 | Very low | 32.9 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 53% | 0.528 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -75.1 | -45.8 | 176.7 | -61.7 | 176.1 | 0 | 0 | 0 | 110.1 | I751 D752 R756 L757 I758 | I751-I754 PolarHBondContact O-N 3.43Å; D752-I754 VanDerWaalsContact C-N 3.28Å; D752-I754 PolarHBondContact O-N 2.94Å; I754-R756 PolarHBondContact O-N 3.07Å; I754-L757 PolarHBondContact O-N 2.93Å; I754-L757 VanDerWaalsContact O-N 3.1Å; I754-I758 HydrophobicContact CG2-CD1 3.83Å; I754-I758 PolarHBondContact O-N 3.32Å |
| 755 | S | 38.3 | Very low | 32.8 | Very low | 70 Ų | 70 | 133.1 Ų | 133.1 | 49% | 0.49 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -54.4 | -38.8 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | I751 D752 T759 | I751-S755 PolarHBondContact O-N 2.97Å; I751-S755 PolarHBondContact O-OG 3.37Å; D752-S755 PolarHBondContact O-N 3.11Å; S755-T759 PolarHBondContact O-OG1 3.37Å |
| 756 | R | 34.4 | Very low | 32.9 | Very low | 213 Ų | 213 | 136 Ų | 136 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -81.4 | -12.4 | -178 | -161.1 | 169 | -178.4 | 169.9 | -0.6 | 114.3 | D752 I754 | D752-R756 WeakPolarHBondContact O-CB 3.25Å; D752-R756 PolarHBondContact O-N 2.92Å; D752-R756 VanDerWaalsContact O-N 3.09Å; I754-R756 PolarHBondContact O-N 3.07Å |
| 757 | L | 36.1 | Very low | 32.9 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 63% | 0.628 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -91.5 | -21.6 | 174.3 | -108 | 155.4 | 0 | 0 | 0 | 112.9 | F753 I754 | F753-L757 HydrophobicContact CD1-CD1 4.01Å; F753-L757 HydrophobicContact CE1-CD1 3.58Å; F753-L757 HydrophobicContact CZ-CD1 4.12Å; F753-L757 PolarHBondContact O-N 3.17Å; I754-L757 PolarHBondContact O-N 2.93Å; I754-L757 VanDerWaalsContact O-N 3.1Å |
| 758 | I | 38.3 | Very low | 33 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 61% | 0.605 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -86.5 | -18.3 | -178.8 | -68 | 170.9 | 0 | 0 | 0 | 112.3 | I754 N760 | I754-I758 HydrophobicContact CG2-CD1 3.83Å; I754-I758 PolarHBondContact O-N 3.32Å; I758-N760 VanDerWaalsContact C-N 3.3Å; I758-N760 PolarHBondContact O-N 2.92Å |
| 759 | T | 36 | Very low | 33 | Very low | 105 Ų | 105 | 128 Ų | 128 | 64% | 0.644 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -9.1 | -168.1 | -13.7 | 0 | 0 | 0 | 0 | 115.9 | S755 | S755-T759 PolarHBondContact O-OG1 3.37Š|
| 760 | N | 29.8 | Very low | 32.9 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 10.5 | -169.9 | -78.2 | -20.5 | 0 | 0 | 0 | 115.3 | I758 | I758-N760 VanDerWaalsContact C-N 3.3Å; I758-N760 PolarHBondContact O-N 2.92Å |
| 761 | T | 31.3 | Very low | 32.9 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -143.5 | 131.1 | 175.2 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 762 | W | 25.8 | Very low | 32.7 | Very low | 245 Ų | 245 | 132 Ų | 132 | 93% | 0.928 | 69% | 0.69 | S | S | * | * | trans | 87.9 | 166.7 | 164.8 | -151.1 | 62.4 | 0 | 0 | 0 | 118.3 | ||||
| 763 | I | 31.7 | Very low | 32.4 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 65% | 0.646 | 70% | 0.703 | S | S | * | * | trans | 77.4 | 133.4 | -173.8 | -52.6 | 177.6 | 0 | 0 | 0 | 113 | ||||
| 764 | H | 31.3 | Very low | 32.1 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | cis | -135.1 | 158.5 | 12.4 | -135.9 | -60.4 | 0 | 0 | 0 | 113.4 | ||||
| 765 | S | 27.1 | Very low | 31.7 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -132.9 | 149.9 | 160.6 | 173.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 766 | Q | 30.7 | Very low | 31 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | 163.1 | 155.2 | 165.8 | -95.7 | 168.1 | 18.1 | 0 | 0 | 108.8 | ||||
| 767 | A | 29.4 | Very low | 30.6 | Very low | 75 Ų | 75 | 138.8 Ų | 138.8 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | cis | -172.8 | 174.3 | -23.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 768 | N | 30.9 | Very low | 30.2 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 74.7 | 142.3 | 166.6 | -59.4 | -9.7 | 0 | 0 | 0 | 118.1 | ||||
| 769 | N | 30.5 | Very low | 29.6 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | cis | -167 | 159.3 | -16.8 | -109.5 | -12.2 | 0 | 0 | 0 | 111.6 | ||||
| 770 | N | 32 | Very low | 29 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 70.8 | 121 | 158.5 | -58.1 | -6.8 | 0 | 0 | 0 | 116.2 | ||||
| 771 | S | 31.7 | Very low | 28.9 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 88.9 | 128.6 | 75.6 | -172.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 772 | D | 32.7 | Very low | 28.6 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | cis | -163.1 | 170.2 | -1.3 | -121.8 | -63.4 | 0 | 0 | 0 | 112.8 | ||||
| 773 | Q | 30.1 | Very low | 28.7 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | trans | 70.9 | 159.2 | 159.3 | -73.4 | -179.7 | 14.1 | 0 | 0 | 121.4 | ||||
| 774 | P | 27.8 | Very low | 28.4 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -121.3 | 176.5 | -159.9 | 43.8 | -31.7 | 0 | 0 | 0 | 115.5 | ||||
| 775 | I | 29.6 | Very low | 28.2 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | -160.8 | 153.1 | 150.8 | -102.5 | 147 | 0 | 0 | 0 | 109.5 | ||||
| 776 | E | 24.2 | Very low | 28.1 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -101.3 | 159.6 | -178.2 | -55.6 | 179.8 | 119.9 | 0 | 0 | 112.8 | ||||
| 777 | M | 25.1 | Very low | 27.9 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 82% | 0.823 | 74% | 0.741 | S | S | * | * | trans | 57 | 126 | 161.5 | -60.3 | 177 | -71.1 | 0 | 0 | 118.6 | ||||
| 778 | N | 27.4 | Very low | 27.9 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | -175.7 | -175.5 | 86.7 | -156.5 | 6.6 | 0 | 0 | 0 | 111.5 | |||||
| 779 | L | 26.4 | Very low | 27.7 | Very low | 130 Ų | 130 | 139 Ų | 139 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | trans | -61.4 | 161 | 173.6 | -91.9 | 68.9 | 0 | 0 | 0 | 115.2 | ||||
| 780 | D | 23.2 | Very low | 27.7 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | 61.2 | 147.7 | 152.2 | -59.9 | -28.4 | 0 | 0 | 0 | 119.8 | ||||
| 781 | G | 27.9 | Very low | 27.5 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | 111.7 | 121.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 782 | E | 25.6 | Very low | 27.5 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | 72 | 144.7 | 113.6 | -103.8 | -173.8 | -161.4 | 0 | 0 | 122.6 | |||||
| 783 | L | 27.2 | Very low | 27.3 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | trans | 63.9 | 110.9 | 154.5 | -56.4 | 172.2 | 0 | 0 | 0 | 117.6 | ||||
| 784 | N | 26.6 | Very low | 27.3 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | 70 | 130.3 | 68.7 | -71.8 | -26.9 | 0 | 0 | 0 | 115.1 | |||||
| 785 | N | 25.7 | Very low | 27.5 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | trans | 72.3 | 153.2 | 139.7 | -72.1 | -5.9 | 0 | 0 | 0 | 119.4 | ||||
| 786 | I | 25 | Very low | 27.6 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | cis | -169.1 | 171.3 | -28.4 | -129.1 | 172.5 | 0 | 0 | 0 | 107.6 | ||||
| 787 | Q | 26.4 | Very low | 27.9 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | trans | 67 | 164.2 | 168.7 | -80.1 | 147 | 12.9 | 0 | 0 | 115.9 | ||||
| 788 | S | 30.3 | Very low | 28.3 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | cis | -137.1 | 157.9 | 12.2 | 61 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 789 | L | 26 | Very low | 28.6 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | trans | -61.4 | 171.9 | 174.5 | -126.8 | 75.1 | 0 | 0 | 0 | 114.2 | ||||
| 790 | P | 30.7 | Very low | 28.7 | Very low | 107 Ų | 107 | 128 Ų | 128 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | -155.9 | 155.2 | 68.7 | 41.1 | -20.1 | 0 | 0 | 0 | 120.8 | |||||
| 791 | N | 28.9 | Very low | 29.2 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | 62.3 | 149.2 | 140.5 | -64.4 | -1 | 0 | 0 | 0 | 120.2 | ||||
| 792 | T | 30 | Very low | 29.1 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 68% | 0.681 | 71% | 0.706 | S | S | * | * | cis | -168.3 | 155.6 | -0.8 | 17.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 793 | N | 29.7 | Very low | 29.3 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | cis | -154.8 | 165.9 | 28.2 | -80.9 | -53 | 0 | 0 | 0 | 110.2 | ||||
| 794 | N | 29.5 | Very low | 29.4 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | trans | 48.7 | 137.7 | 149.4 | -74.1 | 44.8 | 0 | 0 | 0 | 121 | ||||
| 795 | D | 32.8 | Very low | 29.5 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 62% | 0.615 | 70% | 0.698 | S | S | * | * | cis | -145.5 | 136.8 | 14.9 | -102.1 | -47.8 | 0 | 0 | 0 | 113.6 | ||||
| 796 | N | 30.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | trans | 56.1 | 119.8 | 142.4 | -57.6 | -44.6 | 0 | 0 | 0 | 123.2 | ||||
| 797 | N | 31.8 | Very low | 29.7 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | trans | 71.1 | 144.5 | 134.4 | -57.5 | -11.5 | 0 | 0 | 0 | 118.1 | ||||
| 798 | N | 33 | Very low | 29.7 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | cis | -165.7 | 156.6 | -1 | -101.1 | -2.9 | 0 | 0 | 0 | 107.9 | ||||
| 799 | N | 32.3 | Very low | 29.7 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 60% | 0.599 | 69% | 0.692 | S | S | * | * | cis | -165.7 | 125.6 | -22.2 | -118 | -1 | 0 | 0 | 0 | 111.7 | ||||
| 800 | N | 30.3 | Very low | 29.9 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 67% | 0.668 | 70% | 0.696 | S | S | * | * | trans | 71.7 | 153.5 | 140.2 | -54.2 | -25.2 | 0 | 0 | 0 | 123.6 | ||||
| 801 | N | 33.8 | Very low | 29.8 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | trans | 68.5 | 104.2 | 162.4 | -56.6 | -14.6 | 0 | 0 | 0 | 116.4 | ||||
| 802 | M | 24.7 | Very low | 29.8 | Very low | 165 Ų | 165 | 132 Ų | 132 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | cis | 70.8 | 155.5 | 23.8 | -141.5 | -83.3 | -76.5 | 0 | 0 | 113.9 | ||||
| 803 | I | 30.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 56% | 0.564 | 69% | 0.692 | S | S | * | * | trans | 99.4 | 126.4 | 166.2 | -57.9 | 175.6 | 0 | 0 | 0 | 117.6 | ||||
| 804 | T | 29.7 | Very low | 30.4 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | trans | 69.7 | 153.1 | 157.5 | 58.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 805 | L | 28.2 | Very low | 30.4 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | cis | -165.1 | 151.9 | -16.9 | -97 | 162.2 | 0 | 0 | 0 | 108.9 | ||||
| 806 | Y | 27.3 | Very low | 30.6 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | 41.9 | 134.9 | 139.6 | -72.1 | -131.7 | 0 | 0 | 0 | 119.8 | ||||
| 807 | Q | 27.9 | Very low | 30.4 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | 65.2 | 131.5 | 62.2 | -159.2 | -179.9 | 28.9 | 0 | 0 | 114.3 | |||||
| 808 | S | 26.6 | Very low | 30.3 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 69% | 0.689 | S | S | * | * | trans | 71.6 | 101.7 | 175.3 | -54.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 809 | N | 28.9 | Very low | 30.1 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 66% | 0.663 | 69% | 0.694 | S | S | * | * | -178.4 | 93.1 | 118.1 | -92.7 | -5.5 | 0 | 0 | 0 | 111.8 | Q812 | N809-Q812 HydrophobicContact CB-CB 4.27Š| |||
| 810 | E | 30.7 | Very low | 30 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 86% | 0.855 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -62.4 | 167.8 | 154.2 | -65 | 169.6 | 114.8 | 0 | 0 | 110 | Q812 | E810-Q812 PolarHBondContact O-N 3.38Š|
| 811 | L | 28.7 | Very low | 29.9 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 65.3 | -29.3 | 175.9 | -55.9 | 170.8 | 0 | 0 | 0 | 117.8 | ||
| 812 | Q | 28.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 52% | 0.523 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -71.1 | -41 | -175.6 | -167.7 | 74.5 | 68.5 | 0 | 0 | 113.4 | N809 E810 M814 L815 T816 | N809-Q812 HydrophobicContact CB-CB 4.27Å; E810-Q812 PolarHBondContact O-N 3.38Å; Q812-M814 PolarHBondContact O-N 2.99Å; Q812-L815 PolarHBondContact O-N 3.19Å; Q812-T816 PolarHBondContact NE2-OG1 3.08Å; Q812-T816 PolarHBondContact O-OG1 3.26Å |
| 813 | E | 37.4 | Very low | 29.9 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -13.6 | -177.7 | -164.3 | 150.9 | -132.9 | 0 | 0 | 112.7 | L815 | E813-L815 VanDerWaalsContact C-N 3.34Š|
| 814 | M | 34.5 | Very low | 29.8 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 77% | 0.768 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -10.6 | 175.3 | -155.3 | -174.2 | -62.2 | 0 | 0 | 113.5 | Q812 | Q812-M814 PolarHBondContact O-N 2.99Š|
| 815 | L | 30.9 | Very low | 29.8 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 78% | 0.78 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.8 | -7.8 | -169.4 | -121.9 | 80.3 | 0 | 0 | 0 | 116.3 | Q812 E813 | Q812-L815 PolarHBondContact O-N 3.19Å; E813-L815 VanDerWaalsContact C-N 3.34Å |
| 816 | T | 35.1 | Very low | 29.8 | Very low | 84 Ų | 84 | 143 Ų | 143 | 52% | 0.515 | 71% | 0.712 | S | S | . | * | trans | -132.5 | 29.7 | -158.1 | -22 | 0 | 0 | 0 | 0 | 116.4 | Q812 | Q812-T816 PolarHBondContact NE2-OG1 3.08Å; Q812-T816 PolarHBondContact O-OG1 3.26Å | ||
| 817 | R | 27.8 | Very low | 30 | Very low | 220 Ų | 220 | 139.1 Ų | 139.1 | 83% | 0.83 | 71% | 0.714 | S | S | * | * | trans | -123.1 | 14.3 | 170.6 | -76.3 | -164.4 | -175.6 | -128.5 | 5.4 | 116.2 | ||||
| 818 | Q | 29.2 | Very low | 30.1 | Very low | 88 Ų | 88 | 138.3 Ų | 138.3 | 41% | 0.411 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -75 | 153.3 | 145.8 | -77.2 | -164.1 | -17.2 | 0 | 0 | 109.6 | ||
| 819 | N | 29.9 | Very low | 30 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | 80.2 | 127.2 | 166.8 | -71.9 | -58.8 | 0 | 0 | 0 | 120.8 | ||||
| 820 | L | 29.5 | Very low | 30.1 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | trans | 68.1 | 148.3 | 149.3 | -86 | 77.1 | 0 | 0 | 0 | 119.1 | ||||
| 821 | M | 27.9 | Very low | 30 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 71% | 0.709 | 71% | 0.712 | S | S | * | * | cis | -169.6 | 160.5 | -24.1 | -132.7 | 179.1 | -167 | 0 | 0 | 109.9 | ||||
| 822 | N | 27.5 | Very low | 30 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 63% | 0.626 | 71% | 0.712 | S | S | * | * | trans | 60.7 | 135.4 | 162.7 | -61 | -15.9 | 0 | 0 | 0 | 117.2 | ||||
| 823 | F | 31.3 | Very low | 30 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 82% | 0.816 | 72% | 0.716 | S | S | * | * | -155 | 134.1 | 67.4 | -94.3 | -81.8 | 0 | 0 | 0 | 114.4 | |||||
| 824 | N | 29.1 | Very low | 29.8 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | -9.5 | 133.1 | 153.6 | -49.9 | -24.8 | 0 | 0 | 0 | 119.5 | ||||
| 825 | D | 28.7 | Very low | 29.6 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 88% | 0.882 | 71% | 0.713 | S | S | * | * | trans | -138.6 | 140.3 | 131.6 | -154.4 | 23.8 | 0 | 0 | 0 | 107.8 | ||||
| 826 | P | 29.1 | Very low | 29.6 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | trans | -106.6 | 171.6 | -160.1 | 39.6 | -34.3 | 0 | 0 | 0 | 115.6 | ||||
| 827 | S | 31.2 | Very low | 29.5 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | 82.4 | 119 | -179.8 | -31.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 828 | L | 29.5 | Very low | 29.6 | Very low | 145 Ų | 145 | 135 Ų | 135 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | cis | -133.1 | 132.5 | 2.4 | -69.5 | 162.6 | 0 | 0 | 0 | 107.6 | ||||
| 829 | Q | 25.1 | Very low | 30.1 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | 42.3 | 116 | 98.4 | -58.5 | -179.4 | 2.8 | 0 | 0 | 112.8 | |||||
| 830 | L | 29.2 | Very low | 30.1 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | cis | -142.1 | 132.5 | 36.7 | -70.8 | 160.1 | 0 | 0 | 0 | 114.8 | ||||
| 831 | N | 30.1 | Very low | 30.5 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 67% | 0.674 | 68% | 0.682 | S | S | * | * | trans | 60.3 | 118 | 135.8 | -52.2 | 0.9 | 0 | 0 | 0 | 120.1 | ||||
| 832 | H | 27.4 | Very low | 31.2 | Very low | 158 Ų | 158 | 123.8 Ų | 123.8 | 73% | 0.731 | 66% | 0.662 | S | S | * | * | 66.3 | 125 | 65.1 | -72.8 | -82.9 | 0 | 0 | 0 | 112.7 | |||||
| 833 | D | 30.9 | Very low | 31.8 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 61% | 0.61 | 65% | 0.65 | S | S | * | * | cis | -151.9 | 178.2 | 5.9 | -110.7 | -43.8 | 0 | 0 | 0 | 110.1 | ||||
| 834 | T | 32.1 | Very low | 32 | Very low | 128 Ų | 128 | 118.8 Ų | 118.8 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | cis | -157.5 | 112.6 | 39.4 | -45 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 835 | V | 30.7 | Very low | 32.7 | Very low | 108 Ų | 108 | 117 Ų | 117 | 66% | 0.655 | 63% | 0.63 | S | S | * | * | trans | 34.3 | 121.6 | 130.2 | -172.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 836 | N | 31 | Very low | 33.1 | Very low | 143 Ų | 143 | 116 Ų | 116 | 77% | 0.765 | 62% | 0.618 | S | S | * | * | trans | -25.2 | 140.2 | 156.2 | -43.1 | -24.4 | 0 | 0 | 0 | 120 | ||||
| 837 | Q | 32.5 | Very low | 33.6 | Very low | 171 Ų | 171 | 118 Ų | 118 | 80% | 0.799 | 62% | 0.62 | S | S | * | * | 176.9 | 132.7 | 121.8 | -104.1 | 170.5 | 86 | 0 | 0 | 114.7 | H859 | Q837-H859 PolarHBondContact O-CE1 3.42Š| |||
| 838 | L | 29.9 | Very low | 33.8 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | trans | 179.8 | -176.7 | 139.8 | -99.9 | 159.4 | 0 | 0 | 0 | 106.8 | D842 H859 I861 | L838-D842 HydrophobicContact CB-CB 4.42Å; L838-D842 VanDerWaalsContact CD2-OD2 3.3Å; L838-D842 WeakPolarHBondContact CD2-OD2 3.39Å; L838-H859 WeakPolarHBondContact CD1-ND1 3.36Å; L838-I861 HydrophobicContact CB-CD1 3.3Å | ||
| 839 | S | 39 | Very low | 33.8 | Very low | 53 Ų | 53 | 121.8 Ų | 121.8 | 37% | 0.371 | 62% | 0.621 | S | S | . | * | trans | -107 | 166.2 | -164.2 | 80.6 | 0 | 0 | 0 | 0 | 115.4 | N841 D842 I861 | S839-N841 PolarHBondContact O-N 2.94Å; S839-N841 PolarHBondContact OG-N 2.98Å; S839-D842 WeakPolarHBondContact CA-OD2 3.4Å; S839-D842 VanDerWaalsContact CB-OD2 3.27Å; S839-D842 WeakPolarHBondContact CB-OD2 3.37Å; S839-D842 PolarHBondContact N-OD2 3.41Å; S839-D842 VanDerWaalsContact O-CB 3.31Å; S839-D842 WeakPolarHBondContact O-CB 3.47Å; S839-D842 PolarHBondContact O-N 3.28Å; S839-D842 PolarHBondContact OG-OD2 2.91Å; S839-I861 WeakPolarHBondContact O-CB 3.3Å; S839-I861 VanDerWaalsContact O-CG2 3.32Å; S839-I861 WeakPolarHBondContact O-CG2 3.19Å | ||
| 840 | L | 30.3 | Very low | 34 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 35% | 0.351 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -58.5 | -30.4 | 175.5 | -137.4 | 176.3 | 0 | 0 | 0 | 112.3 | D842 F844 Q862 | L840-D842 PolarHBondContact O-N 3.32Å; L840-F844 PolarHBondContact O-N 3Å; L840-Q862 VanDerWaalsContact CD2-O 3.22Å; L840-Q862 WeakPolarHBondContact CD2-O 3.19Å; L840-Q862 WeakPolarHBondContact CG-O 3.47Å |
| 841 | N | 39 | Very low | 34.2 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 57% | 0.572 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.6 | -14.9 | 172.8 | -102.3 | -5.7 | 0 | 0 | 0 | 113 | S839 F844 N845 | S839-N841 PolarHBondContact O-N 2.94Å; S839-N841 PolarHBondContact OG-N 2.98Å; N841-F844 PolarHBondContact O-N 3.38Å; N841-N845 WeakPolarHBondContact O-CB 3.42Å; N841-N845 PolarHBondContact O-N 3.49Å; N841-N845 PolarHBondContact O-ND2 3.5Å |
| 842 | D | 42 | Very low | 34.2 | Very low | 51 Ų | 51 | 120.1 Ų | 120.1 | 27% | 0.273 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -81.6 | -29.2 | -179.9 | -62.2 | -68.9 | 0 | 0 | 0 | 112.2 | L838 S839 L840 F846 | L838-D842 HydrophobicContact CB-CB 4.42Å; L838-D842 VanDerWaalsContact CD2-OD2 3.3Å; L838-D842 WeakPolarHBondContact CD2-OD2 3.39Å; S839-D842 WeakPolarHBondContact CA-OD2 3.4Å; S839-D842 VanDerWaalsContact CB-OD2 3.27Å; S839-D842 WeakPolarHBondContact CB-OD2 3.37Å; S839-D842 PolarHBondContact N-OD2 3.41Å; S839-D842 VanDerWaalsContact O-CB 3.31Å; S839-D842 WeakPolarHBondContact O-CB 3.47Å; S839-D842 PolarHBondContact O-N 3.28Å; S839-D842 PolarHBondContact OG-OD2 2.91Å; L840-D842 PolarHBondContact O-N 3.32Å; D842-F846 WeakPolarHBondContact O-CB 3.49Å; D842-F846 PolarHBondContact O-N 3.02Å |
| 843 | V | 40.5 | Very low | 34.6 | Very low | 62 Ų | 62 | 116.6 Ų | 116.6 | 38% | 0.376 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.7 | -43.7 | 160.6 | 158.6 | 0 | 0 | 0 | 0 | 110.9 | N845 F846 M847 N860 I861 | V843-N845 PolarHBondContact O-N 2.94Å; V843-F846 WeakPolarHBondContact O-CB 3.34Å; V843-F846 PolarHBondContact O-N 3.35Å; V843-F846 VanDerWaalsContact O-N 3.12Å; V843-M847 PolarHBondContact O-N 3.46Å; V843-N860 VanDerWaalsContact CG2-C 3.47Å; V843-N860 WeakPolarHBondContact CG2-O 3.42Å; V843-I861 VanDerWaalsContact CB-O 3.3Å; V843-I861 WeakPolarHBondContact CB-O 3.41Å; V843-I861 WeakPolarHBondContact CG2-O 3.27Å |
| 844 | F | 35.3 | Very low | 35.1 | Very low | 136 Ų | 136 | 117.5 Ų | 117.5 | 60% | 0.596 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.9 | -21.5 | -178.7 | -140.1 | -94.8 | 0 | 0 | 0 | 113.1 | L840 N841 M847 | L840-F844 PolarHBondContact O-N 3Å; N841-F844 PolarHBondContact O-N 3.38Å; F844-M847 HydrophobicContact CZ-SD 4.45Å; F844-M847 WeakPolarHBondContact O-CB 3.46Å |
| 845 | N | 43.5 | Very low | 35.5 | Very low | 100 Ų | 100 | 114.9 Ų | 114.9 | 54% | 0.535 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -93.4 | -20.3 | 170.4 | -74.9 | -67.9 | 0 | 0 | 0 | 114 | N841 V843 M847 K848 | N841-N845 WeakPolarHBondContact O-CB 3.42Å; N841-N845 PolarHBondContact O-N 3.49Å; N841-N845 PolarHBondContact O-ND2 3.5Å; V843-N845 PolarHBondContact O-N 2.94Å; N845-M847 PolarHBondContact O-N 3.1Å; N845-K848 PolarHBondContact O-N 3.34Å |
| 846 | F | 36 | Very low | 35.5 | Very low | 143 Ų | 143 | 113 Ų | 113 | 63% | 0.627 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.5 | -21.4 | 161 | -156.1 | -98.9 | 0 | 0 | 0 | 111.2 | D842 V843 K848 H859 | D842-F846 WeakPolarHBondContact O-CB 3.49Å; D842-F846 PolarHBondContact O-N 3.02Å; V843-F846 WeakPolarHBondContact O-CB 3.34Å; V843-F846 PolarHBondContact O-N 3.35Å; V843-F846 VanDerWaalsContact O-N 3.12Å; F846-K848 VanDerWaalsContact C-N 3.27Å; F846-K848 PolarHBondContact O-N 2.96Å; F846-H859 WeakPolarHBondContact CD2-O 3.37Å; F846-H859 WeakPolarHBondContact CE2-O 3.47Å; F846-H859 WeakPolarHBondContact CG-O 3.43Å |
| 847 | M | 40.2 | Very low | 35.3 | Very low | 145 Ų | 145 | 110 Ų | 110 | 71% | 0.714 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -0.7 | 170.9 | -145.6 | -175.5 | -163.3 | 0 | 0 | 115.3 | V843 F844 N845 | V843-M847 PolarHBondContact O-N 3.46Å; F844-M847 HydrophobicContact CZ-SD 4.45Å; F844-M847 WeakPolarHBondContact O-CB 3.46Å; N845-M847 PolarHBondContact O-N 3.1Å |
| 848 | K | 35.3 | Very low | 35 | Very low | 181 Ų | 181 | 109.7 Ų | 109.7 | 79% | 0.787 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144 | -34.3 | -173.5 | -128.4 | 160.9 | -171.1 | 167.1 | 0 | 122.8 | N845 F846 | N845-K848 PolarHBondContact O-N 3.34Å; F846-K848 VanDerWaalsContact C-N 3.27Å; F846-K848 PolarHBondContact O-N 2.96Å |
| 849 | M | 30.7 | Very low | 35.1 | Very low | 156 Ų | 156 | 108 Ų | 108 | 77% | 0.768 | 56% | 0.56 | S | S | * | * | trans | -156.1 | 69.3 | -177.6 | -126.2 | 175.2 | 98.6 | 0 | 0 | 119.7 | ||||
| 850 | K | 28.6 | Very low | 34.6 | Very low | 161 Ų | 161 | 110.8 Ų | 110.8 | 70% | 0.7 | 57% | 0.57 | S | S | * | * | trans | -156.7 | 110 | 143.2 | -114.4 | -178.1 | -179.4 | -177.1 | 0 | 107.9 | ||||
| 851 | Q | 33.3 | Very low | 34.6 | Very low | 135 Ų | 135 | 108.2 Ų | 108.2 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | cis | 68.5 | 155.7 | 31.1 | -140 | -169.1 | 86 | 0 | 0 | 113.9 | ||||
| 852 | L | 31.3 | Very low | 34.2 | Very low | 103 Ų | 103 | 108 Ų | 108 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.9 | 136 | -162.4 | -78.8 | 43.6 | 0 | 0 | 0 | 113.2 | N854 | L852-N854 VanDerWaalsContact CA-C 3.46Å; L852-N854 WeakPolarHBondContact CA-O 3.48Å; L852-N854 HydrophobicContact CB-CB 4.06Å; L852-N854 WeakPolarHBondContact CD1-O 3.13Å; L852-N854 WeakPolarHBondContact CD2-ND2 3.42Å; L852-N854 HydrophobicContact CG-CB 3.87Å; L852-N854 VanDerWaalsContact CG-O 3.25Å; L852-N854 WeakPolarHBondContact CG-O 3.48Å |
| 853 | P | 35.3 | Very low | 33.6 | Very low | 84 Ų | 84 | 112.6 Ų | 112.6 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | -145.9 | 64.5 | 105.9 | 38.2 | -19.9 | 0 | 0 | 0 | 112.9 | T856 | P853-T856 WeakPolarHBondContact CD-OG1 3.14Å; P853-T856 WeakPolarHBondContact CG-OG1 3.49Å | |
| 854 | N | 41.4 | Very low | 33.1 | Very low | 134 Ų | 134 | 114.8 Ų | 114.8 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -103.9 | 16.2 | -2.1 | -78.3 | 48.2 | 0 | 0 | 0 | 113.9 | L852 | L852-N854 VanDerWaalsContact CA-C 3.46Å; L852-N854 WeakPolarHBondContact CA-O 3.48Å; L852-N854 HydrophobicContact CB-CB 4.06Å; L852-N854 WeakPolarHBondContact CD1-O 3.13Å; L852-N854 WeakPolarHBondContact CD2-ND2 3.42Å; L852-N854 HydrophobicContact CG-CB 3.87Å; L852-N854 VanDerWaalsContact CG-O 3.25Å; L852-N854 WeakPolarHBondContact CG-O 3.48Å |
| 855 | A | 40.4 | Very low | 32.9 | Very low | 73 Ų | 73 | 113.3 Ų | 113.3 | 60% | 0.603 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | -170.3 | 134.7 | 127.3 | 0 | 0 | 0 | 0 | 0 | 109 | |||
| 856 | T | 29.4 | Very low | 32.4 | Very low | 67 Ų | 67 | 115 Ų | 115 | 41% | 0.411 | 62% | 0.617 | S | S | . | * | trans | -86.2 | 137.4 | -171.8 | -54.2 | 0 | 0 | 0 | 0 | 113 | P853 | P853-T856 WeakPolarHBondContact CD-OG1 3.14Å; P853-T856 WeakPolarHBondContact CG-OG1 3.49Å | ||
| 857 | S | 27.6 | Very low | 32 | Very low | 80 Ų | 80 | 115.3 Ų | 115.3 | 56% | 0.559 | 63% | 0.625 | S | S | * | * | trans | -22.9 | 156 | 152 | -58.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 858 | Q | 26.5 | Very low | 31.6 | Very low | 166 Ų | 166 | 113.5 Ų | 113.5 | 78% | 0.776 | 63% | 0.627 | S | S | * | * | trans | 61 | 97.7 | 141.7 | -67.5 | 155.5 | -22.2 | 0 | 0 | 117.8 | ||||
| 859 | H | 32.3 | Very low | 31.6 | Very low | 65 Ų | 65 | 110.4 Ų | 110.4 | 30% | 0.301 | 62% | 0.623 | S | S | . | * | 178.2 | 127.1 | 109.6 | -102.8 | -103.4 | 0 | 0 | 0 | 107.5 | Q837 L838 F846 I861 | Q837-H859 PolarHBondContact O-CE1 3.42Å; L838-H859 WeakPolarHBondContact CD1-ND1 3.36Å; F846-H859 WeakPolarHBondContact CD2-O 3.37Å; F846-H859 WeakPolarHBondContact CE2-O 3.47Å; F846-H859 WeakPolarHBondContact CG-O 3.43Å; H859-I861 WeakPolarHBondContact ND1-CD1 3.4Å | |||
| 860 | N | 27.6 | Very low | 31.9 | Very low | 110 Ų | 110 | 108.1 Ų | 108.1 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | cis | 80.1 | 146.5 | 48.1 | -171.9 | 28.3 | 0 | 0 | 0 | 113.2 | V843 | V843-N860 VanDerWaalsContact CG2-C 3.47Å; V843-N860 WeakPolarHBondContact CG2-O 3.42Å | ||
| 861 | I | 31.2 | Very low | 32.7 | Very low | 13 Ų | 13 | 103.4 Ų | 103.4 | 7% | 0.067 | 60% | 0.601 | C | S | . | * | trans | 96.8 | 78.6 | 171.7 | -53.1 | 109.1 | 0 | 0 | 0 | 119.5 | L838 S839 V843 H859 | L838-I861 HydrophobicContact CB-CD1 3.3Å; S839-I861 WeakPolarHBondContact O-CB 3.3Å; S839-I861 VanDerWaalsContact O-CG2 3.32Å; S839-I861 WeakPolarHBondContact O-CG2 3.19Å; V843-I861 VanDerWaalsContact CB-O 3.3Å; V843-I861 WeakPolarHBondContact CB-O 3.41Å; V843-I861 WeakPolarHBondContact CG2-O 3.27Å; H859-I861 WeakPolarHBondContact ND1-CD1 3.4Å | ||
| 862 | Q | 30.4 | Very low | 33.7 | Very low | 102 Ų | 102 | 100.4 Ų | 100.4 | 48% | 0.477 | 59% | 0.593 | S | S | . | * | 83.9 | 121 | 110.9 | -159.9 | 163.2 | 7.2 | 0 | 0 | 122 | L840 | L840-Q862 VanDerWaalsContact CD2-O 3.22Å; L840-Q862 WeakPolarHBondContact CD2-O 3.19Å; L840-Q862 WeakPolarHBondContact CG-O 3.47Å | |||
| 863 | E | 29.3 | Very low | 35.3 | Very low | 148 Ų | 148 | 102.4 Ų | 102.4 | 69% | 0.692 | 60% | 0.599 | S | S | * | * | trans | 30.9 | 119.5 | 140.7 | -53.8 | 169.8 | 124.9 | 0 | 0 | 121.5 | ||||
| 864 | S | 29.8 | Very low | 36.9 | Very low | 109 Ų | 109 | 101.6 Ų | 101.6 | 76% | 0.762 | 60% | 0.596 | S | S | * | * | trans | -149 | 128.1 | 132.4 | 63.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 865 | A | 31.6 | Very low | 38.2 | Very low | 104 Ų | 104 | 99.2 Ų | 99.2 | 86% | 0.86 | 58% | 0.583 | S | S | * | * | trans | -90.3 | 137.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 866 | T | 33.3 | Very low | 39.7 | Very low | 135 Ų | 135 | 98.4 Ų | 98.4 | 83% | 0.828 | 58% | 0.576 | S | S | * | * | trans | -139.8 | 124.3 | 162.4 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 867 | D | 26.8 | Very low | 41.8 | Very low | 150 Ų | 150 | 102.9 Ų | 102.9 | 80% | 0.802 | 59% | 0.587 | S | S | * | * | trans | -64.7 | 175.8 | 161.8 | -68 | -64.4 | 0 | 0 | 0 | 111.2 | ||||
| 868 | S | 31.5 | Very low | 44.1 | Very low | 107 Ų | 107 | 103.3 Ų | 103.3 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 81.9 | 135.4 | 171 | 78.9 | 0 | 0 | 0 | 0 | 118 | ||
| 869 | T | 35 | Very low | 46.1 | Very low | 117 Ų | 117 | 99.8 Ų | 99.8 | 72% | 0.718 | 57% | 0.567 | S | S | * | * | trans | 46.3 | 103 | 164.1 | 54.3 | 0 | 0 | 0 | 0 | 117.8 | D871 | T869-D871 PolarHBondContact O-N 2.81Š| ||
| 870 | T | 36.6 | Very low | 48.3 | Very low | 108 Ų | 108 | 102.6 Ų | 102.6 | 66% | 0.663 | 58% | 0.578 | S | S | * | * | trans | -58.2 | 105.7 | 152.5 | -51.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 871 | D | 45.8 | Very low | 50.6 | Low | 61 Ų | 61 | 101.1 Ų | 101.1 | 33% | 0.326 | 57% | 0.57 | S | S | . | * | trans | -59.9 | 128.6 | -178.4 | 157.3 | 48.6 | 0 | 0 | 0 | 111.4 | T869 Q873 S874 L875 | T869-D871 PolarHBondContact O-N 2.81Å; D871-Q873 PolarHBondContact O-N 3.17Å; D871-Q873 WeakPolarHBondContact OD1-CB 3.42Å; D871-Q873 PolarHBondContact OD1-N 3.31Å; D871-Q873 VanDerWaalsContact OD2-CB 3.22Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.49Å; D871-S874 WeakPolarHBondContact O-CB 3.35Å; D871-S874 PolarHBondContact O-N 3.1Å; D871-S874 VanDerWaalsContact O-N 3.1Å; D871-S874 WeakPolarHBondContact OD2-CB 3.29Å; D871-S874 PolarHBondContact OD2-N 2.76Å; D871-S874 PolarHBondContact OD2-OG 3.45Å; D871-L875 PolarHBondContact O-N 3.1Å | ||
| 872 | P | 54 | Low | 52.4 | Low | 73 Ų | 73 | 105.9 Ų | 105.9 | 47% | 0.474 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.7 | -28.4 | 177.8 | 25.7 | -34.6 | 0 | 0 | 0 | 112.9 | L875 A876 | P872-L875 PolarHBondContact O-N 2.64Å; P872-A876 WeakPolarHBondContact O-CB 3.44Å; P872-A876 PolarHBondContact O-N 3.15Å |
| 873 | Q | 64.7 | Low | 54.7 | Low | 144 Ų | 144 | 105.8 Ų | 105.8 | 67% | 0.673 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.2 | -43.1 | 172.5 | -113.4 | 74.5 | 9 | 0 | 0 | 111.2 | D871 A876 Y877 | D871-Q873 PolarHBondContact O-N 3.17Å; D871-Q873 WeakPolarHBondContact OD1-CB 3.42Å; D871-Q873 PolarHBondContact OD1-N 3.31Å; D871-Q873 VanDerWaalsContact OD2-CB 3.22Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.49Å; Q873-A876 PolarHBondContact O-N 3.13Å; Q873-Y877 WeakPolarHBondContact O-CB 3.49Å; Q873-Y877 PolarHBondContact O-N 2.78Å |
| 874 | S | 69 | Low | 57.1 | Low | 67 Ų | 67 | 102 Ų | 102 | 47% | 0.469 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.2 | -39.8 | 178.4 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | D871 Y877 M878 | D871-S874 WeakPolarHBondContact O-CB 3.35Å; D871-S874 PolarHBondContact O-N 3.1Å; D871-S874 VanDerWaalsContact O-N 3.1Å; D871-S874 WeakPolarHBondContact OD2-CB 3.29Å; D871-S874 PolarHBondContact OD2-N 2.76Å; D871-S874 PolarHBondContact OD2-OG 3.45Å; S874-Y877 PolarHBondContact O-N 3.29Å; S874-M878 PolarHBondContact O-N 3.29Å |
| 875 | L | 69.3 | Low | 59.5 | Low | 85 Ų | 85 | 99.4 Ų | 99.4 | 45% | 0.445 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.8 | -44 | 172 | -169.6 | 73.8 | 0 | 0 | 0 | 111.3 | D871 P872 Y877 M878 L879 | D871-L875 PolarHBondContact O-N 3.1Å; P872-L875 PolarHBondContact O-N 2.64Å; L875-Y877 VanDerWaalsContact C-N 3.32Å; L875-Y877 PolarHBondContact O-N 3.05Å; L875-M878 PolarHBondContact O-N 3.09Å; L875-L879 HydrophobicContact CG-CD1 4.24Å; L875-L879 WeakPolarHBondContact O-CB 3.3Å; L875-L879 PolarHBondContact O-N 2.74Å |
| 876 | A | 71.6 | Confident | 61.7 | Low | 56 Ų | 56 | 98.5 Ų | 98.5 | 46% | 0.463 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P872 Q873 K880 | P872-A876 WeakPolarHBondContact O-CB 3.44Å; P872-A876 PolarHBondContact O-N 3.15Å; Q873-A876 PolarHBondContact O-N 3.13Å; A876-K880 WeakPolarHBondContact O-CB 3.5Å; A876-K880 PolarHBondContact O-N 2.93Å |
| 877 | Y | 75.1 | Confident | 63.9 | Low | 161 Ų | 161 | 95.8 Ų | 95.8 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.1 | -37.4 | 174.1 | -162 | -97.5 | 0 | 0 | 0 | 111.9 | Q873 S874 L875 K880 N881 | Q873-Y877 WeakPolarHBondContact O-CB 3.49Å; Q873-Y877 PolarHBondContact O-N 2.78Å; S874-Y877 PolarHBondContact O-N 3.29Å; L875-Y877 VanDerWaalsContact C-N 3.32Å; L875-Y877 PolarHBondContact O-N 3.05Å; Y877-K880 PolarHBondContact O-N 3.4Å; Y877-N881 WeakPolarHBondContact CD1-ND2 3.43Å; Y877-N881 WeakPolarHBondContact CE1-ND2 3.41Å; Y877-N881 PolarHBondContact O-N 3.09Å; Y877-N881 PolarHBondContact O-ND2 3.32Å |
| 878 | M | 74.5 | Confident | 66.4 | Low | 89 Ų | 89 | 93.3 Ų | 93.3 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -47.4 | 175.3 | -159.8 | -169 | -50.3 | 0 | 0 | 111.8 | S874 L875 K880 N881 Q882 | S874-M878 PolarHBondContact O-N 3.29Å; L875-M878 PolarHBondContact O-N 3.09Å; M878-K880 VanDerWaalsContact C-N 3.31Å; M878-K880 PolarHBondContact O-N 3.04Å; M878-N881 PolarHBondContact O-N 3.14Å; M878-Q882 PolarHBondContact O-N 3.18Å |
| 879 | L | 68 | Low | 68.8 | Low | 91 Ų | 91 | 94.1 Ų | 94.1 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 173.4 | -78.5 | 166.7 | 0 | 0 | 0 | 111.8 | L875 Q882 L883 | L875-L879 HydrophobicContact CG-CD1 4.24Å; L875-L879 WeakPolarHBondContact O-CB 3.3Å; L875-L879 PolarHBondContact O-N 2.74Å; L879-Q882 PolarHBondContact O-N 3.08Å; L879-L883 WeakPolarHBondContact O-CB 3.1Å; L879-L883 PolarHBondContact O-N 2.79Å |
| 880 | K | 80 | Confident | 70.8 | Confident | 124 Ų | 124 | 92 Ų | 92 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 175.3 | -178.3 | 161.6 | -176.5 | 168.2 | 0 | 112.1 | A876 Y877 M878 Q882 L883 D884 | A876-K880 WeakPolarHBondContact O-CB 3.5Å; A876-K880 PolarHBondContact O-N 2.93Å; Y877-K880 PolarHBondContact O-N 3.4Å; M878-K880 VanDerWaalsContact C-N 3.31Å; M878-K880 PolarHBondContact O-N 3.04Å; K880-Q882 VanDerWaalsContact C-N 3.29Å; K880-Q882 PolarHBondContact O-N 2.86Å; K880-L883 PolarHBondContact O-N 2.88Å; K880-D884 WeakPolarHBondContact CE-OD2 3.31Å; K880-D884 WeakPolarHBondContact CG-OD2 3.14Å; K880-D884 WeakPolarHBondContact O-CB 3.43Å; K880-D884 PolarHBondContact O-N 3.41Å |
| 881 | N | 76.3 | Confident | 72.9 | Confident | 80 Ų | 80 | 93.4 Ų | 93.4 | 43% | 0.428 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -34.8 | 174.8 | -72.8 | -46.8 | 0 | 0 | 0 | 112.4 | Y877 M878 A885 | Y877-N881 WeakPolarHBondContact CD1-ND2 3.43Å; Y877-N881 WeakPolarHBondContact CE1-ND2 3.41Å; Y877-N881 PolarHBondContact O-N 3.09Å; Y877-N881 PolarHBondContact O-ND2 3.32Å; M878-N881 PolarHBondContact O-N 3.14Å; N881-A885 VanDerWaalsContact O-CB 3.29Å; N881-A885 WeakPolarHBondContact O-CB 3.22Å; N881-A885 PolarHBondContact O-N 3.07Å |
| 882 | Q | 67.2 | Low | 74.7 | Confident | 112 Ų | 112 | 96.5 Ų | 96.5 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 172.9 | -74.7 | -175.7 | -26.5 | 0 | 0 | 112.2 | M878 L879 K880 A885 I886 | M878-Q882 PolarHBondContact O-N 3.18Å; L879-Q882 PolarHBondContact O-N 3.08Å; K880-Q882 VanDerWaalsContact C-N 3.29Å; K880-Q882 PolarHBondContact O-N 2.86Å; Q882-A885 PolarHBondContact O-N 2.79Å; Q882-I886 WeakPolarHBondContact O-CB 3.38Å; Q882-I886 VanDerWaalsContact O-CG1 3.27Å; Q882-I886 WeakPolarHBondContact O-CG1 3.4Å; Q882-I886 PolarHBondContact O-N 2.7Å |
| 883 | L | 78.9 | Confident | 75.7 | Confident | 100 Ų | 100 | 97.8 Ų | 97.8 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 173.4 | -82.3 | 163.8 | 0 | 0 | 0 | 112 | L879 K880 A885 I886 N887 | L879-L883 WeakPolarHBondContact O-CB 3.1Å; L879-L883 PolarHBondContact O-N 2.79Å; K880-L883 PolarHBondContact O-N 2.88Å; L883-A885 VanDerWaalsContact C-N 3.35Å; L883-I886 PolarHBondContact O-N 2.99Å; L883-N887 VanDerWaalsContact O-CB 3.26Å; L883-N887 WeakPolarHBondContact O-CB 3.41Å; L883-N887 PolarHBondContact O-N 3.1Å; L883-N887 PolarHBondContact O-ND2 2.67Å |
| 884 | D | 80.1 | Confident | 76.2 | Confident | 68 Ų | 68 | 96.7 Ų | 96.7 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.7 | -33 | 177.8 | -71.9 | -26.3 | 0 | 0 | 0 | 111.4 | K880 N888 | K880-D884 WeakPolarHBondContact CE-OD2 3.31Å; K880-D884 WeakPolarHBondContact CG-OD2 3.14Å; K880-D884 WeakPolarHBondContact O-CB 3.43Å; K880-D884 PolarHBondContact O-N 3.41Å; D884-N888 WeakPolarHBondContact O-CB 3.3Å; D884-N888 PolarHBondContact O-N 3.25Å; D884-N888 VanDerWaalsContact O-N 3.08Å; D884-N888 PolarHBondContact O-ND2 2.85Å |
| 885 | A | 80.9 | Confident | 76.7 | Confident | 55 Ų | 55 | 99.8 Ų | 99.8 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -49.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N881 Q882 L883 N887 N888 E889 | N881-A885 VanDerWaalsContact O-CB 3.29Å; N881-A885 WeakPolarHBondContact O-CB 3.22Å; N881-A885 PolarHBondContact O-N 3.07Å; Q882-A885 PolarHBondContact O-N 2.79Å; L883-A885 VanDerWaalsContact C-N 3.35Å; A885-N887 VanDerWaalsContact C-N 3.33Å; A885-N887 PolarHBondContact O-N 2.82Å; A885-N888 PolarHBondContact O-N 3.38Å; A885-N888 VanDerWaalsContact O-N 3.12Å; A885-E889 PolarHBondContact O-N 2.76Å |
| 886 | I | 76.4 | Confident | 77.3 | Confident | 85 Ų | 85 | 102 Ų | 102 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 177.4 | -69.6 | 164.3 | 0 | 0 | 0 | 110.9 | Q882 L883 N888 E889 I890 | Q882-I886 WeakPolarHBondContact O-CB 3.38Å; Q882-I886 VanDerWaalsContact O-CG1 3.27Å; Q882-I886 WeakPolarHBondContact O-CG1 3.4Å; Q882-I886 PolarHBondContact O-N 2.7Å; L883-I886 PolarHBondContact O-N 2.99Å; I886-N888 VanDerWaalsContact C-N 3.31Å; I886-N888 PolarHBondContact O-N 3.28Å; I886-E889 PolarHBondContact O-N 2.86Å; I886-I890 HydrophobicContact CG2-CD1 3.74Å; I886-I890 HydrophobicContact CG2-CG1 4.35Å; I886-I890 WeakPolarHBondContact O-CB 3.37Å; I886-I890 VanDerWaalsContact O-CG1 3.27Å; I886-I890 WeakPolarHBondContact O-CG1 3.44Å; I886-I890 PolarHBondContact O-N 3.49Å |
| 887 | N | 80.5 | Confident | 77.7 | Confident | 79 Ų | 79 | 104.5 Ų | 104.5 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -32.8 | 176.1 | -75.6 | -34.6 | 0 | 0 | 0 | 112.6 | L883 A885 K891 | L883-N887 VanDerWaalsContact O-CB 3.26Å; L883-N887 WeakPolarHBondContact O-CB 3.41Å; L883-N887 PolarHBondContact O-N 3.1Å; L883-N887 PolarHBondContact O-ND2 2.67Å; A885-N887 VanDerWaalsContact C-N 3.33Å; A885-N887 PolarHBondContact O-N 2.82Å; N887-K891 WeakPolarHBondContact O-CB 3.4Å; N887-K891 WeakPolarHBondContact O-CG 3.34Å; N887-K891 PolarHBondContact O-N 2.81Å |
| 888 | N | 79.3 | Confident | 78 | Confident | 97 Ų | 97 | 99.4 Ų | 99.4 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.9 | -36.9 | 173.6 | -76.5 | -51 | 0 | 0 | 0 | 112.2 | D884 A885 I886 K891 L892 | D884-N888 WeakPolarHBondContact O-CB 3.3Å; D884-N888 PolarHBondContact O-N 3.25Å; D884-N888 VanDerWaalsContact O-N 3.08Å; D884-N888 PolarHBondContact O-ND2 2.85Å; A885-N888 PolarHBondContact O-N 3.38Å; A885-N888 VanDerWaalsContact O-N 3.12Å; I886-N888 VanDerWaalsContact C-N 3.31Å; I886-N888 PolarHBondContact O-N 3.28Å; N888-K891 PolarHBondContact O-N 3.43Å; N888-L892 PolarHBondContact O-N 3.34Å |
| 889 | E | 81.8 | Confident | 78.2 | Confident | 124 Ų | 124 | 98.1 Ų | 98.1 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 173.2 | -171.5 | 167.7 | -155.6 | 0 | 0 | 111.3 | A885 I886 K891 L892 I893 | A885-E889 PolarHBondContact O-N 2.76Å; I886-E889 PolarHBondContact O-N 2.86Å; E889-K891 VanDerWaalsContact C-N 3.31Å; E889-K891 PolarHBondContact O-N 3.29Å; E889-L892 WeakPolarHBondContact O-CB 3.48Å; E889-L892 PolarHBondContact O-N 3.31Å; E889-L892 VanDerWaalsContact O-N 3.15Å; E889-I893 HydrophobicContact CG-CD1 4.09Å; E889-I893 WeakPolarHBondContact O-CG1 3.46Å; E889-I893 PolarHBondContact O-N 3.43Å |
| 890 | I | 76.4 | Confident | 78.5 | Confident | 73 Ų | 73 | 97.6 Ų | 97.6 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 171.4 | -70.6 | 168.9 | 0 | 0 | 0 | 111.1 | I886 I893 Q894 | I886-I890 HydrophobicContact CG2-CD1 3.74Å; I886-I890 HydrophobicContact CG2-CG1 4.35Å; I886-I890 WeakPolarHBondContact O-CB 3.37Å; I886-I890 VanDerWaalsContact O-CG1 3.27Å; I886-I890 WeakPolarHBondContact O-CG1 3.44Å; I886-I890 PolarHBondContact O-N 3.49Å; I890-I893 PolarHBondContact O-N 3.43Å; I890-Q894 HydrophobicContact CG2-CG 4.35Å; I890-Q894 WeakPolarHBondContact O-CB 3.39Å; I890-Q894 VanDerWaalsContact O-CG 3.24Å; I890-Q894 WeakPolarHBondContact O-CG 3.26Å; I890-Q894 PolarHBondContact O-N 2.95Å |
| 891 | K | 82.2 | Confident | 78.3 | Confident | 138 Ų | 138 | 96.3 Ų | 96.3 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 174.1 | -84.2 | 179.8 | 175.8 | 178.9 | 0 | 113.2 | N887 N888 E889 Q894 H895 | N887-K891 WeakPolarHBondContact O-CB 3.4Å; N887-K891 WeakPolarHBondContact O-CG 3.34Å; N887-K891 PolarHBondContact O-N 2.81Å; N888-K891 PolarHBondContact O-N 3.43Å; E889-K891 VanDerWaalsContact C-N 3.31Å; E889-K891 PolarHBondContact O-N 3.29Å; K891-Q894 PolarHBondContact O-N 3.46Å; K891-H895 WeakPolarHBondContact O-CB 3.4Å; K891-H895 PolarHBondContact O-N 3.48Å |
| 892 | L | 82.5 | Confident | 78.3 | Confident | 125 Ų | 125 | 98.9 Ų | 98.9 | 65% | 0.654 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -47.8 | 173.5 | -94.8 | 157.2 | 0 | 0 | 0 | 111 | N888 E889 Q894 H895 E896 | N888-L892 PolarHBondContact O-N 3.34Å; E889-L892 WeakPolarHBondContact O-CB 3.48Å; E889-L892 PolarHBondContact O-N 3.31Å; E889-L892 VanDerWaalsContact O-N 3.15Å; L892-Q894 VanDerWaalsContact C-N 3.33Å; L892-Q894 PolarHBondContact O-N 2.98Å; L892-H895 PolarHBondContact O-N 2.87Å; L892-E896 WeakPolarHBondContact O-CB 3.38Å; L892-E896 PolarHBondContact O-N 2.9Å |
| 893 | I | 74.2 | Confident | 78.5 | Confident | 100 Ų | 100 | 98 Ų | 98 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 175.7 | -66.7 | 164.6 | 0 | 0 | 0 | 111.3 | E889 I890 E896 K897 | E889-I893 HydrophobicContact CG-CD1 4.09Å; E889-I893 WeakPolarHBondContact O-CG1 3.46Å; E889-I893 PolarHBondContact O-N 3.43Å; I890-I893 PolarHBondContact O-N 3.43Å; I893-E896 PolarHBondContact O-N 2.94Å; I893-K897 VanDerWaalsContact O-CB 3.3Å; I893-K897 WeakPolarHBondContact O-CB 3.48Å; I893-K897 PolarHBondContact O-N 2.83Å |
| 894 | Q | 76.6 | Confident | 78.1 | Confident | 122 Ų | 122 | 95.7 Ų | 95.7 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.1 | -37.4 | 175.2 | -77.1 | 175.4 | -2.1 | 0 | 0 | 112.5 | I890 K891 L892 A898 | I890-Q894 HydrophobicContact CG2-CG 4.35Å; I890-Q894 WeakPolarHBondContact O-CB 3.39Å; I890-Q894 VanDerWaalsContact O-CG 3.24Å; I890-Q894 WeakPolarHBondContact O-CG 3.26Å; I890-Q894 PolarHBondContact O-N 2.95Å; K891-Q894 PolarHBondContact O-N 3.46Å; L892-Q894 VanDerWaalsContact C-N 3.33Å; L892-Q894 PolarHBondContact O-N 2.98Å; Q894-A898 WeakPolarHBondContact O-CB 3.2Å; Q894-A898 PolarHBondContact O-N 3.27Å |
| 895 | H | 79.7 | Confident | 77.8 | Confident | 132 Ų | 132 | 97 Ų | 97 | 61% | 0.611 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.1 | -41.7 | 174 | -174.2 | -71.6 | 0 | 0 | 0 | 111.4 | K891 L892 A898 T899 | K891-H895 WeakPolarHBondContact O-CB 3.4Å; K891-H895 PolarHBondContact O-N 3.48Å; L892-H895 PolarHBondContact O-N 2.87Å; H895-A898 PolarHBondContact O-N 3.44Å; H895-T899 PolarHBondContact CE1-OG1 3.45Å; H895-T899 PolarHBondContact ND1-OG1 3.42Å; H895-T899 WeakPolarHBondContact O-CB 3.4Å; H895-T899 PolarHBondContact O-N 2.78Å; H895-T899 PolarHBondContact O-OG1 3.24Å |
| 896 | E | 80.3 | Confident | 77.2 | Confident | 130 Ų | 130 | 97.2 Ų | 97.2 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.8 | -39.4 | 175.2 | -171.7 | 168.3 | -151.1 | 0 | 0 | 111.3 | L892 I893 T899 T900 | L892-E896 WeakPolarHBondContact O-CB 3.38Å; L892-E896 PolarHBondContact O-N 2.9Å; I893-E896 PolarHBondContact O-N 2.94Å; E896-T899 PolarHBondContact O-N 3.46Å; E896-T900 WeakPolarHBondContact O-CB 3.14Å; E896-T900 WeakPolarHBondContact O-CG2 3.28Å; E896-T900 PolarHBondContact O-N 3.08Å; E896-T900 PolarHBondContact O-OG1 3.45Å |
| 897 | K | 80.7 | Confident | 76.6 | Confident | 110 Ų | 110 | 97.5 Ų | 97.5 | 48% | 0.478 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59 | -53.3 | 168.6 | -175.9 | -178.5 | 180 | -77.1 | 0 | 110.9 | I893 T899 T900 E901 | I893-K897 VanDerWaalsContact O-CB 3.3Å; I893-K897 WeakPolarHBondContact O-CB 3.48Å; I893-K897 PolarHBondContact O-N 2.83Å; K897-T899 PolarHBondContact O-N 3.27Å; K897-T900 WeakPolarHBondContact CA-OG1 3.42Å; K897-T900 PolarHBondContact O-N 2.77Å; K897-T900 PolarHBondContact O-OG1 3.27Å; K897-T900 VanDerWaalsContact O-OG1 3.05Å; K897-E901 IonicContact NZ-OE1 3.8Å; K897-E901 PolarHBondContact NZ-OE1 2.9Å; K897-E901 IonicContact NZ-OE2 2.72Å; K897-E901 PolarHBondContact NZ-OE2 2.74Å; K897-E901 WeakPolarHBondContact O-CB 3.45Å; K897-E901 PolarHBondContact O-N 2.82Å |
| 898 | A | 81 | Confident | 75.3 | Confident | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -35.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q894 H895 M902 | Q894-A898 WeakPolarHBondContact O-CB 3.2Å; Q894-A898 PolarHBondContact O-N 3.27Å; H895-A898 PolarHBondContact O-N 3.44Å; A898-M902 VanDerWaalsContact O-CB 3.26Å; A898-M902 WeakPolarHBondContact O-CB 3.47Å; A898-M902 PolarHBondContact O-N 2.98Å |
| 899 | T | 79.8 | Confident | 74.4 | Confident | 61 Ų | 61 | 98.9 Ų | 98.9 | 37% | 0.374 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 176.1 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | H895 E896 K897 L903 | H895-T899 PolarHBondContact CE1-OG1 3.45Å; H895-T899 PolarHBondContact ND1-OG1 3.42Å; H895-T899 WeakPolarHBondContact O-CB 3.4Å; H895-T899 PolarHBondContact O-N 2.78Å; H895-T899 PolarHBondContact O-OG1 3.24Å; E896-T899 PolarHBondContact O-N 3.46Å; K897-T899 PolarHBondContact O-N 3.27Å; T899-L903 WeakPolarHBondContact O-CB 3.32Å; T899-L903 PolarHBondContact O-N 3.13Å |
| 900 | T | 74 | Confident | 73.1 | Confident | 80 Ų | 80 | 99.9 Ų | 99.9 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.8 | -30.2 | 178 | 46.9 | 0 | 0 | 0 | 0 | 113.1 | E896 K897 L903 A904 | E896-T900 WeakPolarHBondContact O-CB 3.14Å; E896-T900 WeakPolarHBondContact O-CG2 3.28Å; E896-T900 PolarHBondContact O-N 3.08Å; E896-T900 PolarHBondContact O-OG1 3.45Å; K897-T900 WeakPolarHBondContact CA-OG1 3.42Å; K897-T900 PolarHBondContact O-N 2.77Å; K897-T900 PolarHBondContact O-OG1 3.27Å; K897-T900 VanDerWaalsContact O-OG1 3.05Å; T900-L903 PolarHBondContact O-N 2.74Å; T900-A904 VanDerWaalsContact O-CB 3.28Å; T900-A904 WeakPolarHBondContact O-CB 3.45Å; T900-A904 PolarHBondContact O-N 3.43Å |
| 901 | E | 75.7 | Confident | 71.5 | Confident | 97 Ų | 97 | 103.9 Ų | 103.9 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.9 | -42.6 | 172.5 | -165.4 | 157.7 | -126.9 | 0 | 0 | 110.4 | K897 L903 A904 D905 | K897-E901 IonicContact NZ-OE1 3.8Å; K897-E901 PolarHBondContact NZ-OE1 2.9Å; K897-E901 IonicContact NZ-OE2 2.72Å; K897-E901 PolarHBondContact NZ-OE2 2.74Å; K897-E901 WeakPolarHBondContact O-CB 3.45Å; K897-E901 PolarHBondContact O-N 2.82Å; E901-L903 PolarHBondContact O-N 2.86Å; E901-A904 WeakPolarHBondContact O-CB 3.31Å; E901-A904 PolarHBondContact O-N 3.03Å; E901-D905 PolarHBondContact O-N 3.05Å |
| 902 | M | 75.8 | Confident | 69.5 | Low | 134 Ų | 134 | 99 Ų | 99 | 66% | 0.66 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.5 | -31.4 | 171.7 | -163.9 | -176 | 76.7 | 0 | 0 | 112.9 | A898 D905 E906 | A898-M902 VanDerWaalsContact O-CB 3.26Å; A898-M902 WeakPolarHBondContact O-CB 3.47Å; A898-M902 PolarHBondContact O-N 2.98Å; M902-D905 PolarHBondContact O-N 3.13Å; M902-E906 PolarHBondContact O-N 3.47Å |
| 903 | L | 72.8 | Confident | 67.4 | Low | 93 Ų | 93 | 98.6 Ų | 98.6 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.8 | -35.5 | 171.4 | -121.5 | 169.3 | 0 | 0 | 0 | 111.9 | T899 T900 E901 E906 L907 | T899-L903 WeakPolarHBondContact O-CB 3.32Å; T899-L903 PolarHBondContact O-N 3.13Å; T900-L903 PolarHBondContact O-N 2.74Å; E901-L903 PolarHBondContact O-N 2.86Å; L903-E906 PolarHBondContact O-N 2.92Å; L903-L907 WeakPolarHBondContact O-CB 3.41Å; L903-L907 WeakPolarHBondContact O-CG 3.29Å; L903-L907 PolarHBondContact O-N 3.14Å |
| 904 | A | 70.4 | Confident | 65.5 | Low | 52 Ų | 52 | 99.4 Ų | 99.4 | 43% | 0.43 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T900 E901 L907 K908 | T900-A904 VanDerWaalsContact O-CB 3.28Å; T900-A904 WeakPolarHBondContact O-CB 3.45Å; T900-A904 PolarHBondContact O-N 3.43Å; E901-A904 WeakPolarHBondContact O-CB 3.31Å; E901-A904 PolarHBondContact O-N 3.03Å; A904-L907 PolarHBondContact O-N 3.13Å; A904-K908 WeakPolarHBondContact O-CB 3.14Å; A904-K908 PolarHBondContact O-N 2.96Å |
| 905 | D | 72.1 | Confident | 63.4 | Low | 97 Ų | 97 | 100.3 Ų | 100.3 | 52% | 0.519 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.1 | -33.4 | 173.8 | -80.1 | -24.4 | 0 | 0 | 0 | 113.1 | E901 M902 K908 G909 | E901-D905 PolarHBondContact O-N 3.05Å; M902-D905 PolarHBondContact O-N 3.13Å; D905-K908 PolarHBondContact O-N 3.21Å; D905-G909 PolarHBondContact O-N 2.94Å |
| 906 | E | 69.6 | Low | 61.4 | Low | 59 Ų | 59 | 101.4 Ų | 101.4 | 28% | 0.276 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 169 | -178.3 | 169.1 | -165.6 | 0 | 0 | 111 | M902 L903 G909 R910 A968 | M902-E906 PolarHBondContact O-N 3.47Å; L903-E906 PolarHBondContact O-N 2.92Å; E906-G909 PolarHBondContact O-N 2.81Å; E906-R910 HydrophobicContact CG-CG 4.39Å; E906-R910 WeakPolarHBondContact O-CB 3.38Å; E906-R910 VanDerWaalsContact O-CG 3.25Å; E906-R910 WeakPolarHBondContact O-CG 3.27Å; E906-R910 PolarHBondContact O-N 3.11Å; E906-R910 IonicContact OE1-CZ 3.6Å; E906-R910 VanDerWaalsContact OE1-CZ 3.26Å; E906-R910 IonicContact OE1-NE 3.48Å; E906-R910 PolarHBondContact OE1-NE 3.45Å; E906-R910 IonicContact OE1-NH2 2.85Å; E906-R910 PolarHBondContact OE1-NH2 3.04Å; E906-A968 WeakPolarHBondContact OE1-CB 3.29Å; E906-A968 PolarHBondContact OE1-N 3.14Å |
| 907 | L | 63 | Low | 58.9 | Low | 91 Ų | 91 | 101.2 Ų | 101.2 | 48% | 0.476 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.9 | -41 | 172.4 | -77.9 | 165 | 0 | 0 | 0 | 111.8 | L903 A904 G909 R910 F911 | L903-L907 WeakPolarHBondContact O-CB 3.41Å; L903-L907 WeakPolarHBondContact O-CG 3.29Å; L903-L907 PolarHBondContact O-N 3.14Å; A904-L907 PolarHBondContact O-N 3.13Å; L907-G909 VanDerWaalsContact C-N 3.34Å; L907-G909 PolarHBondContact O-N 2.86Å; L907-R910 CarbonylContact O-C 3.39Å; L907-R910 PolarHBondContact O-N 3.34Å; L907-F911 HydrophobicContact CD2-CE2 4.38Å; L907-F911 WeakPolarHBondContact O-CD2 3.33Å; L907-F911 PolarHBondContact O-N 3.42Å |
| 908 | K | 54.2 | Low | 56.6 | Low | 152 Ų | 152 | 102.1 Ų | 102.1 | 66% | 0.661 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -34.5 | 177.3 | -162.9 | 174.5 | -177.6 | -176.8 | 0 | 111.9 | A904 D905 G912 | A904-K908 WeakPolarHBondContact O-CB 3.14Å; A904-K908 PolarHBondContact O-N 2.96Å; D905-K908 PolarHBondContact O-N 3.21Å; K908-G912 VanDerWaalsContact O-CA 3.29Å; K908-G912 WeakPolarHBondContact O-CA 3.48Å; K908-G912 PolarHBondContact O-N 2.73Å |
| 909 | G | 59.8 | Low | 54.3 | Low | 52 Ų | 52 | 108.5 Ų | 108.5 | 54% | 0.536 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.6 | -36.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D905 E906 L907 | D905-G909 PolarHBondContact O-N 2.94Å; E906-G909 PolarHBondContact O-N 2.81Å; L907-G909 VanDerWaalsContact C-N 3.34Å; L907-G909 PolarHBondContact O-N 2.86Å |
| 910 | R | 53.6 | Low | 52.3 | Low | 145 Ų | 145 | 112.4 Ų | 112.4 | 55% | 0.547 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -77.3 | -18.5 | 177.5 | -74.4 | 174.5 | 179.6 | -82.4 | -16.9 | 114.5 | E906 L907 A968 | E906-R910 HydrophobicContact CG-CG 4.39Å; E906-R910 WeakPolarHBondContact O-CB 3.38Å; E906-R910 VanDerWaalsContact O-CG 3.25Å; E906-R910 WeakPolarHBondContact O-CG 3.27Å; E906-R910 PolarHBondContact O-N 3.11Å; E906-R910 IonicContact OE1-CZ 3.6Å; E906-R910 VanDerWaalsContact OE1-CZ 3.26Å; E906-R910 IonicContact OE1-NE 3.48Å; E906-R910 PolarHBondContact OE1-NE 3.45Å; E906-R910 IonicContact OE1-NH2 2.85Å; E906-R910 PolarHBondContact OE1-NH2 3.04Å; L907-R910 CarbonylContact O-C 3.39Å; L907-R910 PolarHBondContact O-N 3.34Å; R910-A968 VanDerWaalsContact CZ-CB 3.46Å |
| 911 | F | 43.4 | Very low | 50.3 | Low | 157 Ų | 157 | 115.8 Ų | 115.8 | 69% | 0.689 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -105.2 | -11.9 | 171.3 | -80 | -84.9 | 0 | 0 | 0 | 113.5 | L907 T913 | L907-F911 HydrophobicContact CD2-CE2 4.38Å; L907-F911 WeakPolarHBondContact O-CD2 3.33Å; L907-F911 PolarHBondContact O-N 3.42Å; F911-T913 PolarHBondContact O-N 2.98Å; F911-T913 VanDerWaalsContact O-N 3.08Å |
| 912 | G | 40.5 | Very low | 48.2 | Very low | 37 Ų | 37 | 118.5 Ų | 118.5 | 38% | 0.381 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | 29.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | K908 | K908-G912 VanDerWaalsContact O-CA 3.29Å; K908-G912 WeakPolarHBondContact O-CA 3.48Å; K908-G912 PolarHBondContact O-N 2.73Å |
| 913 | T | 38.3 | Very low | 46 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 71% | 0.712 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 33.3 | 174.8 | 67.2 | 0 | 0 | 0 | 0 | 112.8 | F911 | F911-T913 PolarHBondContact O-N 2.98Å; F911-T913 VanDerWaalsContact O-N 3.08Å |
| 914 | T | 34.9 | Very low | 43.9 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | trans | -145 | 57.2 | 162.4 | 21.9 | 0 | 0 | 0 | 0 | 109.5 | I916 | T914-I916 PolarHBondContact O-N 3.09Š| ||
| 915 | D | 31 | Very low | 42.1 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 75% | 0.749 | 67% | 0.666 | S | S | * | * | trans | -68.5 | 89.9 | 176.9 | -75.6 | -56.5 | 0 | 0 | 0 | 111.8 | N917 | D915-N917 PolarHBondContact O-N 3.28Å; D915-N917 VanDerWaalsContact O-N 3.1Å | ||
| 916 | I | 38.3 | Very low | 40 | Very low | 156 Ų | 156 | 132.8 Ų | 132.8 | 80% | 0.8 | 69% | 0.686 | S | S | * | * | trans | -84.9 | 65.5 | 159.7 | -53.6 | -174.9 | 0 | 0 | 0 | 108.6 | T914 V918 | T914-I916 PolarHBondContact O-N 3.09Å; I916-V918 WeakPolarHBondContact O-CG2 3.48Å; I916-V918 PolarHBondContact O-N 3.12Å | ||
| 917 | N | 28.8 | Very low | 38.1 | Very low | 126 Ų | 126 | 136 Ų | 136 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | trans | 32.1 | 71.7 | 144.5 | -165.3 | 13 | 0 | 0 | 0 | 118.1 | D915 | D915-N917 PolarHBondContact O-N 3.28Å; D915-N917 VanDerWaalsContact O-N 3.1Å | ||
| 918 | V | 31.4 | Very low | 36.4 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | trans | -124 | 41.9 | 161.7 | -160.1 | 0 | 0 | 0 | 0 | 110.8 | I916 | I916-V918 WeakPolarHBondContact O-CG2 3.48Å; I916-V918 PolarHBondContact O-N 3.12Å | ||
| 919 | H | 32.6 | Very low | 35.2 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.875 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -138.7 | 29.9 | 175.7 | -103.9 | 57.7 | 0 | 0 | 0 | 113.3 | ||
| 920 | N | 37.9 | Very low | 33.7 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -135.6 | 21.3 | 166.7 | -153.2 | 22.5 | 0 | 0 | 0 | 114.5 | ||
| 921 | I | 32.8 | Very low | 32.5 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -130.5 | 110.3 | 169.6 | -56.4 | 177.7 | 0 | 0 | 0 | 107.3 | ||
| 922 | N | 31.1 | Very low | 32.1 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 145.9 | -10.5 | 165.9 | -82.8 | -38.6 | 0 | 0 | 0 | 113.4 | ||
| 923 | N | 29.9 | Very low | 31.7 | Very low | 172 Ų | 172 | 151.3 Ų | 151.3 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -112.3 | 16.5 | 176.1 | -115.7 | -1.8 | 0 | 0 | 0 | 114.6 | ||
| 924 | E | 29 | Very low | 31.4 | Very low | 153 Ų | 153 | 151 Ų | 151 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -145.2 | 160.4 | 157.8 | -127.3 | 171 | -158.8 | 0 | 0 | 109.9 | ||
| 925 | F | 31.2 | Very low | 31 | Very low | 137 Ų | 137 | 156.1 Ų | 156.1 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 48.2 | 72.1 | -173.4 | -63.2 | -85.8 | 0 | 0 | 0 | 114.6 | K928 | F925-K928 HydrophobicContact CD1-CG 3.84Å; F925-K928 HydrophobicContact CE1-CG 3.94Å |
| 926 | K | 28.7 | Very low | 31.1 | Very low | 214 Ų | 214 | 155 Ų | 155 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | S | Bend | -135.7 | 32.6 | 89.3 | -137.9 | 166.7 | -170.7 | 166.4 | 0 | 116.9 | |||
| 927 | T | 29.1 | Very low | 30.7 | Very low | 125 Ų | 125 | 155 Ų | 155 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -98.9 | 76.9 | 148.1 | 43.3 | 0 | 0 | 0 | 0 | 110.7 | N929 | T927-N929 VanDerWaalsContact C-N 3.25Å; T927-N929 PolarHBondContact O-N 2.96Å | ||
| 928 | K | 28.4 | Very low | 30.8 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -65.6 | 91.7 | 157.1 | -88.4 | -169.1 | 175.3 | -179.8 | 0 | 108.2 | F925 | F925-K928 HydrophobicContact CD1-CG 3.84Å; F925-K928 HydrophobicContact CE1-CG 3.94Å | ||
| 929 | N | 27.6 | Very low | 30.7 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -156.2 | 101.8 | 145.4 | -101.6 | -27.4 | 0 | 0 | 0 | 108.5 | T927 | T927-N929 VanDerWaalsContact C-N 3.25Å; T927-N929 PolarHBondContact O-N 2.96Å | ||
| 930 | Q | 29.2 | Very low | 30.7 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 139.7 | 176.1 | -68 | 155.4 | -30.1 | 0 | 0 | 109.9 | ||
| 931 | Y | 28.7 | Very low | 30.5 | Very low | 205 Ų | 205 | 147.2 Ų | 147.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 142.1 | 158.3 | -99.5 | -97.1 | 0 | 0 | 0 | 109.3 | ||
| 932 | A | 34.3 | Very low | 30.5 | Very low | 82 Ų | 82 | 146.8 Ų | 146.8 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 140.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 933 | D | 31.6 | Very low | 30.7 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | 73.1 | 148.6 | 152.3 | -103.5 | -44.5 | 0 | 0 | 0 | 122.5 | ||||
| 934 | S | 32.8 | Very low | 30.7 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 81.4 | 118.8 | 158.5 | -59.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 935 | R | 26.8 | Very low | 31 | Very low | 224 Ų | 224 | 142.1 Ų | 142.1 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -75.1 | 162.3 | 169.5 | -53.7 | 169.2 | 176.8 | 179.2 | -4.9 | 111.5 | ||||
| 936 | P | 32.8 | Very low | 30.9 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | -119.2 | 152.9 | 87 | -4 | 25.6 | 0 | 0 | 0 | 111.8 | |||||
| 937 | I | 29.6 | Very low | 31.2 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | 63.5 | 120.1 | 55.9 | -53.5 | 168.8 | 0 | 0 | 0 | 113.3 | |||||
| 938 | G | 30.5 | Very low | 31.5 | Very low | 66 Ų | 66 | 138.4 Ų | 138.4 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 127.6 | 79.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 939 | N | 31.1 | Very low | 31.8 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | 48.7 | 144.5 | 122.9 | -101 | 51.5 | 0 | 0 | 0 | 123.5 | |||||
| 940 | D | 32.5 | Very low | 32 | Very low | 149 Ų | 149 | 139 Ų | 139 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | 67.8 | 127.5 | 148.7 | -53.4 | -35.6 | 0 | 0 | 0 | 119.6 | ||||
| 941 | G | 32.2 | Very low | 32.3 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | cis | 154.7 | -158.4 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 942 | N | 33.3 | Very low | 32.4 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | 68.7 | 99.3 | 171.1 | -77.2 | -25.5 | 0 | 0 | 0 | 119 | ||||
| 943 | N | 35 | Very low | 32.2 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | 91.4 | 144.4 | 111.8 | -65.4 | -15.8 | 0 | 0 | 0 | 120.8 | |||||
| 944 | N | 31 | Very low | 32.1 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 66% | 0.658 | 75% | 0.751 | S | S | * | * | cis | -174.8 | 174.5 | -30.2 | -115.2 | 1.4 | 0 | 0 | 0 | 109.3 | ||||
| 945 | N | 34.4 | Very low | 31.9 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | 75.6 | 101.4 | 166 | -47 | -42.5 | 0 | 0 | 0 | 114.4 | ||||
| 946 | Q | 29.4 | Very low | 32.2 | Very low | 189 Ų | 189 | 132.2 Ų | 132.2 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | cis | 86.6 | 95.5 | 35.4 | -159.8 | -177.9 | 16.4 | 0 | 0 | 114.3 | ||||
| 947 | A | 34.2 | Very low | 32 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -150.4 | 125.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 948 | D | 35.5 | Very low | 32.1 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | 51.8 | 129.5 | 94.4 | -81.1 | -5.9 | 0 | 0 | 0 | 114 | |||||
| 949 | R | 35.1 | Very low | 32.1 | Very low | 189 Ų | 189 | 135.7 Ų | 135.7 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | -170.7 | 159.4 | -1 | -123.5 | 174.9 | -132.5 | 178.6 | 16.1 | 111.8 | ||||
| 950 | N | 32.3 | Very low | 32.1 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 75% | 0.749 | S | S | * | * | trans | 30.5 | 133.5 | 142.7 | -53.1 | -7.7 | 0 | 0 | 0 | 122.4 | ||||
| 951 | G | 36.3 | Very low | 32 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | 131.8 | 115.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 952 | N | 30 | Very low | 32.1 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | cis | 74.4 | 140.9 | 39.2 | -139.1 | 11.2 | 0 | 0 | 0 | 113.4 | ||||
| 953 | L | 29.1 | Very low | 31.9 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 76.1 | 97.9 | -178.3 | -56 | 168.7 | 0 | 0 | 0 | 114.9 | ||||
| 954 | T | 31.1 | Very low | 31.8 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | 82.4 | 138.1 | 84 | 54.7 | 0 | 0 | 0 | 0 | 116.1 | H956 | T954-H956 PolarHBondContact O-N 3.34Š| |||
| 955 | L | 28.7 | Very low | 31.7 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -66.5 | 90.4 | 176.3 | -167.9 | 175.5 | 0 | 0 | 0 | 111.2 | ||
| 956 | H | 32.2 | Very low | 31.5 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -163.6 | 133.2 | 169 | -126.6 | -89.4 | 0 | 0 | 0 | 113 | T954 | T954-H956 PolarHBondContact O-N 3.34Š| ||
| 957 | D | 29.2 | Very low | 31.4 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | trans | 49.5 | 150.6 | 155.9 | -63.9 | -30.5 | 0 | 0 | 0 | 124 | ||||
| 958 | L | 30.2 | Very low | 31.4 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | 69.2 | 111.4 | 162.5 | -61.8 | 141.4 | 0 | 0 | 0 | 116.1 | ||||
| 959 | L | 31.1 | Very low | 31.4 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | cis | 74.1 | 126.3 | 45.5 | -56 | 164.3 | 0 | 0 | 0 | 115.2 | ||||
| 960 | H | 31.3 | Very low | 30.9 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 69.4 | 103 | 164.6 | -52.2 | -64.5 | 0 | 0 | 0 | 119.3 | ||||
| 961 | S | 31.5 | Very low | 30.8 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | 149.7 | 162.8 | 97.4 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 962 | S | 34.1 | Very low | 30.4 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 83.8 | 100.7 | 154.8 | -47.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 963 | E | 28.2 | Very low | 30.4 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -50.3 | 164.1 | 161.2 | -91.7 | 177.1 | 163.1 | 0 | 0 | 115 | ||||
| 964 | P | 32.4 | Very low | 30.1 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -150.3 | 160.5 | 45.5 | 42.3 | -21.9 | 0 | 0 | 0 | 121.3 | ||||
| 965 | S | 30.3 | Very low | 29.9 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 62.5 | 130.1 | 144 | -63.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 966 | A | 29.5 | Very low | 29.6 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | trans | 83.9 | 139.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 967 | L | 27.5 | Very low | 29.3 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 70.2 | 152.7 | 175.9 | -51 | -177.4 | 0 | 0 | 0 | 116.5 | ||
| 968 | A | 34.9 | Very low | 29 | Very low | 50 Ų | 50 | 133.4 Ų | 133.4 | 41% | 0.413 | 74% | 0.739 | S | S | . | * | S | Bend | trans | 42.9 | 58.1 | -158.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | E906 R910 | E906-A968 WeakPolarHBondContact OE1-CB 3.29Å; E906-A968 PolarHBondContact OE1-N 3.14Å; R910-A968 VanDerWaalsContact CZ-CB 3.46Å |
| 969 | S | 35.4 | Very low | 28.8 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -149.9 | 80.5 | 161 | -79.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 970 | L | 24.6 | Very low | 28.6 | Very low | 190 Ų | 190 | 129.3 Ų | 129.3 | 100% | 0.995 | 74% | 0.735 | S | S | * | * | trans | -126.1 | 41.3 | 151.9 | -95.1 | 175.2 | 0 | 0 | 0 | 110.9 | ||||
| 971 | S | 29.1 | Very low | 28.4 | Very low | 92 Ų | 92 | 127.4 Ų | 127.4 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -124.4 | 149.2 | 158.4 | 69.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 972 | N | 28.3 | Very low | 28.3 | Very low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 69.4 | 143.9 | -180 | -71.5 | -33.6 | 0 | 0 | 0 | 118.8 | ||
| 973 | F | 28.9 | Very low | 28.1 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 69% | 0.689 | 73% | 0.726 | S | S | * | * | trans | 64.5 | 95.8 | 154.8 | -74.2 | -147 | 0 | 0 | 0 | 117.9 | Y975 | F973-Y975 AromaticContact CD1-CD2 3.59Å; F973-Y975 HydrophobicContact CD1-CD2 3.59Å; F973-Y975 HydrophobicContact CD1-CE2 4.32Å; F973-Y975 HydrophobicContact CD1-CG 4.37Å; F973-Y975 AromaticContact CD2-CD2 3.87Å; F973-Y975 HydrophobicContact CD2-CD2 3.87Å; F973-Y975 HydrophobicContact CD2-CE2 4.28Å; F973-Y975 AromaticContact CE1-CD2 3.46Å; F973-Y975 HydrophobicContact CE1-CD2 3.46Å; F973-Y975 VanDerWaalsContact CE1-CD2 3.46Å; F973-Y975 AromaticContact CE1-CE2 3.75Å; F973-Y975 HydrophobicContact CE1-CE2 3.75Å; F973-Y975 HydrophobicContact CE1-CG 4.41Å; F973-Y975 AromaticContact CE2-CD2 3.77Å; F973-Y975 HydrophobicContact CE2-CD2 3.77Å; F973-Y975 AromaticContact CE2-CE2 3.73Å; F973-Y975 HydrophobicContact CE2-CE2 3.73Å; F973-Y975 AromaticContact CG-CD2 3.81Å; F973-Y975 HydrophobicContact CG-CD2 3.81Å; F973-Y975 AromaticContact CZ-CD2 3.57Å; F973-Y975 HydrophobicContact CZ-CD2 3.57Å; F973-Y975 AromaticContact CZ-CE2 3.43Å; F973-Y975 HydrophobicContact CZ-CE2 3.43Å; F973-Y975 VanDerWaalsContact CZ-CE2 3.43Å | ||
| 974 | N | 24.5 | Very low | 28 | Very low | 169 Ų | 169 | 128.1 Ų | 128.1 | 90% | 0.904 | 72% | 0.723 | S | S | * | * | -111.4 | 79.1 | 126.9 | -154 | -22.2 | 0 | 0 | 0 | 109.1 | R976 | N974-R976 PolarHBondContact O-N 2.99Š| |||
| 975 | Y | 26.4 | Very low | 27.8 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 62% | 0.624 | 72% | 0.723 | S | S | * | * | trans | -70.6 | 107.5 | 174.4 | -122.6 | -84.2 | 0 | 0 | 0 | 108.4 | F973 T977 | F973-Y975 AromaticContact CD1-CD2 3.59Å; F973-Y975 HydrophobicContact CD1-CD2 3.59Å; F973-Y975 HydrophobicContact CD1-CE2 4.32Å; F973-Y975 HydrophobicContact CD1-CG 4.37Å; F973-Y975 AromaticContact CD2-CD2 3.87Å; F973-Y975 HydrophobicContact CD2-CD2 3.87Å; F973-Y975 HydrophobicContact CD2-CE2 4.28Å; F973-Y975 AromaticContact CE1-CD2 3.46Å; F973-Y975 HydrophobicContact CE1-CD2 3.46Å; F973-Y975 VanDerWaalsContact CE1-CD2 3.46Å; F973-Y975 AromaticContact CE1-CE2 3.75Å; F973-Y975 HydrophobicContact CE1-CE2 3.75Å; F973-Y975 HydrophobicContact CE1-CG 4.41Å; F973-Y975 AromaticContact CE2-CD2 3.77Å; F973-Y975 HydrophobicContact CE2-CD2 3.77Å; F973-Y975 AromaticContact CE2-CE2 3.73Å; F973-Y975 HydrophobicContact CE2-CE2 3.73Å; F973-Y975 AromaticContact CG-CD2 3.81Å; F973-Y975 HydrophobicContact CG-CD2 3.81Å; F973-Y975 AromaticContact CZ-CD2 3.57Å; F973-Y975 HydrophobicContact CZ-CD2 3.57Å; F973-Y975 AromaticContact CZ-CE2 3.43Å; F973-Y975 HydrophobicContact CZ-CE2 3.43Å; F973-Y975 VanDerWaalsContact CZ-CE2 3.43Å; Y975-T977 WeakPolarHBondContact CD1-OG1 3.35Å; Y975-T977 PolarHBondContact O-N 3.46Å | ||
| 976 | R | 21.8 | Very low | 27.8 | Very low | 217 Ų | 217 | 128.9 Ų | 128.9 | 82% | 0.819 | 72% | 0.716 | S | S | * | * | trans | -77 | 79.8 | 158.2 | -168.1 | 179 | -175.9 | 171.1 | 6.6 | 108.6 | N974 T978 | N974-R976 PolarHBondContact O-N 2.99Å; R976-T978 PolarHBondContact O-N 2.84Å | ||
| 977 | T | 25.7 | Very low | 27.8 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 62% | 0.62 | 71% | 0.714 | S | S | * | * | trans | -71.8 | 70.9 | 170.9 | -49 | 0 | 0 | 0 | 0 | 110.9 | Y975 | Y975-T977 WeakPolarHBondContact CD1-OG1 3.35Å; Y975-T977 PolarHBondContact O-N 3.46Å | ||
| 978 | T | 23.6 | Very low | 27.7 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 58% | 0.583 | 72% | 0.721 | S | S | * | * | trans | -132.9 | 105 | 145.4 | 51.1 | 0 | 0 | 0 | 0 | 106.4 | R976 | R976-T978 PolarHBondContact O-N 2.84Š| ||
| 979 | T | 26.4 | Very low | 27.4 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | S | Bend | cis | -163.6 | 154.5 | 3.5 | 31.9 | 0 | 0 | 0 | 0 | 108.5 | ||
| 980 | A | 26.8 | Very low | 27.2 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | 68.1 | 147.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 981 | T | 26.8 | Very low | 27.3 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | 55.2 | 125.1 | 65.2 | -13.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 982 | T | 29.8 | Very low | 27.5 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 61% | 0.613 | 74% | 0.735 | S | S | * | * | cis | -166 | 156.9 | 40.1 | -41.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 983 | Q | 28.7 | Very low | 27.4 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | trans | 58.9 | 122 | 156.2 | -83.3 | 147.6 | 2.3 | 0 | 0 | 118.4 | ||||
| 984 | M | 26.4 | Very low | 27.4 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 80% | 0.803 | 74% | 0.742 | S | S | * | * | 98.6 | 153.4 | 50.3 | -83.9 | 175.2 | 168.1 | 0 | 0 | 112.8 | |||||
| 985 | N | 29.3 | Very low | 27.4 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | 70.7 | 105.9 | 175.4 | -57 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 986 | T | 28.6 | Very low | 27.3 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | 89.8 | 156.7 | 50.5 | 67.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 987 | D | 29.2 | Very low | 27.6 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 72.2 | 63.2 | 161.8 | -47.2 | -51.4 | 0 | 0 | 0 | 117.7 | ||||
| 988 | I | 26.5 | Very low | 27.6 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | -97.3 | 111.9 | 156.6 | -61.3 | 178.8 | 0 | 0 | 0 | 108.9 | ||||
| 989 | Y | 28.7 | Very low | 27.7 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -134.2 | 153.1 | 177.3 | -110.2 | -67.9 | 0 | 0 | 0 | 110.2 | ||||
| 990 | Q | 30.6 | Very low | 27.7 | Very low | 154 Ų | 154 | 146 Ų | 146 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | trans | 66.8 | 101 | 154.7 | -64.3 | 166.3 | 13.7 | 0 | 0 | 119.7 | ||||
| 991 | N | 27.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | 69.5 | 165.8 | 135 | -56.9 | -37.6 | 0 | 0 | 0 | 119.6 | ||||
| 992 | P | 32.6 | Very low | 27.7 | Very low | 118 Ų | 118 | 148 Ų | 148 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | cis | -115 | 166.8 | -17.1 | 36.8 | -23.9 | 0 | 0 | 0 | 113.3 | ||||
| 993 | S | 25.9 | Very low | 27.5 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -79.3 | 117.9 | 178.3 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 994 | V | 28.8 | Very low | 27.3 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -133.3 | 126.2 | 154.2 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | Y996 | V994-Y996 PolarHBondContact O-N 3.28Š| ||
| 995 | S | 25.5 | Very low | 27.2 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -90.7 | 106.8 | -162.4 | 54 | 0 | 0 | 0 | 0 | 114 | ||||
| 996 | Y | 23.6 | Very low | 26.9 | Very low | 212 Ų | 212 | 150.6 Ų | 150.6 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -125.9 | 89.3 | 166.8 | -89.8 | -86.5 | 0 | 0 | 0 | 110.9 | V994 Q998 | V994-Y996 PolarHBondContact O-N 3.28Å; Y996-Q998 PolarHBondContact O-N 2.93Å | ||
| 997 | T | 29.4 | Very low | 26.8 | Very low | 141 Ų | 141 | 151.3 Ų | 151.3 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | trans | -83.2 | 69.3 | 177.7 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | K999 | T997-K999 PolarHBondContact O-N 3.01Š| ||
| 998 | Q | 24 | Very low | 26.6 | Very low | 187 Ų | 187 | 150.6 Ų | 150.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -32.2 | 110.3 | 157.8 | 177 | -174.4 | 11.8 | 0 | 0 | 114 | Y996 | Y996-Q998 PolarHBondContact O-N 2.93Š| ||
| 999 | K | 27.3 | Very low | 26.6 | Very low | 180 Ų | 180 | 150 Ų | 150 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -144.3 | 117 | 162.6 | -79.6 | -164.1 | 177.2 | -178.6 | 0 | 112 | T997 | T997-K999 PolarHBondContact O-N 3.01Š| ||
| 1000 | F | 26.8 | Very low | 26.4 | Very low | 184 Ų | 184 | 144.9 Ų | 144.9 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | 47.7 | 108.5 | 158.6 | -60.7 | -76.4 | 0 | 0 | 0 | 120.9 | ||||
| 1001 | P | 24 | Very low | 26.1 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -97.5 | 114.1 | 168.1 | 35 | -28.2 | 0 | 0 | 0 | 113.2 | T1003 | P1001-T1003 PolarHBondContact O-OG1 3.34Š| ||
| 1002 | T | 28.8 | Very low | 26.1 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | trans | -123.7 | 87.2 | 170 | -49.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1003 | T | 25.9 | Very low | 25.7 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 64% | 0.644 | 79% | 0.791 | S | S | * | * | 63.2 | 104.7 | 72.2 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | P1001 | P1001-T1003 PolarHBondContact O-OG1 3.34Š| |||
| 1004 | Y | 23.9 | Very low | 25.8 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -5.8 | 129.4 | 163.8 | -56.6 | -96.6 | 0 | 0 | 0 | 118.6 | ||||
| 1005 | T | 24.1 | Very low | 25.6 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | -152.8 | 137.9 | 110.8 | -13.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1006 | L | 24.3 | Very low | 25.7 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -84.4 | 120.9 | 161.5 | -78.3 | 137 | 0 | 0 | 0 | 108.2 | ||||
| 1007 | T | 25.1 | Very low | 25.9 | Very low | 121 Ų | 121 | 145 Ų | 145 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -149.2 | 125.9 | 156.3 | 28 | 0 | 0 | 0 | 0 | 108 | ||||
| 1008 | P | 25.6 | Very low | 25.9 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -76.5 | 150.1 | -176.7 | 32.1 | -35 | 0 | 0 | 0 | 111.2 | ||||
| 1009 | H | 25.3 | Very low | 26.1 | Very low | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -118.6 | 144.2 | 160.3 | -114.2 | -104.3 | 0 | 0 | 0 | 109.7 | ||||
| 1010 | P | 25 | Very low | 26.1 | Very low | 88 Ų | 88 | 147.7 Ų | 147.7 | 57% | 0.571 | 77% | 0.769 | S | S | * | * | trans | -99.4 | 160.7 | -148.7 | 37.5 | -37 | 0 | 0 | 0 | 115 | ||||
| 1011 | S | 24.3 | Very low | 26 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 13.9 | 112.9 | 143.7 | -49.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1012 | Y | 27.3 | Very low | 26.1 | Very low | 238 Ų | 238 | 143.3 Ų | 143.3 | 93% | 0.933 | 77% | 0.77 | S | S | * | * | trans | -113.6 | 94.8 | 140.1 | -116.2 | -89.4 | 0 | 0 | 0 | 109.4 | G1014 | Y1012-G1014 PolarHBondContact O-N 3.36Š| ||
| 1013 | L | 25.5 | Very low | 26.2 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -65 | 124.4 | 166.3 | -82.8 | 159 | 0 | 0 | 0 | 108.5 | ||||
| 1014 | G | 26.4 | Very low | 26.4 | Very low | 67 Ų | 67 | 147.7 Ų | 147.7 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | -146.7 | 108.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1012 | Y1012-G1014 PolarHBondContact O-N 3.36Š| ||
| 1015 | Y | 25.4 | Very low | 26.7 | Very low | 216 Ų | 216 | 143.7 Ų | 143.7 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -28 | 148.8 | 167.1 | -52.5 | -83.6 | 0 | 0 | 0 | 114.7 | ||||
| 1016 | D | 27.9 | Very low | 27 | Very low | 112 Ų | 112 | 141 Ų | 141 | 60% | 0.599 | 76% | 0.757 | S | S | * | * | -151 | 165.7 | 60.9 | -158.2 | 3.3 | 0 | 0 | 0 | 116.2 | |||||
| 1017 | T | 27.8 | Very low | 27.2 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 60% | 0.595 | 74% | 0.736 | S | S | * | * | trans | -62.9 | 167.9 | 177.6 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1018 | R | 28.4 | Very low | 27.4 | Very low | 218 Ų | 218 | 135.3 Ų | 135.3 | 82% | 0.823 | 73% | 0.733 | S | S | * | * | cis | -144.9 | 140.7 | 25.8 | -59.2 | 170.3 | 178.9 | 178.9 | -1.3 | 112 | ||||
| 1019 | L | 28.9 | Very low | 27.6 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 90% | 0.895 | 73% | 0.727 | S | S | * | * | trans | -100.1 | 152.5 | 158.7 | -101.5 | 170.2 | 0 | 0 | 0 | 110 | A1021 | L1019-A1021 PolarHBondContact O-N 3.08Š| ||
| 1020 | H | 27.4 | Very low | 27.7 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | -58.6 | 127.9 | 170.9 | -91.9 | -81.2 | 0 | 0 | 0 | 110.5 | ||||
| 1021 | A | 25.6 | Very low | 27.9 | Very low | 93 Ų | 93 | 144 Ų | 144 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | -122 | 115.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1019 | L1019-A1021 PolarHBondContact O-N 3.08Š| ||
| 1022 | S | 25.7 | Very low | 28.1 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -157 | 150.2 | 158.3 | -81.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1023 | I | 30.4 | Very low | 28.2 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 77.4 | 82.1 | -178.3 | -45.3 | 173.4 | 0 | 0 | 0 | 115.2 | ||
| 1024 | M | 29.6 | Very low | 28.3 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | trans | 27.4 | 109.8 | 131 | -62.7 | 177.2 | 164.7 | 0 | 0 | 120.2 | ||||
| 1025 | N | 29.5 | Very low | 28.3 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | 175.6 | 136.8 | 98.4 | -96.6 | -40.3 | 0 | 0 | 0 | 111.5 | |||||
| 1026 | P | 31.4 | Very low | 28.6 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 47% | 0.474 | 75% | 0.753 | S | S | . | * | trans | -112.5 | 158.3 | -167.4 | 43.5 | -37 | 0 | 0 | 0 | 116.1 | R69 | R69-P1026 WeakPolarHBondContact CD-O 3.31Š| ||
| 1027 | M | 27.9 | Very low | 28.6 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 43% | 0.433 | 76% | 0.764 | S | S | . | * | trans | 61.7 | 137.8 | 158.1 | -2.6 | -177.3 | -136.2 | 0 | 0 | 120.6 | E66 R69 H73 | E66-M1027 HydrophobicContact CG-CE 4.4Å; R69-M1027 HydrophobicContact CB-CE 4.34Å; R69-M1027 VanDerWaalsContact CD-CB 3.45Å; R69-M1027 VanDerWaalsContact CD-CG 3.46Å; R69-M1027 HydrophobicContact CG-CE 4.26Å; R69-M1027 HydrophobicContact CG-CG 4.48Å; R69-M1027 PolarHBondContact NH1-SD 2.85Å; H73-M1027 PolarHBondContact ND1-O 2.56Å | ||
| 1028 | A | 30.7 | Very low | 28.7 | Very low | 82 Ų | 82 | 148.7 Ų | 148.7 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -151.7 | 121.8 | 143 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1029 | I | 28.1 | Very low | 28.6 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | trans | -82.9 | 133.1 | 173.9 | -63.1 | 166.9 | 0 | 0 | 0 | 108.5 | ||||
| 1030 | R | 28.8 | Very low | 28.7 | Very low | 244 Ų | 244 | 144.1 Ų | 144.1 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -159.7 | 146.6 | 160.3 | -113.6 | 161.8 | -143.4 | -84.9 | -3.4 | 113.4 | ||||
| 1031 | Q | 29.7 | Very low | 28.7 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -76.7 | 157.5 | -179.1 | -67.6 | 158.8 | -66 | 0 | 0 | 113 | ||||
| 1032 | T | 27.7 | Very low | 28.9 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -4.1 | 132.6 | 156.2 | 50.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1033 | G | 29.3 | Very low | 29.1 | Very low | 80 Ų | 80 | 141.7 Ų | 141.7 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -153.9 | 117.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1034 | Q | 27.8 | Very low | 29 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -89.4 | 159.6 | -176.5 | -63.8 | 175.2 | -28.3 | 0 | 0 | 113.4 | ||||
| 1035 | S | 27.3 | Very low | 29 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 78.1 | 146 | 159.6 | -36.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1036 | K | 30.5 | Very low | 28.8 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | cis | -148.9 | 163.7 | 30.9 | -77.3 | -178.6 | 175.9 | 178.5 | 0 | 114.6 | ||||
| 1037 | L | 27.6 | Very low | 29.1 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | -73.7 | 147.7 | 170.8 | -66.7 | 153 | 0 | 0 | 0 | 114.3 | ||||
| 1038 | Y | 30.4 | Very low | 29.1 | Very low | 225 Ų | 225 | 145.7 Ų | 145.7 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | trans | -161.7 | 108.4 | 145.1 | -94.8 | -81 | 0 | 0 | 0 | 106.6 | ||||
| 1039 | S | 26.8 | Very low | 29.1 | Very low | 90 Ų | 90 | 150.9 Ų | 150.9 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | cis | 96.3 | 82 | 39.3 | 80.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1040 | Q | 30.6 | Very low | 29.4 | Very low | 203 Ų | 203 | 149.8 Ų | 149.8 | 95% | 0.949 | 78% | 0.779 | S | S | * | * | trans | -160 | 136.6 | 164.3 | -148.5 | 100.4 | 21.2 | 0 | 0 | 109.4 | ||||
| 1041 | G | 28 | Very low | 29.5 | Very low | 52 Ų | 52 | 143 Ų | 143 | 54% | 0.536 | 77% | 0.769 | S | S | . | * | cis | 163.4 | 37 | -9.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1042 | V | 30 | Very low | 29.6 | Very low | 141 Ų | 141 | 140 Ų | 140 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | -147.2 | 112.8 | 175.2 | -171.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1043 | I | 28.2 | Very low | 29.9 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | cis | 87.7 | 138.5 | 32.9 | -43.2 | 167.5 | 0 | 0 | 0 | 113.9 | ||||
| 1044 | I | 29.5 | Very low | 29.9 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 80% | 0.795 | 75% | 0.748 | S | S | * | * | trans | 77.7 | 149.3 | 170.3 | 27.3 | -174.3 | 0 | 0 | 0 | 119.2 | ||||
| 1045 | P | 28.6 | Very low | 30 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | -138.9 | 179.9 | -96.1 | 45.6 | -28.5 | 0 | 0 | 0 | 119.3 | |||||
| 1046 | N | 26.5 | Very low | 30 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | -49.3 | 174.3 | 155.8 | -142.7 | 17.9 | 0 | 0 | 0 | 113 | ||||
| 1047 | P | 36.7 | Very low | 29.9 | Very low | 85 Ų | 85 | 140 Ų | 140 | 55% | 0.552 | 73% | 0.73 | S | S | * | * | cis | -159.7 | -171.2 | 28.4 | 48.4 | -25.6 | 0 | 0 | 0 | 121.4 | ||||
| 1048 | R | 28.1 | Very low | 30 | Very low | 203 Ų | 203 | 136.7 Ų | 136.7 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | trans | 78.4 | 148.7 | 158.4 | -63.8 | 164 | -167.5 | 175.7 | 3.1 | 116.5 | ||||
| 1049 | Y | 31.9 | Very low | 30 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | cis | -140.5 | 137.5 | 29.6 | -103 | -92 | 0 | 0 | 0 | 114.4 | ||||
| 1050 | T | 32.6 | Very low | 30.2 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | trans | 40.4 | 147.9 | 134.6 | 59.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1051 | S | 31.6 | Very low | 30.2 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | cis | 180 | 169.2 | 7.5 | 37.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1052 | D | 32.4 | Very low | 30.5 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | cis | -176.4 | 171.4 | -29.7 | -92.7 | -57.8 | 0 | 0 | 0 | 107.5 | ||||
| 1053 | H | 33.1 | Very low | 30.5 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | trans | 71.4 | 155.4 | 163.1 | -57.1 | -35.6 | 0 | 0 | 0 | 118.6 | ||||
| 1054 | N | 30.5 | Very low | 30.7 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | cis | -171.5 | 161.5 | -16.8 | -95.1 | -6.5 | 0 | 0 | 0 | 107 | ||||
| 1055 | V | 30 | Very low | 30.9 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | cis | -161.2 | 139.8 | -14.4 | 128.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1056 | I | 27 | Very low | 31 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | trans | 15.1 | 147.9 | 147.4 | -28.3 | 170.1 | 0 | 0 | 0 | 122.2 | ||||
| 1057 | F | 29 | Very low | 31.1 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | trans | 91.4 | 146.8 | 157.5 | -60.2 | -66.6 | 0 | 0 | 0 | 118.5 | ||||
| 1058 | S | 28.4 | Very low | 30.7 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | cis | -174.2 | 153.9 | -31.1 | -142.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1059 | T | 30.1 | Very low | 30.7 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | 58.7 | 148.5 | 168.6 | 55 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1060 | G | 31.5 | Very low | 30.5 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | cis | 128 | 152.1 | 30.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1061 | T | 31.4 | Very low | 30.4 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | cis | -151.4 | 164.1 | 5 | 46.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1062 | T | 33.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | trans | -48.6 | 157.6 | 172.2 | 43.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1063 | Q | 29.8 | Very low | 30 | Very low | 197 Ų | 197 | 129.7 Ų | 129.7 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | -159.4 | 131 | 124 | -114.1 | 160.6 | 68 | 0 | 0 | 115.8 | |||||
| 1064 | L | 32.4 | Very low | 29.7 | Very low | 157 Ų | 157 | 127.2 Ų | 127.2 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -75.6 | -171 | 157.4 | -90.2 | 159.2 | 0 | 0 | 0 | 108.6 | ||||
| 1065 | P | 34.3 | Very low | 29.6 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | cis | -161.1 | -167.3 | 32.9 | 33.7 | -4.1 | 0 | 0 | 0 | 120.4 | ||||
| 1066 | T | 29.7 | Very low | 29.5 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | 102.9 | 144.6 | 127.8 | 15.7 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1067 | L | 29.8 | Very low | 29.5 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | 70.5 | 124.6 | 159.5 | -57.1 | 159.9 | 0 | 0 | 0 | 115.9 | ||||
| 1068 | S | 26.9 | Very low | 29.6 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 57% | 0.573 | 73% | 0.728 | S | S | * | * | cis | 90.7 | 145 | 26.3 | 84.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 1069 | N | 29 | Very low | 29.5 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | 91.2 | 148.7 | 175.5 | -50.7 | -26.3 | 0 | 0 | 0 | 114.9 | ||||
| 1070 | F | 28.4 | Very low | 29.6 | Very low | 162 Ų | 162 | 133 Ų | 133 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | cis | -151.9 | -153.7 | -8.7 | -131.7 | -136.2 | 0 | 0 | 0 | 109.5 | ||||
| 1071 | H | 29.6 | Very low | 29.4 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | -32.4 | 152.5 | 173 | -50.7 | -19.1 | 0 | 0 | 0 | 116.3 | ||||
| 1072 | G | 28.3 | Very low | 29.4 | Very low | 62 Ų | 62 | 132.9 Ų | 132.9 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | cis | 110.2 | 160.7 | 25.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1073 | V | 28.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 90% | 0.903 | 67% | 0.674 | S | S | * | * | trans | 58.4 | 153.3 | -178 | -80 | 0 | 0 | 0 | 0 | 116 | ||||
| 1074 | D | 25.8 | Very low | 29.9 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 58% | 0.583 | 64% | 0.644 | S | S | * | * | cis | -168 | 179.8 | -20.7 | -167.8 | -4.2 | 0 | 0 | 0 | 106.8 | ||||
| 1075 | Y | 28.6 | Very low | 29.9 | Very low | 197 Ų | 197 | 119.2 Ų | 119.2 | 77% | 0.773 | 63% | 0.634 | S | S | * | * | trans | 69.7 | 151.7 | 164.3 | -57.4 | -59.2 | 0 | 0 | 0 | 118.6 | ||||
| 1076 | S | 28.4 | Very low | 29.9 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 56% | 0.559 | 64% | 0.639 | S | S | * | * | cis | -176.4 | 154.4 | -33.2 | -133 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1077 | M | 27 | Very low | 30.1 | Very low | 145 Ų | 145 | 123 Ų | 123 | 71% | 0.714 | 64% | 0.641 | S | S | * | * | trans | 66.2 | 154.6 | 151.7 | -66 | 178.7 | -153.5 | 0 | 0 | 117.8 | ||||
| 1078 | R | 31 | Very low | 30.2 | Very low | 197 Ų | 197 | 121 Ų | 121 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | cis | -156.5 | 133 | -0.4 | -112.2 | 160.6 | -149.5 | -142.7 | 7.4 | 107.1 | ||||
| 1079 | R | 26.3 | Very low | 30.3 | Very low | 206 Ų | 206 | 127.2 Ų | 127.2 | 78% | 0.777 | 65% | 0.647 | S | S | * | * | 80.5 | 115.5 | 85.3 | -173.8 | -168.7 | -76.7 | -147.4 | -2.9 | 115.8 | |||||
| 1080 | A | 30.5 | Very low | 30.4 | Very low | 70 Ų | 70 | 126.8 Ų | 126.8 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | trans | -119 | -174.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S15 | S15-A1080 WeakPolarHBondContact OG-CB 3.38Š| ||
| 1081 | Q | 29.2 | Very low | 30.5 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 56% | 0.556 | 64% | 0.644 | S | S | * | * | trans | -174.3 | 162.6 | -167.2 | -110.2 | 173.1 | -117.2 | 0 | 0 | 110.6 | ||||
| 1082 | N | 30.5 | Very low | 30.4 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 45% | 0.449 | 64% | 0.635 | S | S | . | * | cis | -149.4 | 113.2 | -9.7 | 24.1 | -120.9 | 0 | 0 | 0 | 113.2 | G17 D18 | G17-N1082 WeakPolarHBondContact CA-O 3.4Å; D18-N1082 VanDerWaalsContact CG-O 3.28Å | ||
| 1083 | D | 33.2 | Very low | 30.3 | Very low | 56 Ų | 56 | 124.1 Ų | 124.1 | 30% | 0.299 | 64% | 0.643 | S | S | . | * | trans | 103 | 179.3 | 140.9 | -108.2 | 40.9 | 0 | 0 | 0 | 119.3 | Q16 G17 | Q16-D1083 VanDerWaalsContact CD-OD1 3.23Å; Q16-D1083 HydrophobicContact CG-CB 4.17Å; Q16-D1083 VanDerWaalsContact CG-OD1 3.24Å; Q16-D1083 WeakPolarHBondContact CG-OD1 3.47Å; Q16-D1083 PolarHBondContact NE2-OD1 3.35Å; G17-D1083 CarbonylContact C-O 3.6Å; G17-D1083 VanDerWaalsContact C-O 3.24Å; G17-D1083 WeakPolarHBondContact CA-O 3.33Å; G17-D1083 PolarHBondContact N-O 3.14Å | ||
| 1084 | P | 40.4 | Very low | 30.4 | Very low | 46 Ų | 46 | 123 Ų | 123 | 30% | 0.299 | 64% | 0.637 | S | S | . | * | trans | -141 | -168.7 | -162.7 | 47.3 | -28.6 | 0 | 0 | 0 | 116.5 | D18 R19 | D18-P1084 CarbonylContact C-O 3.52Å; D18-P1084 VanDerWaalsContact C-O 3.26Å; R19-P1084 WeakPolarHBondContact CA-O 3.47Å; R19-P1084 PolarHBondContact N-O 2.98Å | ||
| 1085 | S | 33 | Very low | 30.5 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | trans | -162.9 | 138.1 | 138.1 | 58.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1086 | K | 34.4 | Very low | 30.5 | Very low | 178 Ų | 178 | 124 Ų | 124 | 77% | 0.774 | 64% | 0.643 | S | S | * | * | cis | 66.7 | 151 | 49.4 | -77.8 | -168 | 165.2 | -170.3 | 0 | 113.4 | ||||
| 1087 | T | 32.6 | Very low | 30.4 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | cis | -166.4 | 164 | 9 | 11.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 1088 | T | 31.9 | Very low | 30.6 | Very low | 103 Ų | 103 | 127 Ų | 127 | 63% | 0.632 | 66% | 0.658 | S | S | * | * | cis | 179.9 | 128.1 | -22.1 | -95.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1089 | Y | 29.4 | Very low | 30.4 | Very low | 213 Ų | 213 | 123.2 Ų | 123.2 | 84% | 0.835 | 66% | 0.662 | S | S | * | * | trans | 61 | -176.4 | 159 | -70.7 | -139.8 | 0 | 0 | 0 | 115.3 | ||||
| 1090 | D | 31 | Very low | 30.6 | Very low | 123 Ų | 123 | 116.6 Ų | 116.6 | 66% | 0.658 | 66% | 0.658 | S | S | * | * | cis | -151.4 | -168.9 | 5.3 | -150.3 | 11.3 | 0 | 0 | 0 | 109.2 | ||||
| 1091 | N | 31.2 | Very low | 30.5 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 68% | 0.684 | 67% | 0.67 | S | S | * | * | cis | -158.2 | 123.3 | 5.3 | -172.4 | -114.8 | 0 | 0 | 0 | 105.4 | ||||
| 1092 | A | 27.4 | Very low | 30.5 | Very low | 69 Ų | 69 | 121.7 Ų | 121.7 | 57% | 0.57 | 68% | 0.679 | S | S | * | * | 65.6 | 117.1 | 70.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1093 | V | 26.8 | Very low | 30.5 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | trans | 28.7 | 128.1 | 150.1 | -174.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1094 | T | 30.2 | Very low | 30.5 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | -165.2 | 112.7 | 136.9 | -82.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1095 | T | 28.4 | Very low | 30.1 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 64% | 0.638 | 73% | 0.733 | S | S | * | * | trans | 31 | 142.5 | 148.1 | 73.2 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 1096 | R | 28.6 | Very low | 30.1 | Very low | 224 Ų | 224 | 131.5 Ų | 131.5 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | 66.8 | 112.3 | 133.5 | -74.7 | 171.2 | -177.2 | 177 | 1.9 | 121.2 | ||||
| 1097 | T | 25.8 | Very low | 29.9 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | 35.2 | 110.7 | 114.8 | -36.3 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1098 | I | 30.3 | Very low | 29.8 | Very low | 161 Ų | 161 | 132 Ų | 132 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | -170.8 | 151.9 | 119.5 | -97.1 | 156.3 | 0 | 0 | 0 | 110.6 | |||||
| 1099 | S | 27.3 | Very low | 29.7 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -54.3 | 148.9 | -178.7 | -40.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1100 | G | 30.3 | Very low | 29.5 | Very low | 66 Ų | 66 | 131.5 Ų | 131.5 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 162.1 | 81.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1101 | T | 29.6 | Very low | 29.5 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | trans | 21.8 | 121.6 | 138.7 | 52.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1102 | Q | 28.9 | Very low | 29.2 | Very low | 162 Ų | 162 | 131 Ų | 131 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | 108.7 | 122.4 | 120.1 | -164 | 168.7 | -3.6 | 0 | 0 | 120.7 | |||||
| 1103 | D | 30.9 | Very low | 29.2 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | 58.5 | 122.9 | 152.5 | -54.2 | -12.1 | 0 | 0 | 0 | 124.3 | ||||
| 1104 | D | 31.2 | Very low | 29.3 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 38.3 | 115.1 | 137.2 | -64.8 | -8.4 | 0 | 0 | 0 | 121.8 | ||||
| 1105 | L | 32.6 | Very low | 29.5 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | -177.7 | 137 | 96.3 | -95 | 170.6 | 0 | 0 | 0 | 110.8 | |||||
| 1106 | G | 33 | Very low | 29.5 | Very low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -108.5 | 157.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1107 | N | 31.6 | Very low | 29.6 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -154.9 | 156 | 146.7 | -128.3 | -1.5 | 0 | 0 | 0 | 111.9 | ||||
| 1108 | T | 29.7 | Very low | 30 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | -97 | 146.9 | -169.7 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1109 | E | 29.5 | Very low | 30.1 | Very low | 201 Ų | 201 | 135.6 Ų | 135.6 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | -144.5 | 163.7 | 138 | -151.1 | 157.9 | -136.2 | 0 | 0 | 110.6 | ||||
| 1110 | C | 25.2 | Very low | 30.2 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 72% | 0.716 | 76% | 0.759 | S | S | * | * | trans | -127.2 | 141.4 | -162.8 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1111 | T | 30 | Very low | 30.3 | Very low | 145 Ų | 145 | 146 Ų | 146 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | -148.6 | 99.3 | 157.5 | -1.4 | 0 | 0 | 0 | 0 | 111.9 | S1113 | T1111-S1113 PolarHBondContact O-N 2.87Š| ||
| 1112 | D | 26.8 | Very low | 30.5 | Very low | 94 Ų | 94 | 150.7 Ų | 150.7 | 50% | 0.503 | 77% | 0.773 | S | S | . | * | trans | -38.2 | 119.2 | 161.3 | 166.4 | 31.7 | 0 | 0 | 0 | 113.7 | ||||
| 1113 | S | 26.4 | Very low | 30.7 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -166.8 | 77.8 | 156.6 | -84 | 0 | 0 | 0 | 0 | 113 | T1111 | T1111-S1113 PolarHBondContact O-N 2.87Š| ||
| 1114 | S | 29.1 | Very low | 30.8 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -159.7 | -12.6 | 157.1 | -83.5 | 0 | 0 | 0 | 0 | 114.6 | R1116 | S1114-R1116 PolarHBondContact O-N 3.13Å; S1114-R1116 VanDerWaalsContact O-N 3.09Å |
| 1115 | Q | 34.4 | Very low | 30.9 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 31.5 | 175.8 | -74 | -169.1 | -109.9 | 0 | 0 | 114.4 | ||
| 1116 | R | 29 | Very low | 31 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -0.9 | -171.9 | -77.5 | -168.5 | 178 | -152.7 | -1.1 | 117.9 | S1114 | S1114-R1116 PolarHBondContact O-N 3.13Å; S1114-R1116 VanDerWaalsContact O-N 3.09Å |
| 1117 | E | 30.4 | Very low | 31 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -80.7 | -44.7 | 178.5 | -151 | 58.8 | -131.6 | 0 | 0 | 112.5 | E1119 | E1117-E1119 PolarHBondContact O-N 3.4Š|
| 1118 | N | 32.9 | Very low | 31 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -5.3 | -167.2 | -78.4 | -35.1 | 0 | 0 | 0 | 116.1 | ||
| 1119 | E | 32.5 | Very low | 31.2 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -12.6 | 180 | -69.5 | -173.4 | 134.7 | 0 | 0 | 114.1 | E1117 K1121 R1122 | E1117-E1119 PolarHBondContact O-N 3.4Å; E1119-K1121 VanDerWaalsContact C-N 3.33Å; E1119-K1121 PolarHBondContact O-N 2.83Å; E1119-R1122 PolarHBondContact O-N 3.34Å |
| 1120 | R | 29.6 | Very low | 31.3 | Very low | 195 Ų | 195 | 146.5 Ų | 146.5 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -69.9 | -26.5 | 174.9 | -73.5 | -169.7 | 171.9 | -140 | -2.1 | 113.6 | R1122 | R1120-R1122 PolarHBondContact O-N 3.17Š|
| 1121 | K | 33.1 | Very low | 31.5 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 90% | 0.9 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -79.7 | 6.7 | 175 | -68.8 | -173.2 | 177.9 | -179.8 | 0 | 114.6 | E1119 | E1119-K1121 VanDerWaalsContact C-N 3.33Å; E1119-K1121 PolarHBondContact O-N 2.83Å |
| 1122 | R | 34.4 | Very low | 31.7 | Very low | 235 Ų | 235 | 151.9 Ų | 151.9 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -116.4 | 4 | 171.4 | -79.8 | -177.3 | 171.7 | -102.3 | -3.8 | 115 | E1119 R1120 | E1119-R1122 PolarHBondContact O-N 3.34Å; R1120-R1122 PolarHBondContact O-N 3.17Å |
| 1123 | S | 32.9 | Very low | 32 | Very low | 100 Ų | 100 | 157 Ų | 157 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -132.8 | 43 | -173.6 | -153.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1124 | I | 33.2 | Very low | 32.3 | Very low | 127 Ų | 127 | 163.5 Ų | 163.5 | 65% | 0.651 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -121.3 | -22.6 | 173.3 | -63.4 | -177.8 | 0 | 0 | 0 | 112.8 | G1126 | I1124-G1126 PolarHBondContact O-N 2.69Š|
| 1125 | F | 33.2 | Very low | 32.4 | Very low | 187 Ų | 187 | 163.9 Ų | 163.9 | 82% | 0.82 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 16 | 174.8 | -104.7 | -85.4 | 0 | 0 | 0 | 115.4 | ||
| 1126 | G | 33.2 | Very low | 32.1 | Very low | 76 Ų | 76 | 163 Ų | 163 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -17.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115 | I1124 | I1124-G1126 PolarHBondContact O-N 2.69Š|
| 1127 | T | 34.8 | Very low | 32.2 | Very low | 122 Ų | 122 | 159.4 Ų | 159.4 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -114.8 | -24.4 | -160 | -46.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1128 | L | 31.4 | Very low | 32.3 | Very low | 131 Ų | 131 | 158.1 Ų | 158.1 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -101.3 | 0.8 | -171.6 | -77.9 | 164.6 | 0 | 0 | 0 | 115.8 | R1130 | L1128-R1130 VanDerWaalsContact C-N 3.3Å; L1128-R1130 PolarHBondContact O-N 3.34Å |
| 1129 | G | 33.1 | Very low | 32.2 | Very low | 65 Ų | 65 | 157.7 Ų | 157.7 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 18.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1130 | R | 32.6 | Very low | 32 | Very low | 246 Ų | 246 | 156.3 Ų | 156.3 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -1.4 | -176.2 | -66.9 | -165.4 | -174.3 | -144.9 | 5.7 | 115.5 | L1128 | L1128-R1130 VanDerWaalsContact C-N 3.3Å; L1128-R1130 PolarHBondContact O-N 3.34Å |
| 1131 | M | 29.1 | Very low | 32.1 | Very low | 152 Ų | 152 | 152.9 Ų | 152.9 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -109.6 | 158.6 | 175.1 | -68.3 | 165.7 | 67.9 | 0 | 0 | 109.8 | ||
| 1132 | F | 32.8 | Very low | 32 | Very low | 212 Ų | 212 | 149.9 Ų | 149.9 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | 74.8 | 53.2 | -168.8 | -55.9 | -67.3 | 0 | 0 | 0 | 117.4 | ||||
| 1133 | K | 33.6 | Very low | 31.7 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -90.2 | 102.4 | 158.5 | -171.6 | -177.6 | -178.4 | -170.7 | 0 | 109.2 | ||||
| 1134 | R | 32.1 | Very low | 31.6 | Very low | 241 Ų | 241 | 145.1 Ų | 145.1 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -60.7 | 133.4 | 175.5 | -71.3 | -169.9 | -180 | -148 | 0.5 | 110.3 | ||||
| 1135 | P | 32.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -79.5 | 158.7 | 175.7 | 33.3 | -34.9 | 0 | 0 | 0 | 111.8 | ||||
| 1136 | N | 28.2 | Very low | 31.5 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -129.5 | 139.4 | 160.9 | -155.3 | 40.3 | 0 | 0 | 0 | 106.3 | ||||
| 1137 | P | 31.1 | Very low | 31.3 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -88.5 | 144.1 | -158.6 | 33.4 | -35.7 | 0 | 0 | 0 | 114.1 | ||||
| 1138 | V | 32.9 | Very low | 31.2 | Very low | 131 Ų | 131 | 151 Ų | 151 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -157.6 | 131.3 | 145.5 | 166.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1139 | N | 30.8 | Very low | 31.4 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 20.7 | 116.3 | 153 | -59.7 | 7.3 | 0 | 0 | 0 | 119.1 | ||||
| 1140 | V | 28.5 | Very low | 31.3 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | 89.9 | 129.4 | 70.3 | 161.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1141 | T | 30.9 | Very low | 31.2 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 62.4 | 144.7 | -179 | 60.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1142 | N | 30.5 | Very low | 31.3 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | cis | -148.7 | 178.1 | -4.8 | -121.6 | 2 | 0 | 0 | 0 | 112.6 | ||||
| 1143 | S | 28.4 | Very low | 31.1 | Very low | 79 Ų | 79 | 143.9 Ų | 143.9 | 55% | 0.552 | 77% | 0.772 | S | S | * | * | trans | -47.6 | 168.7 | 173.2 | 45.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1144 | Q | 31.6 | Very low | 31 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | cis | -167.3 | 139.9 | 44.8 | -133.9 | 124.4 | -22 | 0 | 0 | 116 | ||||
| 1145 | N | 30.5 | Very low | 30.9 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 67.8 | 160.8 | 133.6 | -66.3 | 11.7 | 0 | 0 | 0 | 125.8 | ||||
| 1146 | Q | 32.7 | Very low | 30.6 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | 77.5 | 102.4 | -172 | -57.8 | -177.2 | 29.1 | 0 | 0 | 114.1 | ||||
| 1147 | V | 28.9 | Very low | 30.5 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | cis | 77.4 | 100.8 | 12.4 | -168.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1148 | E | 33.8 | Very low | 30.3 | Very low | 181 Ų | 181 | 130 Ų | 130 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -177.6 | 103.6 | 143.5 | -102.4 | 173.3 | -172.1 | 0 | 0 | 108 | ||||
| 1149 | S | 35.3 | Very low | 30.2 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | 74.3 | 95.8 | 94.4 | 70.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 1150 | T | 30.9 | Very low | 30 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | 81.9 | 118 | 80.8 | -65.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1151 | L | 30.9 | Very low | 30.6 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | -176.7 | 130.7 | 143.4 | -101.9 | 170.2 | 0 | 0 | 0 | 112.6 | ||||
| 1152 | K | 31.7 | Very low | 30.7 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | trans | 31 | 128.2 | 151.1 | -61.9 | 174.8 | -172 | -178.7 | 0 | 120.7 | ||||
| 1153 | S | 28.4 | Very low | 30.6 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | cis | 88.1 | 143.7 | 33.8 | 79.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1154 | V | 29.6 | Very low | 30.9 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 65% | 0.648 | 78% | 0.775 | S | S | * | * | trans | 92.1 | 136.1 | 162.6 | -178.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1155 | A | 30.1 | Very low | 30.7 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | trans | 60 | 136.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1156 | S | 26.7 | Very low | 30.9 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | cis | 79.7 | 140.9 | 29.7 | -56 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1157 | S | 26.5 | Very low | 30.8 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 70.3 | 114 | 167.9 | 69.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 1158 | N | 26.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | 74 | 148.9 | 124.4 | -59.2 | -13 | 0 | 0 | 0 | 123.1 | |||||
| 1159 | Q | 31.6 | Very low | 30.6 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | trans | 89.5 | 155.2 | 160.1 | -68.3 | 164.5 | 22 | 0 | 0 | 119.4 | ||||
| 1160 | Q | 26.7 | Very low | 30.3 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | -111.7 | 170.6 | -152.9 | -103.9 | 177 | -28.1 | 0 | 0 | 113.3 | ||||
| 1161 | P | 39.4 | Very low | 30.4 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -87.9 | 177.6 | -170.1 | 37.6 | -38.7 | 0 | 0 | 0 | 114.3 | ||||
| 1162 | P | 34.8 | Very low | 30.2 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | trans | -147.8 | 143.9 | 132.3 | 35.2 | -18.3 | 0 | 0 | 0 | 118.1 | ||||
| 1163 | L | 27.9 | Very low | 30.3 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 49.1 | 129.4 | 133.9 | -56.5 | 171.1 | 0 | 0 | 0 | 123.1 | ||||
| 1164 | R | 34.2 | Very low | 30.4 | Very low | 243 Ų | 243 | 137.5 Ų | 137.5 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | -173.3 | 154.4 | 107.5 | -104 | 177.5 | 178 | -173.5 | -0.6 | 115.6 | |||||
| 1165 | F | 27.5 | Very low | 30.2 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 77% | 0.772 | 75% | 0.751 | S | S | * | * | trans | -96.9 | 169.2 | 177.7 | -78.1 | -106.7 | 0 | 0 | 0 | 112.7 | ||||
| 1166 | H | 34.7 | Very low | 30 | Very low | 169 Ų | 169 | 142 Ų | 142 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | 164.8 | 133.7 | 113.4 | -90.3 | -63.3 | 0 | 0 | 0 | 117.1 | |||||
| 1167 | S | 31.2 | Very low | 29.9 | Very low | 88 Ų | 88 | 144.8 Ų | 144.8 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | trans | 69 | 155.5 | 133 | -58.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1168 | N | 30.8 | Very low | 30 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | cis | -164.4 | 138 | -12.6 | -109.7 | -18.1 | 0 | 0 | 0 | 112.6 | ||||
| 1169 | Q | 26.1 | Very low | 29.9 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 45.5 | 155.9 | 131.9 | -55.2 | 176.4 | 48.7 | 0 | 0 | 125.4 | ||||
| 1170 | L | 29.2 | Very low | 29.6 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | 119.8 | 111.2 | 141.7 | -69.9 | 130.2 | 0 | 0 | 0 | 120.7 | ||||
| 1171 | T | 32.9 | Very low | 29.5 | Very low | 108 Ų | 108 | 145.1 Ų | 145.1 | 66% | 0.663 | 74% | 0.743 | S | S | * | * | trans | 65.7 | 111.4 | 138.1 | 55.1 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1172 | H | 27.6 | Very low | 28.9 | Very low | 178 Ų | 178 | 146.7 Ų | 146.7 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | 32.4 | 157.6 | 108.6 | -67.1 | -64.5 | 0 | 0 | 0 | 122.2 | |||||
| 1173 | P | 34.6 | Very low | 28.7 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | cis | -146.2 | -171.8 | -30.1 | 41.6 | -22.6 | 0 | 0 | 0 | 115.4 | ||||
| 1174 | S | 29 | Very low | 28.7 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 75.3 | 115.4 | 141.8 | -70.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1175 | C | 25.3 | Very low | 28.3 | Very low | 111 Ų | 111 | 142 Ų | 142 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | 88.5 | 129.1 | 119.1 | -67.6 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1176 | Q | 26.2 | Very low | 28.4 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | trans | 90.1 | 129.6 | 138.7 | -74.3 | -179.5 | -16.2 | 0 | 0 | 123.1 | ||||
| 1177 | Y | 24.8 | Very low | 28.1 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | trans | -4.6 | 139.5 | 161.7 | -52.4 | -91.4 | 0 | 0 | 0 | 120.9 | ||||
| 1178 | Q | 28.9 | Very low | 28.2 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | -166.5 | 172.4 | 98.1 | -102.7 | 173.1 | 16.4 | 0 | 0 | 113.9 | |||||
| 1179 | V | 24.6 | Very low | 28.3 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | -109.1 | 156.7 | -170.5 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1180 | Y | 25.5 | Very low | 28.4 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 114.1 | 126.6 | 158.2 | -72.1 | -75.7 | 0 | 0 | 0 | 119.1 | ||||
| 1181 | N | 24.2 | Very low | 28.5 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | trans | 66.9 | 115.9 | 138.5 | -65.5 | -12 | 0 | 0 | 0 | 122.6 | ||||
| 1182 | I | 26.2 | Very low | 28.4 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | 51.8 | 131.5 | 110.3 | -61.9 | 162.6 | 0 | 0 | 0 | 117.4 | |||||
| 1183 | P | 30.7 | Very low | 28.5 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | cis | -141.5 | -166.5 | 33.7 | 31.2 | -5.9 | 0 | 0 | 0 | 117.2 | ||||
| 1184 | Q | 28.6 | Very low | 28.4 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -69.4 | 152 | 174.3 | -53.4 | 161.6 | -19.4 | 0 | 0 | 115.2 | ||||
| 1185 | S | 26.8 | Very low | 28.4 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | 176.8 | 124.6 | 140.3 | 21 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1186 | T | 28 | Very low | 28.6 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | 56.1 | 144.4 | 81.2 | 65.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1187 | S | 29.9 | Very low | 28.8 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | -179.8 | 153.3 | -8.3 | 168.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1188 | V | 33.2 | Very low | 29 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -145 | 115.1 | 162.2 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1189 | H | 32.1 | Very low | 28.9 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 78% | 0.782 | 75% | 0.75 | S | S | * | * | trans | 26.7 | 145.2 | 151.6 | -72 | -87.1 | 0 | 0 | 0 | 122.5 | ||||
| 1190 | R | 28.4 | Very low | 29.1 | Very low | 228 Ų | 228 | 145.8 Ų | 145.8 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | cis | -142.4 | 132.7 | 34.6 | -85.6 | -170.3 | 174.7 | -170.5 | -1.4 | 115 | ||||
| 1191 | S | 31.1 | Very low | 29.2 | Very low | 84 Ų | 84 | 141.6 Ų | 141.6 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | trans | 37.8 | 139.4 | 136.8 | 62.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1192 | D | 30.8 | Very low | 29.3 | Very low | 139 Ų | 139 | 146.3 Ų | 146.3 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | cis | -169.9 | 153.8 | -5.9 | -105.6 | -37.4 | 0 | 0 | 0 | 112.1 | ||||
| 1193 | E | 29.8 | Very low | 29.2 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 61% | 0.607 | 76% | 0.755 | S | S | * | * | trans | 59 | 148.9 | 148.5 | -67.2 | -165.1 | 125.1 | 0 | 0 | 121.1 | ||||
| 1194 | R | 32.2 | Very low | 29.1 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 70% | 0.698 | 75% | 0.754 | S | S | * | * | cis | -154.4 | 137.5 | 4.4 | -109.8 | 153.5 | -166.5 | 166.1 | 13.1 | 107.9 | ||||
| 1195 | N | 30.1 | Very low | 28.9 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | 56.2 | 137.8 | 99.9 | -80.7 | -33.5 | 0 | 0 | 0 | 116.7 | |||||
| 1196 | R | 28.5 | Very low | 28.9 | Very low | 202 Ų | 202 | 142.7 Ų | 142.7 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | cis | -177.1 | 169 | -2.4 | -135.7 | 176.4 | -148.9 | -150.3 | 0.1 | 112.8 | ||||
| 1197 | L | 30.2 | Very low | 28.8 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | 71.9 | 149.8 | 154.9 | -63.9 | 164.6 | 0 | 0 | 0 | 118.4 | ||||
| 1198 | A | 30.2 | Very low | 28.6 | Very low | 88 Ų | 88 | 140.7 Ų | 140.7 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -160.5 | 166.4 | -12 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1199 | N | 27 | Very low | 28.3 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -79.2 | 157 | 175.4 | -53.2 | -28.2 | 0 | 0 | 0 | 113.6 | ||||
| 1200 | V | 27.4 | Very low | 27.9 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 87% | 0.873 | 75% | 0.745 | S | S | * | * | trans | -145.9 | 152.4 | 133.6 | 171.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1201 | V | 28 | Very low | 27.8 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 67% | 0.667 | 74% | 0.742 | S | S | * | * | trans | -123.1 | 150.8 | -179.8 | 167.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1202 | Y | 26.4 | Very low | 27.5 | Very low | 222 Ų | 222 | 140.3 Ų | 140.3 | 87% | 0.871 | 76% | 0.755 | S | S | * | * | trans | -179.8 | 165 | 130.3 | -107.1 | -77.9 | 0 | 0 | 0 | 115 | ||||
| 1203 | S | 23.9 | Very low | 27.3 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | trans | -80.7 | 159.1 | -154 | -38.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1204 | S | 28.6 | Very low | 27.1 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | 82.5 | 147.4 | 126 | -75.1 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1205 | Q | 25.2 | Very low | 26.7 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | 92.5 | 118.7 | 147.3 | -82.7 | -178.8 | -68.9 | 0 | 0 | 122.8 | ||||
| 1206 | D | 25.7 | Very low | 26.5 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | trans | 74.3 | 111.1 | 132 | -59.4 | -18.9 | 0 | 0 | 0 | 123.6 | ||||
| 1207 | S | 25.4 | Very low | 26.3 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | 84.5 | 148.2 | 131 | 79.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1208 | G | 26.8 | Very low | 26 | Very low | 73 Ų | 73 | 144.1 Ų | 144.1 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 141.6 | 101.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1209 | F | 26 | Very low | 25.9 | Very low | 201 Ų | 201 | 146 Ų | 146 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | -51.1 | 162.7 | 160.8 | -63.5 | -103.6 | 0 | 0 | 0 | 113.1 | ||||
| 1210 | S | 25 | Very low | 25.9 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | cis | -175.1 | 159 | -17.5 | -93.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1211 | N | 25 | Very low | 25.8 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 44.8 | 117 | 155.2 | -61.5 | -13.5 | 0 | 0 | 0 | 120.2 | ||||
| 1212 | I | 26 | Very low | 25.8 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | -155.4 | 142.9 | 106.1 | -103.9 | 159.5 | 0 | 0 | 0 | 109.6 | |||||
| 1213 | T | 25.6 | Very low | 25.7 | Very low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -95.9 | 116.1 | -167.7 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1214 | H | 25.1 | Very low | 25.9 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | -174.7 | 175.6 | 140.8 | -109.5 | -80 | 0 | 0 | 0 | 109.5 | ||||
| 1215 | F | 23.8 | Very low | 25.8 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | trans | 76.1 | 115.5 | 179.8 | -71.3 | -90.1 | 0 | 0 | 0 | 118.5 | ||||
| 1216 | N | 25.9 | Very low | 25.8 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | 16.7 | 113.2 | 125.9 | -56.7 | -11.7 | 0 | 0 | 0 | 116.2 | |||||
| 1217 | R | 25.2 | Very low | 25.8 | Very low | 236 Ų | 236 | 154.6 Ų | 154.6 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -119.2 | 109.8 | 159.9 | -169.9 | 159.2 | -68.4 | -117.1 | -0.4 | 110.9 | ||||
| 1218 | L | 24.6 | Very low | 25.8 | Very low | 147 Ų | 147 | 155.4 Ų | 155.4 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 135.8 | 168.7 | -66.7 | 141.3 | 0 | 0 | 0 | 110 | ||
| 1219 | V | 27.9 | Very low | 25.9 | Very low | 126 Ų | 126 | 158 Ų | 158 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 125.4 | 158.6 | 179.4 | 0 | 0 | 0 | 0 | 106.9 | ||
| 1220 | Y | 26.1 | Very low | 25.9 | Very low | 193 Ų | 193 | 156.3 Ų | 156.3 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 144.7 | -175.5 | -81 | -105.9 | 0 | 0 | 0 | 111.7 | N1222 | Y1220-N1222 PolarHBondContact O-N 3.25Š|
| 1221 | P | 25.3 | Very low | 26 | Very low | 104 Ų | 104 | 161.5 Ų | 161.5 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 119.6 | 172.8 | 31.1 | -32.4 | 0 | 0 | 0 | 110.9 | N1223 | P1221-N1223 PolarHBondContact O-N 3Å; P1221-N1223 VanDerWaalsContact O-N 3.12Å |
| 1222 | N | 28.6 | Very low | 26.2 | Very low | 169 Ų | 169 | 158 Ų | 158 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -76 | 95.2 | 166.6 | -87.7 | -15.3 | 0 | 0 | 0 | 110 | Y1220 | Y1220-N1222 PolarHBondContact O-N 3.25Š| ||
| 1223 | N | 24.3 | Very low | 26.3 | Very low | 144 Ų | 144 | 157 Ų | 157 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -72.8 | 121.3 | 162.3 | -78.1 | -22 | 0 | 0 | 0 | 109.5 | P1221 | P1221-N1223 PolarHBondContact O-N 3Å; P1221-N1223 VanDerWaalsContact O-N 3.12Å | ||
| 1224 | F | 27.7 | Very low | 26.5 | Very low | 206 Ų | 206 | 156.9 Ų | 156.9 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -155.7 | 139.7 | 151.8 | -114.2 | -72.3 | 0 | 0 | 0 | 113.3 | ||||
| 1225 | S | 26.7 | Very low | 26.5 | Very low | 81 Ų | 81 | 158.6 Ų | 158.6 | 57% | 0.566 | 80% | 0.798 | S | S | * | * | trans | 40.7 | 84.6 | 164.4 | -62 | 0 | 0 | 0 | 0 | 119.8 | Y1227 | S1225-Y1227 PolarHBondContact O-N 2.99Š| ||
| 1226 | Q | 24.2 | Very low | 26.8 | Very low | 183 Ų | 183 | 160.4 Ų | 160.4 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | 3.8 | 110.9 | 113.4 | -179.9 | 179.8 | -2.2 | 0 | 0 | 115.9 | |||||
| 1227 | Y | 27 | Very low | 27.1 | Very low | 216 Ų | 216 | 158 Ų | 158 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -118.1 | 122.2 | 154.9 | -85.8 | -87.5 | 0 | 0 | 0 | 108.9 | S1225 | S1225-Y1227 PolarHBondContact O-N 2.99Š| ||
| 1228 | H | 25 | Very low | 27.4 | Very low | 147 Ų | 147 | 152.5 Ų | 152.5 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | trans | -94.5 | 116.9 | 171.8 | -175.9 | 2.7 | 0 | 0 | 0 | 108.6 | ||||
| 1229 | V | 29.7 | Very low | 27.5 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -114.7 | 153.4 | 162.4 | -178 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1230 | Q | 25.1 | Very low | 27.7 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -135.9 | 79.4 | -155.7 | -173.2 | -176.9 | -5.4 | 0 | 0 | 112.4 | ||||
| 1231 | E | 27.3 | Very low | 28 | Very low | 196 Ų | 196 | 150.3 Ų | 150.3 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -156.8 | 155.5 | 175 | -97.4 | 160.5 | -152.7 | 0 | 0 | 107.4 | ||||
| 1232 | G | 28.9 | Very low | 28.1 | Very low | 73 Ų | 73 | 150 Ų | 150 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | cis | -164.6 | 156.4 | -6.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1233 | T | 27.5 | Very low | 28.4 | Very low | 150 Ų | 150 | 149.9 Ų | 149.9 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | trans | -86 | 137.3 | -163.5 | 52.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1234 | S | 30.5 | Very low | 28.7 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -149.9 | 167 | 152.2 | -165 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1235 | R | 25.9 | Very low | 28.7 | Very low | 216 Ų | 216 | 145 Ų | 145 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | trans | -139.9 | 177.5 | -169.4 | -63.3 | -176.2 | -178.9 | 177.1 | 0.5 | 112.1 | ||||
| 1236 | Y | 30.2 | Very low | 29 | Very low | 218 Ų | 218 | 152.7 Ų | 152.7 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | 74.5 | 140.9 | -176.9 | -62.6 | -90.5 | 0 | 0 | 0 | 113.5 | ||||
| 1237 | S | 31.3 | Very low | 29.3 | Very low | 101 Ų | 101 | 152 Ų | 152 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -166.3 | -179.9 | -12.1 | -144.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1238 | P | 32.1 | Very low | 29.5 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | cis | -117.3 | 178 | -40.2 | 22.3 | -0.9 | 0 | 0 | 0 | 112.3 | ||||
| 1239 | R | 25.7 | Very low | 29.7 | Very low | 223 Ų | 223 | 147.2 Ų | 147.2 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -104.7 | 129.9 | 176.3 | -170.3 | -174 | -161.7 | -116.3 | 10.7 | 111 | ||||
| 1240 | P | 32.7 | Very low | 29.5 | Very low | 68 Ų | 68 | 145.5 Ų | 145.5 | 44% | 0.442 | 78% | 0.777 | S | S | . | * | trans | -68.7 | 156.8 | 174.5 | -22 | 34.8 | 0 | 0 | 0 | 113.8 | ||||
| 1241 | P | 31.8 | Very low | 29.7 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -76.2 | 164.1 | -177 | -12.6 | 29.7 | 0 | 0 | 0 | 113.7 | ||||
| 1242 | S | 27.8 | Very low | 29.7 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -124.1 | 105.3 | 179.5 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1243 | H | 34.7 | Very low | 29.7 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -141.3 | 143.6 | 163.8 | -80.9 | -105.4 | 0 | 0 | 0 | 106.8 | ||||
| 1244 | H | 31.7 | Very low | 29.6 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -131.7 | 159.5 | 2.1 | -117.7 | -79 | 0 | 0 | 0 | 111.5 | ||||
| 1245 | S | 27.3 | Very low | 29.5 | Very low | 78 Ų | 78 | 147.5 Ų | 147.5 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | trans | -73.9 | 139.3 | 174.9 | 146.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1246 | Y | 33.1 | Very low | 29.4 | Very low | 241 Ų | 241 | 143.2 Ų | 143.2 | 95% | 0.945 | 77% | 0.77 | S | S | * | * | trans | -130.2 | 147.4 | 141.2 | -106.8 | -88.6 | 0 | 0 | 0 | 110.7 | ||||
| 1247 | F | 29.4 | Very low | 29.3 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 74% | 0.737 | 76% | 0.757 | S | S | * | * | trans | -89.2 | 138.4 | -161.5 | -113.8 | -114.1 | 0 | 0 | 0 | 113.9 | K1249 | F1247-K1249 HydrophobicContact CD1-CG 4.39Š| ||
| 1248 | G | 31.2 | Very low | 29.1 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -152.5 | 91 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1249 | K | 29.6 | Very low | 28.9 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -78.7 | 149 | 174.1 | -66.3 | 178.1 | -174.2 | 176.7 | 0 | 109.3 | F1247 | F1247-K1249 HydrophobicContact CD1-CG 4.39Š| ||
| 1250 | A | 26.8 | Very low | 28.9 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | cis | -165.6 | -172.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1251 | K | 28.9 | Very low | 28.7 | Very low | 208 Ų | 208 | 135.8 Ų | 135.8 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | 99.3 | 94.8 | 168.5 | -61.6 | -172.1 | 176.1 | -178.3 | 0 | 116.7 | ||||
| 1252 | S | 27.4 | Very low | 28.5 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -66.6 | 145.5 | 156.1 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1253 | G | 27.5 | Very low | 28.5 | Very low | 63 Ų | 63 | 140.5 Ų | 140.5 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | 166.7 | 104.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1254 | I | 25.9 | Very low | 28.4 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | 66.7 | 125 | 144.8 | -49.4 | 163.7 | 0 | 0 | 0 | 113.6 | ||||
| 1255 | Y | 28.7 | Very low | 28.2 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | -151.5 | 125 | 66.4 | -85.5 | -88.2 | 0 | 0 | 0 | 113.2 | A1257 | Y1255-A1257 HydrophobicContact CD1-CB 3.95Š| |||
| 1256 | S | 24.2 | Very low | 28.3 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -111.8 | 131.9 | 131.3 | -63.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1257 | A | 27.2 | Very low | 28.1 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 59% | 0.587 | 79% | 0.791 | S | S | * | * | trans | -162.4 | 98.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1255 | Y1255-A1257 HydrophobicContact CD1-CB 3.95Š| ||
| 1258 | D | 26.8 | Very low | 28 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -71.1 | 135.7 | 159.7 | -58.5 | -78.2 | 0 | 0 | 0 | 109.4 | ||||
| 1259 | V | 29.2 | Very low | 27.9 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -138.8 | 125.4 | 168.6 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1260 | S | 24.2 | Very low | 27.8 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -101.1 | 177.7 | 174.8 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1261 | A | 29.9 | Very low | 27.9 | Very low | 86 Ų | 86 | 138.2 Ų | 138.2 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | 90.6 | 99.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1262 | N | 27.7 | Very low | 27.9 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | 41 | 132.7 | 114.7 | -57.3 | -3.2 | 0 | 0 | 0 | 121.9 | |||||
| 1263 | Q | 28.1 | Very low | 28.1 | Very low | 182 Ų | 182 | 132 Ų | 132 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | 67.7 | 155.6 | 154.9 | -65.7 | 169.9 | -37 | 0 | 0 | 114.9 | ||||
| 1264 | E | 31.6 | Very low | 28.2 | Very low | 192 Ų | 192 | 133.8 Ų | 133.8 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | cis | -125.6 | -160 | 13.4 | -71.4 | -176.9 | 118.3 | 0 | 0 | 114 | ||||
| 1265 | Q | 28.7 | Very low | 28.4 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -115.4 | 141.4 | -156.9 | -55.1 | 167.2 | -20.3 | 0 | 0 | 114.3 | ||||
| 1266 | S | 28.3 | Very low | 28.5 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 64.7 | 164.3 | 137.2 | 72.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1267 | A | 28.1 | Very low | 28.7 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | 72.8 | 150.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1268 | I | 28.6 | Very low | 28.7 | Very low | 139 Ų | 139 | 139 Ų | 139 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | cis | -173.2 | 138.2 | -38.9 | -113.8 | 159.2 | 0 | 0 | 0 | 108.2 | ||||
| 1269 | Q | 28.7 | Very low | 28.8 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | 57.7 | 174.1 | 164.4 | -70 | 169.7 | -30.4 | 0 | 0 | 117 | ||||
| 1270 | Q | 28.3 | Very low | 28.8 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | cis | -153.6 | 165.3 | -38 | -107.7 | 168.9 | -3.1 | 0 | 0 | 108.4 | ||||
| 1271 | S | 27.9 | Very low | 29.1 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 29 | 133.9 | 154.1 | 64.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1272 | A | 29.4 | Very low | 29.1 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | cis | -172 | 165.8 | 44.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1273 | V | 31.8 | Very low | 29.3 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.715 | 80% | 0.803 | S | S | * | * | trans | -26.7 | 142.4 | 157.7 | -133.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1274 | S | 29.7 | Very low | 29.4 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | cis | -165.6 | 144.4 | 49 | -57.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1275 | H | 30.6 | Very low | 29.9 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 44.3 | 112.1 | 134 | -65.5 | 63.6 | 0 | 0 | 0 | 121.1 | ||||
| 1276 | T | 29 | Very low | 30.4 | Very low | 147 Ų | 147 | 130 Ų | 130 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | -162.4 | 157.7 | 111.2 | 11.1 | 0 | 0 | 0 | 0 | 110.3 | N1278 | T1276-N1278 PolarHBondContact O-N 3.14Š| |||
| 1277 | M | 29 | Very low | 30.9 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -92.1 | 104.5 | -165.4 | -63.9 | -177.9 | -178.3 | 0 | 0 | 113.1 | ||||
| 1278 | N | 28.1 | Very low | 32.1 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | trans | -163.9 | 169.2 | 153.8 | -121.6 | -36.4 | 0 | 0 | 0 | 111.5 | T1276 | T1276-N1278 PolarHBondContact O-N 3.14Š| ||
| 1279 | A | 28.7 | Very low | 33.5 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | trans | 67.7 | 116.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1280 | Q | 29.2 | Very low | 35.4 | Very low | 195 Ų | 195 | 126.9 Ų | 126.9 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | trans | -135.6 | 167.9 | 163.5 | -74.4 | -172.6 | -18.3 | 0 | 0 | 109.2 | ||||
| 1281 | A | 29.8 | Very low | 37.5 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 92% | 0.917 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 68.4 | 46.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1282 | A | 30 | Very low | 39.6 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | trans | -139.5 | 55.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1283 | L | 32 | Very low | 41.8 | Very low | 166 Ų | 166 | 124.6 Ų | 124.6 | 87% | 0.869 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -127.1 | 140 | 171.4 | -79.2 | 167.8 | 0 | 0 | 0 | 110.5 | ||
| 1284 | G | 29.4 | Very low | 44.1 | Very low | 49 Ų | 49 | 123.7 Ų | 123.7 | 51% | 0.505 | 69% | 0.688 | S | S | . | * | trans | -71 | 157.8 | -153.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | K1286 | G1284-K1286 PolarHBondContact O-N 2.95Š| ||
| 1285 | P | 42.4 | Very low | 46.5 | Very low | 116 Ų | 116 | 122 Ų | 122 | 75% | 0.753 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 31 | -166.6 | 34.2 | -39.7 | 0 | 0 | 0 | 115.6 | ||
| 1286 | K | 39.8 | Very low | 49.1 | Very low | 179 Ų | 179 | 115.3 Ų | 115.3 | 78% | 0.778 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -44.8 | 177.5 | -75.4 | -169.9 | 174.3 | -176.5 | 0 | 113.3 | G1284 T1288 L1289 | G1284-K1286 PolarHBondContact O-N 2.95Å; K1286-T1288 VanDerWaalsContact C-N 3.32Å; K1286-T1288 PolarHBondContact O-N 2.83Å; K1286-L1289 PolarHBondContact O-N 2.89Å; K1286-L1289 VanDerWaalsContact O-N 3.15Å |
| 1287 | Q | 38.3 | Very low | 51.6 | Low | 133 Ų | 133 | 113.8 Ų | 113.8 | 62% | 0.621 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61 | -41.5 | 179.8 | -73.9 | 176.8 | -57.7 | 0 | 0 | 111.8 | L1289 E1290 D1291 | Q1287-L1289 PolarHBondContact O-N 2.84Å; Q1287-L1289 VanDerWaalsContact O-N 3.16Å; Q1287-E1290 PolarHBondContact O-N 3.27Å; Q1287-D1291 PolarHBondContact O-N 2.91Å |
| 1288 | T | 53.2 | Low | 54.2 | Low | 97 Ų | 97 | 109 Ų | 109 | 60% | 0.595 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61 | -24.3 | 177.7 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | K1286 R1292 | K1286-T1288 VanDerWaalsContact C-N 3.32Å; K1286-T1288 PolarHBondContact O-N 2.83Å; T1288-R1292 VanDerWaalsContact O-CB 3.23Å; T1288-R1292 WeakPolarHBondContact O-CB 3.35Å; T1288-R1292 PolarHBondContact O-N 3.09Å |
| 1289 | L | 57.7 | Low | 57 | Low | 93 Ų | 93 | 104.2 Ų | 104.2 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.6 | -47.2 | 175.9 | -169.4 | 77.6 | 0 | 0 | 0 | 111.4 | K1286 Q1287 R1292 Q1293 | K1286-L1289 PolarHBondContact O-N 2.89Å; K1286-L1289 VanDerWaalsContact O-N 3.15Å; Q1287-L1289 PolarHBondContact O-N 2.84Å; Q1287-L1289 VanDerWaalsContact O-N 3.16Å; L1289-R1292 PolarHBondContact O-N 2.87Å; L1289-Q1293 PolarHBondContact O-N 3.34Å |
| 1290 | E | 69.2 | Low | 59.8 | Low | 106 Ų | 106 | 99.7 Ų | 99.7 | 50% | 0.495 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 177.4 | -69.1 | -172.7 | -168.7 | 0 | 0 | 111.5 | Q1287 R1292 Q1293 K1294 | Q1287-E1290 PolarHBondContact O-N 3.27Å; E1290-R1292 VanDerWaalsContact C-N 3.28Å; E1290-R1292 PolarHBondContact O-N 2.93Å; E1290-Q1293 CarbonylContact O-C 3.54Å; E1290-Q1293 WeakPolarHBondContact O-CA 3.43Å; E1290-Q1293 WeakPolarHBondContact O-CB 3.27Å; E1290-Q1293 PolarHBondContact O-N 3.37Å; E1290-K1294 VanDerWaalsContact O-CG 3.3Å; E1290-K1294 WeakPolarHBondContact O-CG 3.33Å; E1290-K1294 PolarHBondContact O-N 3.13Å; E1290-K1294 IonicContact OE2-NZ 3.04Å; E1290-K1294 PolarHBondContact OE2-NZ 2.87Å |
| 1291 | D | 72.8 | Confident | 62.4 | Low | 85 Ų | 85 | 93.3 Ų | 93.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -31.5 | -178.1 | -62.8 | -24.7 | 0 | 0 | 0 | 111.2 | Q1287 K1294 S1295 | Q1287-D1291 PolarHBondContact O-N 2.91Å; D1291-K1294 PolarHBondContact O-N 3.35Å; D1291-K1294 WeakPolarHBondContact OD1-CD 3.26Å; D1291-K1294 IonicContact OD1-NZ 3.29Å; D1291-K1294 PolarHBondContact OD1-NZ 2.97Å; D1291-S1295 WeakPolarHBondContact O-CB 3.3Å; D1291-S1295 PolarHBondContact O-N 3.08Å |
| 1292 | R | 72.6 | Confident | 65.1 | Low | 133 Ų | 133 | 91.5 Ų | 91.5 | 50% | 0.502 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 166.9 | -169.5 | 171.8 | 75.3 | 115.5 | -9.7 | 112.4 | T1288 L1289 E1290 S1295 Q1296 | T1288-R1292 VanDerWaalsContact O-CB 3.23Å; T1288-R1292 WeakPolarHBondContact O-CB 3.35Å; T1288-R1292 PolarHBondContact O-N 3.09Å; L1289-R1292 PolarHBondContact O-N 2.87Å; E1290-R1292 VanDerWaalsContact C-N 3.28Å; E1290-R1292 PolarHBondContact O-N 2.93Å; R1292-S1295 PolarHBondContact O-N 3.26Å; R1292-Q1296 WeakPolarHBondContact O-CB 3.33Å; R1292-Q1296 VanDerWaalsContact O-CG 3.27Å; R1292-Q1296 WeakPolarHBondContact O-CG 3.48Å; R1292-Q1296 PolarHBondContact O-N 3.09Å |
| 1293 | Q | 74.3 | Confident | 67.7 | Low | 91 Ų | 91 | 87.1 Ų | 87.1 | 43% | 0.425 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 173.9 | -77.6 | 178 | -28 | 0 | 0 | 112.3 | L1289 E1290 Q1296 K1297 | L1289-Q1293 PolarHBondContact O-N 3.34Å; E1290-Q1293 CarbonylContact O-C 3.54Å; E1290-Q1293 WeakPolarHBondContact O-CA 3.43Å; E1290-Q1293 WeakPolarHBondContact O-CB 3.27Å; E1290-Q1293 PolarHBondContact O-N 3.37Å; Q1293-Q1296 PolarHBondContact O-N 3.46Å; Q1293-K1297 WeakPolarHBondContact O-CB 3.43Å; Q1293-K1297 PolarHBondContact O-N 3.28Å |
| 1294 | K | 79.8 | Confident | 70.2 | Confident | 99 Ų | 99 | 80.5 Ų | 80.5 | 43% | 0.43 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 174.5 | -66.5 | 162.6 | -155.9 | 156.2 | 0 | 110.5 | E1290 D1291 K1297 L1298 | E1290-K1294 VanDerWaalsContact O-CG 3.3Å; E1290-K1294 WeakPolarHBondContact O-CG 3.33Å; E1290-K1294 PolarHBondContact O-N 3.13Å; E1290-K1294 IonicContact OE2-NZ 3.04Å; E1290-K1294 PolarHBondContact OE2-NZ 2.87Å; D1291-K1294 PolarHBondContact O-N 3.35Å; D1291-K1294 WeakPolarHBondContact OD1-CD 3.26Å; D1291-K1294 IonicContact OD1-NZ 3.29Å; D1291-K1294 PolarHBondContact OD1-NZ 2.97Å; K1294-K1297 PolarHBondContact O-N 3.46Å; K1294-L1298 WeakPolarHBondContact O-CG 3.47Å; K1294-L1298 PolarHBondContact O-N 3.37Å |
| 1295 | S | 81 | Confident | 72.7 | Confident | 64 Ų | 64 | 85.4 Ų | 85.4 | 45% | 0.448 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 112.6 | D1291 R1292 K1297 L1298 L1299 | D1291-S1295 WeakPolarHBondContact O-CB 3.3Å; D1291-S1295 PolarHBondContact O-N 3.08Å; R1292-S1295 PolarHBondContact O-N 3.26Å; S1295-K1297 VanDerWaalsContact C-N 3.32Å; S1295-K1297 PolarHBondContact O-N 2.86Å; S1295-L1298 PolarHBondContact O-N 3.3Å; S1295-L1299 WeakPolarHBondContact O-CG 3.38Å; S1295-L1299 PolarHBondContact O-N 3.1Å |
| 1296 | Q | 84 | Confident | 74.6 | Confident | 15 Ų | 15 | 83.6 Ų | 83.6 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.8 | -33.3 | 176.9 | -71.8 | -171.8 | -62.1 | 0 | 0 | 113 | R1292 Q1293 L1300 S1320 L1324 | R1292-Q1296 WeakPolarHBondContact O-CB 3.33Å; R1292-Q1296 VanDerWaalsContact O-CG 3.27Å; R1292-Q1296 WeakPolarHBondContact O-CG 3.48Å; R1292-Q1296 PolarHBondContact O-N 3.09Å; Q1293-Q1296 PolarHBondContact O-N 3.46Å; Q1296-L1300 PolarHBondContact O-N 3.35Å; Q1296-S1320 WeakPolarHBondContact CG-OG 3.24Å; Q1296-S1320 WeakPolarHBondContact O-CB 3.43Å; Q1296-L1324 HydrophobicContact CB-CD1 3.77Å |
| 1297 | K | 82.2 | Confident | 76.7 | Confident | 115 Ų | 115 | 78.5 Ų | 78.5 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 173.3 | -173 | 172.1 | -174.6 | -78.5 | 0 | 111.7 | Q1293 K1294 S1295 L1300 E1301 L1324 | Q1293-K1297 WeakPolarHBondContact O-CB 3.43Å; Q1293-K1297 PolarHBondContact O-N 3.28Å; K1294-K1297 PolarHBondContact O-N 3.46Å; S1295-K1297 VanDerWaalsContact C-N 3.32Å; S1295-K1297 PolarHBondContact O-N 2.86Å; K1297-L1300 PolarHBondContact O-N 3.3Å; K1297-E1301 IonicContact NZ-OE1 3.15Å; K1297-E1301 PolarHBondContact NZ-OE1 3.03Å; K1297-E1301 PolarHBondContact O-N 2.89Å; K1297-L1324 HydrophobicContact CB-CD1 4.31Å |
| 1298 | L | 84.3 | Confident | 78.9 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 175 | -73.3 | 167.8 | 0 | 0 | 0 | 111.8 | K1294 S1295 L1300 E1301 D1302 | K1294-L1298 WeakPolarHBondContact O-CG 3.47Å; K1294-L1298 PolarHBondContact O-N 3.37Å; S1295-L1298 PolarHBondContact O-N 3.3Å; L1298-L1300 PolarHBondContact O-N 3.5Å; L1298-E1301 PolarHBondContact O-N 2.83Å; L1298-E1301 VanDerWaalsContact O-N 3.14Å; L1298-D1302 WeakPolarHBondContact O-CB 3.33Å; L1298-D1302 PolarHBondContact O-N 3.18Å |
| 1299 | L | 86.9 | Confident | 80.6 | Confident | 67 Ų | 67 | 72 Ų | 72 | 35% | 0.351 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.5 | -37.1 | 175.7 | -72.4 | 173.8 | 0 | 0 | 0 | 113.3 | S1295 A1303 | S1295-L1299 WeakPolarHBondContact O-CG 3.38Å; S1295-L1299 PolarHBondContact O-N 3.1Å; L1299-A1303 WeakPolarHBondContact O-CB 3.49Å; L1299-A1303 PolarHBondContact O-N 2.86Å; L1299-A1303 VanDerWaalsContact O-N 3.14Å |
| 1300 | L | 86.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.1 | -43.1 | 176.4 | -64 | 175 | 0 | 0 | 0 | 112.2 | Q1296 K1297 L1298 D1302 A1303 I1304 W1313 I1317 W1321 L1324 W1325 | Q1296-L1300 PolarHBondContact O-N 3.35Å; K1297-L1300 PolarHBondContact O-N 3.3Å; L1298-L1300 PolarHBondContact O-N 3.5Å; L1300-D1302 VanDerWaalsContact C-N 3.32Å; L1300-D1302 PolarHBondContact O-N 3.16Å; L1300-A1303 PolarHBondContact O-N 3.35Å; L1300-I1304 WeakPolarHBondContact O-CG1 3.49Å; L1300-I1304 PolarHBondContact O-N 3.14Å; L1300-I1304 VanDerWaalsContact O-N 3.14Å; L1300-W1313 HydrophobicContact CD2-CZ3 4.22Å; L1300-I1317 HydrophobicContact CD2-CG2 3.97Å; L1300-W1321 HydrophobicContact CD2-CB 3.64Å; L1300-L1324 HydrophobicContact CD1-CB 4.18Å; L1300-L1324 HydrophobicContact CD1-CD1 4.05Å; L1300-W1325 HydrophobicContact CD1-CD2 4.36Å; L1300-W1325 HydrophobicContact CD1-CG 4.27Å |
| 1301 | E | 84.1 | Confident | 83.3 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 28% | 0.28 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.7 | -72.4 | -178.1 | -147.1 | 0 | 0 | 111.5 | K1297 L1298 I1304 R1305 | K1297-E1301 IonicContact NZ-OE1 3.15Å; K1297-E1301 PolarHBondContact NZ-OE1 3.03Å; K1297-E1301 PolarHBondContact O-N 2.89Å; L1298-E1301 PolarHBondContact O-N 2.83Å; L1298-E1301 VanDerWaalsContact O-N 3.14Å; E1301-I1304 PolarHBondContact O-N 3.01Å; E1301-R1305 VanDerWaalsContact O-CB 3.32Å; E1301-R1305 WeakPolarHBondContact O-CB 3.38Å; E1301-R1305 WeakPolarHBondContact O-CD 3.49Å; E1301-R1305 WeakPolarHBondContact O-CG 3.43Å; E1301-R1305 PolarHBondContact O-N 3.48Å; E1301-R1305 IonicContact OE2-CZ 3.96Å; E1301-R1305 IonicContact OE2-NH2 2.79Å; E1301-R1305 PolarHBondContact OE2-NH2 3.27Å |
| 1302 | D | 86.2 | Confident | 84.2 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71 | -36.7 | 178.9 | -69.7 | -35.5 | 0 | 0 | 0 | 112.7 | L1298 L1300 I1304 R1305 S1306 | L1298-D1302 WeakPolarHBondContact O-CB 3.33Å; L1298-D1302 PolarHBondContact O-N 3.18Å; L1300-D1302 VanDerWaalsContact C-N 3.32Å; L1300-D1302 PolarHBondContact O-N 3.16Å; D1302-I1304 VanDerWaalsContact C-N 3.28Å; D1302-I1304 PolarHBondContact O-N 3.14Å; D1302-R1305 WeakPolarHBondContact OD1-CD 3.37Å; D1302-R1305 IonicContact OD1-CZ 2.79Å; D1302-R1305 IonicContact OD1-NE 2.82Å; D1302-R1305 IonicContact OD1-NH1 3.84Å; D1302-R1305 PolarHBondContact OD1-NH1 3.46Å; D1302-S1306 WeakPolarHBondContact O-CB 3.48Å; D1302-S1306 PolarHBondContact O-N 3.48Å; D1302-S1306 PolarHBondContact O-OG 2.62Å |
| 1303 | A | 85.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.033 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -36.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1299 L1300 S1306 L1308 W1313 I1317 | L1299-A1303 WeakPolarHBondContact O-CB 3.49Å; L1299-A1303 PolarHBondContact O-N 2.86Å; L1299-A1303 VanDerWaalsContact O-N 3.14Å; L1300-A1303 PolarHBondContact O-N 3.35Å; A1303-S1306 PolarHBondContact O-OG 2.65Å; A1303-S1306 VanDerWaalsContact O-OG 3.1Å; A1303-L1308 VanDerWaalsContact O-CB 3.3Å; A1303-L1308 WeakPolarHBondContact O-CB 3.37Å; A1303-L1308 PolarHBondContact O-N 2.9Å; A1303-L1308 VanDerWaalsContact O-N 3.08Å; A1303-W1313 HydrophobicContact CB-CZ2 4.38Å; A1303-I1317 HydrophobicContact CB-CD1 4.25Å; A1303-I1317 HydrophobicContact CB-CG2 3.92Å |
| 1304 | I | 83.2 | Confident | 86.1 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 14% | 0.144 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -82.9 | -39.8 | -180 | -68.1 | 168.5 | 0 | 0 | 0 | 111.6 | L1300 E1301 D1302 S1306 N1307 W1313 W1325 F1379 L1383 | L1300-I1304 WeakPolarHBondContact O-CG1 3.49Å; L1300-I1304 PolarHBondContact O-N 3.14Å; L1300-I1304 VanDerWaalsContact O-N 3.14Å; E1301-I1304 PolarHBondContact O-N 3.01Å; D1302-I1304 VanDerWaalsContact C-N 3.28Å; D1302-I1304 PolarHBondContact O-N 3.14Å; I1304-S1306 PolarHBondContact O-N 3.21Å; I1304-N1307 PolarHBondContact O-N 2.79Å; I1304-N1307 PolarHBondContact O-OD1 2.68Å; I1304-W1313 HydrophobicContact CG1-CH2 4.47Å; I1304-W1313 HydrophobicContact CG1-CZ2 4.14Å; I1304-W1325 HydrophobicContact CD1-CH2 3.24Å; I1304-W1325 HydrophobicContact CD1-CZ2 4.18Å; I1304-W1325 HydrophobicContact CD1-CZ3 3.64Å; I1304-F1379 HydrophobicContact CD1-CE1 4.13Å; I1304-F1379 HydrophobicContact CG1-CE1 4.38Å; I1304-F1379 HydrophobicContact CG2-CE1 4.39Å; I1304-F1379 HydrophobicContact CG2-CZ 4.35Å; I1304-L1383 HydrophobicContact CG2-CD1 4.1Å |
| 1305 | R | 82.8 | Confident | 86.7 | Confident | 152 Ų | 152 | 53.1 Ų | 53.1 | 57% | 0.574 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60 | -28.2 | 172.8 | -71.2 | 161.3 | -166.4 | 177.5 | 0.9 | 112.5 | E1301 D1302 N1307 | E1301-R1305 VanDerWaalsContact O-CB 3.32Å; E1301-R1305 WeakPolarHBondContact O-CB 3.38Å; E1301-R1305 WeakPolarHBondContact O-CD 3.49Å; E1301-R1305 WeakPolarHBondContact O-CG 3.43Å; E1301-R1305 PolarHBondContact O-N 3.48Å; E1301-R1305 IonicContact OE2-CZ 3.96Å; E1301-R1305 IonicContact OE2-NH2 2.79Å; E1301-R1305 PolarHBondContact OE2-NH2 3.27Å; D1302-R1305 WeakPolarHBondContact OD1-CD 3.37Å; D1302-R1305 IonicContact OD1-CZ 2.79Å; D1302-R1305 IonicContact OD1-NE 2.82Å; D1302-R1305 IonicContact OD1-NH1 3.84Å; D1302-R1305 PolarHBondContact OD1-NH1 3.46Å; R1305-N1307 VanDerWaalsContact C-N 3.34Å |
| 1306 | S | 82.7 | Confident | 87.2 | Confident | 78 Ų | 78 | 53.7 Ų | 53.7 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 4.2 | 175.6 | 54.1 | 0 | 0 | 0 | 0 | 114 | D1302 A1303 I1304 L1308 | D1302-S1306 WeakPolarHBondContact O-CB 3.48Å; D1302-S1306 PolarHBondContact O-N 3.48Å; D1302-S1306 PolarHBondContact O-OG 2.62Å; A1303-S1306 PolarHBondContact O-OG 2.65Å; A1303-S1306 VanDerWaalsContact O-OG 3.1Å; I1304-S1306 PolarHBondContact O-N 3.21Å; S1306-L1308 PolarHBondContact O-N 3.5Å |
| 1307 | N | 83.6 | Confident | 87.7 | Confident | 71 Ų | 71 | 54 Ų | 54 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 33.8 | -175.6 | -65.2 | -19.1 | 0 | 0 | 0 | 113.2 | I1304 R1305 P1309 L1383 | I1304-N1307 PolarHBondContact O-N 2.79Å; I1304-N1307 PolarHBondContact O-OD1 2.68Å; R1305-N1307 VanDerWaalsContact C-N 3.34Å; N1307-P1309 WeakPolarHBondContact O-CD 3.3Å; N1307-L1383 HydrophobicContact CB-CB 4.32Å |
| 1308 | L | 85.5 | Confident | 88.2 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | trans | -69.8 | 119.2 | -176.6 | -170.2 | 70.9 | 0 | 0 | 0 | 109.6 | A1303 S1306 W1313 I1317 | A1303-L1308 VanDerWaalsContact O-CB 3.3Å; A1303-L1308 WeakPolarHBondContact O-CB 3.37Å; A1303-L1308 PolarHBondContact O-N 2.9Å; A1303-L1308 VanDerWaalsContact O-N 3.08Å; S1306-L1308 PolarHBondContact O-N 3.5Å; L1308-W1313 HydrophobicContact CD2-CG 4.49Å; L1308-W1313 PolarHBondContact O-NE1 2.67Å; L1308-I1317 HydrophobicContact CD2-CD1 4.44Å | ||
| 1309 | P | 88.6 | Confident | 88.6 | Confident | 43 Ų | 43 | 45.2 Ų | 45.2 | 28% | 0.279 | 26% | 0.255 | S | S | . | . | trans | -61.9 | 143.6 | 177.4 | 25.9 | -34.3 | 0 | 0 | 0 | 110.4 | N1307 T1311 S1312 W1313 T1384 | N1307-P1309 WeakPolarHBondContact O-CD 3.3Å; P1309-T1311 PolarHBondContact O-N 2.65Å; P1309-T1311 VanDerWaalsContact O-N 3.09Å; P1309-S1312 PolarHBondContact O-N 3.45Å; P1309-W1313 VanDerWaalsContact O-CD1 3.24Å; P1309-T1384 HydrophobicContact CB-CG2 4.47Å | ||
| 1310 | F | 91.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -53.8 | -36 | -173.6 | 178.1 | -104.6 | 0 | 0 | 0 | 113.4 | S1312 W1313 L1318 W1321 G1343 L1346 A1347 V1373 M1376 L1377 T1380 | F1310-S1312 PolarHBondContact O-N 2.92Å; F1310-W1313 AromaticContact CD2-CD2 3.86Å; F1310-W1313 HydrophobicContact CD2-CD2 3.86Å; F1310-W1313 AromaticContact CD2-CE3 3.69Å; F1310-W1313 HydrophobicContact CD2-CE3 3.69Å; F1310-W1313 HydrophobicContact CD2-CG 4.34Å; F1310-W1313 HydrophobicContact CD2-CZ3 4.06Å; F1310-W1313 AromaticContact CE2-CE3 3.96Å; F1310-W1313 HydrophobicContact CE2-CE3 3.96Å; F1310-W1313 HydrophobicContact CE2-CZ3 4.3Å; F1310-W1313 WeakPolarHBondContact O-CB 3.26Å; F1310-W1313 PolarHBondContact O-N 2.77Å; F1310-L1318 HydrophobicContact CE2-CD2 3.68Å; F1310-L1318 HydrophobicContact CZ-CD2 3.87Å; F1310-W1321 HydrophobicContact CE2-CD2 4.29Å; F1310-W1321 AromaticContact CE2-CE3 3.95Å; F1310-W1321 HydrophobicContact CE2-CE3 3.95Å; F1310-W1321 HydrophobicContact CE2-CH2 4.12Å; F1310-W1321 HydrophobicContact CE2-CZ2 4.44Å; F1310-W1321 AromaticContact CE2-CZ3 3.87Å; F1310-W1321 HydrophobicContact CE2-CZ3 3.87Å; F1310-W1321 HydrophobicContact CZ-CE3 4.26Å; F1310-W1321 HydrophobicContact CZ-CH2 4Å; F1310-W1321 AromaticContact CZ-CZ3 3.76Å; F1310-W1321 HydrophobicContact CZ-CZ3 3.76Å; F1310-G1343 WeakPolarHBondContact O-CA 3.45Å; F1310-L1346 HydrophobicContact CZ-CD2 4.13Å; F1310-L1346 HydrophobicContact CZ-CG 4.49Å; F1310-A1347 HydrophobicContact CE1-CB 4.48Å; F1310-V1373 HydrophobicContact CE1-CG1 4.03Å; F1310-V1373 HydrophobicContact CE1-CG2 4.45Å; F1310-V1373 HydrophobicContact CZ-CG2 4.32Å; F1310-M1376 HydrophobicContact CB-CG 4.1Å; F1310-M1376 HydrophobicContact CD2-CB 4.07Å; F1310-M1376 HydrophobicContact CD2-CG 3.23Å; F1310-M1376 HydrophobicContact CE2-CB 4.3Å; F1310-M1376 HydrophobicContact CE2-CG 3.75Å; F1310-M1376 HydrophobicContact CG-CB 4.39Å; F1310-M1376 HydrophobicContact CG-CG 3.8Å; F1310-L1377 HydrophobicContact CB-CD2 4.25Å; F1310-L1377 HydrophobicContact CD1-CD2 3.88Å; F1310-L1377 HydrophobicContact CD1-CG 4Å; F1310-T1380 HydrophobicContact CB-CG2 4.2Å; F1310-T1380 WeakPolarHBondContact CB-OG1 3.34Å; F1310-T1380 PolarHBondContact N-OG1 3.37Å |
| 1311 | T | 91.6 | Very high | 89.2 | Confident | 61 Ų | 61 | 42.1 Ų | 42.1 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -55.7 | -31.9 | 175.7 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | P1309 A1344 L1377 | P1309-T1311 PolarHBondContact O-N 2.65Å; P1309-T1311 VanDerWaalsContact O-N 3.09Å; T1311-A1344 WeakPolarHBondContact O-CB 3.39Å; T1311-A1344 PolarHBondContact O-N 3Å; T1311-L1377 HydrophobicContact CG2-CD2 4.09Å |
| 1312 | S | 90.7 | Very high | 89.6 | Confident | 70 Ų | 70 | 39.3 Ų | 39.3 | 49% | 0.49 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -89.3 | 1.5 | 179.4 | -60.5 | 0 | 0 | 0 | 0 | 114.2 | P1309 F1310 | P1309-S1312 PolarHBondContact O-N 3.45Å; F1310-S1312 PolarHBondContact O-N 2.92Å |
| 1313 | W | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -70.4 | 135.5 | 178.9 | -70.8 | 19.8 | 0 | 0 | 0 | 110.9 | L1300 A1303 I1304 L1308 P1309 F1310 I1317 L1318 W1321 S1342 G1343 M1376 T1380 | L1300-W1313 HydrophobicContact CD2-CZ3 4.22Å; A1303-W1313 HydrophobicContact CB-CZ2 4.38Å; I1304-W1313 HydrophobicContact CG1-CH2 4.47Å; I1304-W1313 HydrophobicContact CG1-CZ2 4.14Å; L1308-W1313 HydrophobicContact CD2-CG 4.49Å; L1308-W1313 PolarHBondContact O-NE1 2.67Å; P1309-W1313 VanDerWaalsContact O-CD1 3.24Å; F1310-W1313 AromaticContact CD2-CD2 3.86Å; F1310-W1313 HydrophobicContact CD2-CD2 3.86Å; F1310-W1313 AromaticContact CD2-CE3 3.69Å; F1310-W1313 HydrophobicContact CD2-CE3 3.69Å; F1310-W1313 HydrophobicContact CD2-CG 4.34Å; F1310-W1313 HydrophobicContact CD2-CZ3 4.06Å; F1310-W1313 AromaticContact CE2-CE3 3.96Å; F1310-W1313 HydrophobicContact CE2-CE3 3.96Å; F1310-W1313 HydrophobicContact CE2-CZ3 4.3Å; F1310-W1313 WeakPolarHBondContact O-CB 3.26Å; F1310-W1313 PolarHBondContact O-N 2.77Å; W1313-I1317 HydrophobicContact CB-CB 4.42Å; W1313-I1317 HydrophobicContact CB-CG2 4.29Å; W1313-I1317 HydrophobicContact CD2-CG2 3.79Å; W1313-I1317 HydrophobicContact CE3-CG2 3.6Å; W1313-I1317 HydrophobicContact CG-CG2 4.12Å; W1313-I1317 HydrophobicContact CZ3-CG2 4.21Å; W1313-L1318 HydrophobicContact CB-CD2 4.06Å; W1313-L1318 HydrophobicContact CB-CG 4.48Å; W1313-L1318 HydrophobicContact CE3-CD2 4.33Å; W1313-W1321 HydrophobicContact CZ3-CB 3.99Å; W1313-W1321 AromaticContact CZ3-CG 3.93Å; W1313-W1321 HydrophobicContact CZ3-CG 3.93Å; W1313-S1342 CarbonylContact O-C 3.53Å; W1313-S1342 VanDerWaalsContact O-CA 3.32Å; W1313-S1342 WeakPolarHBondContact O-CA 3.35Å; W1313-G1343 PolarHBondContact O-N 3.08Å; W1313-M1376 HydrophobicContact CH2-CE 4.01Å; W1313-M1376 HydrophobicContact CH2-CG 4.14Å; W1313-M1376 HydrophobicContact CH2-SD 3.58Å; W1313-M1376 VanDerWaalsContact CH2-SD 3.58Å; W1313-M1376 HydrophobicContact CZ2-SD 4.02Å; W1313-M1376 HydrophobicContact CZ3-CG 4.36Å; W1313-M1376 HydrophobicContact CZ3-SD 4.31Å; W1313-T1380 HydrophobicContact CZ2-CG2 3.97Å | ||
| 1314 | S | 93.3 | Very high | 89.9 | Confident | 56 Ų | 56 | 41.2 Ų | 41.2 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -85.4 | 158.7 | 178.7 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | I1317 L1318 | S1314-I1317 WeakPolarHBondContact O-CA 3.36Å; S1314-I1317 WeakPolarHBondContact O-CB 3.16Å; S1314-I1317 PolarHBondContact O-N 3.05Å; S1314-I1317 WeakPolarHBondContact OG-CD1 3.42Å; S1314-L1318 PolarHBondContact O-N 2.85Å |
| 1315 | S | 92.4 | Very high | 90.1 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -48.7 | -43 | -178.2 | -163.7 | 0 | 0 | 0 | 0 | 114.9 | I1317 L1318 V1319 I1340 K1341 | S1315-I1317 VanDerWaalsContact C-N 3.3Å; S1315-I1317 PolarHBondContact O-N 3.18Å; S1315-L1318 PolarHBondContact O-N 3.31Å; S1315-V1319 WeakPolarHBondContact O-CB 3.32Å; S1315-V1319 WeakPolarHBondContact O-CG2 3.33Å; S1315-V1319 PolarHBondContact O-N 3.49Å; S1315-I1340 WeakPolarHBondContact CB-O 3.21Å; S1315-I1340 PolarHBondContact OG-O 2.94Å; S1315-K1341 PolarHBondContact N-O 3.25Å; S1315-K1341 VanDerWaalsContact N-O 3.13Å |
| 1316 | P | 92.8 | Very high | 90.5 | Very high | 77 Ų | 77 | 34.5 Ų | 34.5 | 50% | 0.5 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.7 | -30.3 | 175.3 | -24.4 | 35.9 | 0 | 0 | 0 | 114.8 | S1320 | P1316-S1320 WeakPolarHBondContact O-CB 3.31Å; P1316-S1320 PolarHBondContact O-N 3.5Å; P1316-S1320 VanDerWaalsContact O-N 3.17Å; P1316-S1320 PolarHBondContact O-OG 2.91Å |
| 1317 | I | 93.1 | Very high | 90.8 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.9 | -45.5 | 174.9 | -55.5 | 172.5 | 0 | 0 | 0 | 108.9 | L1300 A1303 L1308 W1313 S1314 S1315 V1319 S1320 W1321 | L1300-I1317 HydrophobicContact CD2-CG2 3.97Å; A1303-I1317 HydrophobicContact CB-CD1 4.25Å; A1303-I1317 HydrophobicContact CB-CG2 3.92Å; L1308-I1317 HydrophobicContact CD2-CD1 4.44Å; W1313-I1317 HydrophobicContact CB-CB 4.42Å; W1313-I1317 HydrophobicContact CB-CG2 4.29Å; W1313-I1317 HydrophobicContact CD2-CG2 3.79Å; W1313-I1317 HydrophobicContact CE3-CG2 3.6Å; W1313-I1317 HydrophobicContact CG-CG2 4.12Å; W1313-I1317 HydrophobicContact CZ3-CG2 4.21Å; S1314-I1317 WeakPolarHBondContact O-CA 3.36Å; S1314-I1317 WeakPolarHBondContact O-CB 3.16Å; S1314-I1317 PolarHBondContact O-N 3.05Å; S1314-I1317 WeakPolarHBondContact OG-CD1 3.42Å; S1315-I1317 VanDerWaalsContact C-N 3.3Å; S1315-I1317 PolarHBondContact O-N 3.18Å; I1317-V1319 PolarHBondContact O-N 3.23Å; I1317-S1320 WeakPolarHBondContact O-CB 3.4Å; I1317-S1320 PolarHBondContact O-N 3.17Å; I1317-S1320 VanDerWaalsContact O-N 3.16Å; I1317-W1321 WeakPolarHBondContact O-CB 3.5Å; I1317-W1321 PolarHBondContact O-N 3.45Å |
| 1318 | L | 93.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.6 | -64.2 | -179.3 | 0 | 0 | 0 | 112.6 | F1310 W1313 S1314 S1315 S1320 W1321 L1322 I1340 L1346 | F1310-L1318 HydrophobicContact CE2-CD2 3.68Å; F1310-L1318 HydrophobicContact CZ-CD2 3.87Å; W1313-L1318 HydrophobicContact CB-CD2 4.06Å; W1313-L1318 HydrophobicContact CB-CG 4.48Å; W1313-L1318 HydrophobicContact CE3-CD2 4.33Å; S1314-L1318 PolarHBondContact O-N 2.85Å; S1315-L1318 PolarHBondContact O-N 3.31Å; L1318-S1320 PolarHBondContact O-N 2.9Å; L1318-W1321 HydrophobicContact CD2-CE3 4.46Å; L1318-W1321 PolarHBondContact O-N 2.95Å; L1318-W1321 VanDerWaalsContact O-N 3.14Å; L1318-L1322 WeakPolarHBondContact O-CB 3.42Å; L1318-L1322 VanDerWaalsContact O-CG 3.26Å; L1318-L1322 WeakPolarHBondContact O-CG 3.47Å; L1318-L1322 PolarHBondContact O-N 3.46Å; L1318-I1340 HydrophobicContact CD1-CG2 3.7Å; L1318-L1346 HydrophobicContact CD1-CD2 4.45Å; L1318-L1346 HydrophobicContact CD2-CD2 4.34Å |
| 1319 | V | 93 | Very high | 91.5 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.1 | -38.2 | 175.7 | 163.1 | 0 | 0 | 0 | 0 | 111.2 | S1315 I1317 K1323 V1333 E1337 | S1315-V1319 WeakPolarHBondContact O-CB 3.32Å; S1315-V1319 WeakPolarHBondContact O-CG2 3.33Å; S1315-V1319 PolarHBondContact O-N 3.49Å; I1317-V1319 PolarHBondContact O-N 3.23Å; V1319-K1323 WeakPolarHBondContact O-CB 3.39Å; V1319-K1323 PolarHBondContact O-N 3.15Å; V1319-V1333 HydrophobicContact CB-CG1 4.31Å; V1319-V1333 HydrophobicContact CG1-CG1 3.79Å; V1319-V1333 HydrophobicContact CG2-CG1 4.31Å; V1319-E1337 HydrophobicContact CG2-CB 3.68Å; V1319-E1337 HydrophobicContact CG2-CG 3.82Å |
| 1320 | S | 91.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.7 | -42.8 | 174.7 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | Q1296 P1316 I1317 L1318 L1324 | Q1296-S1320 WeakPolarHBondContact CG-OG 3.24Å; Q1296-S1320 WeakPolarHBondContact O-CB 3.43Å; P1316-S1320 WeakPolarHBondContact O-CB 3.31Å; P1316-S1320 PolarHBondContact O-N 3.5Å; P1316-S1320 VanDerWaalsContact O-N 3.17Å; P1316-S1320 PolarHBondContact O-OG 2.91Å; I1317-S1320 WeakPolarHBondContact O-CB 3.4Å; I1317-S1320 PolarHBondContact O-N 3.17Å; I1317-S1320 VanDerWaalsContact O-N 3.16Å; L1318-S1320 PolarHBondContact O-N 2.9Å; S1320-L1324 VanDerWaalsContact O-CB 3.24Å; S1320-L1324 WeakPolarHBondContact O-CB 3.45Å; S1320-L1324 VanDerWaalsContact O-CG 3.31Å; S1320-L1324 WeakPolarHBondContact O-CG 3.47Å; S1320-L1324 PolarHBondContact O-N 2.92Å |
| 1321 | W | 93.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.1 | -51.3 | -179.9 | 171.3 | 66.6 | 0 | 0 | 0 | 112.6 | L1300 F1310 W1313 I1317 L1318 K1323 L1324 W1325 V1326 L1346 A1372 V1373 M1376 | L1300-W1321 HydrophobicContact CD2-CB 3.64Å; F1310-W1321 HydrophobicContact CE2-CD2 4.29Å; F1310-W1321 AromaticContact CE2-CE3 3.95Å; F1310-W1321 HydrophobicContact CE2-CE3 3.95Å; F1310-W1321 HydrophobicContact CE2-CH2 4.12Å; F1310-W1321 HydrophobicContact CE2-CZ2 4.44Å; F1310-W1321 AromaticContact CE2-CZ3 3.87Å; F1310-W1321 HydrophobicContact CE2-CZ3 3.87Å; F1310-W1321 HydrophobicContact CZ-CE3 4.26Å; F1310-W1321 HydrophobicContact CZ-CH2 4Å; F1310-W1321 AromaticContact CZ-CZ3 3.76Å; F1310-W1321 HydrophobicContact CZ-CZ3 3.76Å; W1313-W1321 HydrophobicContact CZ3-CB 3.99Å; W1313-W1321 AromaticContact CZ3-CG 3.93Å; W1313-W1321 HydrophobicContact CZ3-CG 3.93Å; I1317-W1321 WeakPolarHBondContact O-CB 3.5Å; I1317-W1321 PolarHBondContact O-N 3.45Å; L1318-W1321 HydrophobicContact CD2-CE3 4.46Å; L1318-W1321 PolarHBondContact O-N 2.95Å; L1318-W1321 VanDerWaalsContact O-N 3.14Å; W1321-K1323 PolarHBondContact O-N 2.77Å; W1321-L1324 PolarHBondContact O-N 3.38Å; W1321-W1325 AromaticContact CD1-CE3 3.97Å; W1321-W1325 PolarHBondContact O-N 2.87Å; W1321-V1326 HydrophobicContact CD2-CG2 3.75Å; W1321-V1326 HydrophobicContact CE3-CG2 4.08Å; W1321-V1326 HydrophobicContact CG-CG2 4.4Å; W1321-V1326 HydrophobicContact CH2-CG2 3.81Å; W1321-V1326 HydrophobicContact CZ2-CG2 3.45Å; W1321-V1326 VanDerWaalsContact CZ2-CG2 3.45Å; W1321-V1326 HydrophobicContact CZ3-CG2 4.1Å; W1321-V1326 PolarHBondContact O-N 3.42Å; W1321-V1326 VanDerWaalsContact O-N 3.1Å; W1321-L1346 HydrophobicContact CZ3-CD2 3.9Å; W1321-A1372 HydrophobicContact CH2-CB 4.08Å; W1321-A1372 HydrophobicContact CZ2-CB 3.89Å; W1321-A1372 WeakPolarHBondContact CZ2-O 3.25Å; W1321-V1373 HydrophobicContact CH2-CG2 3.83Å; W1321-V1373 HydrophobicContact CZ3-CG2 4.27Å; W1321-M1376 HydrophobicContact CZ2-CB 3.99Å; W1321-M1376 HydrophobicContact CZ2-CG 4.4Å; W1321-M1376 VanDerWaalsContact NE1-CE 3.31Å |
| 1322 | L | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -55.8 | -42.6 | 177.2 | -70.8 | 168.1 | 0 | 0 | 0 | 110.9 | L1318 V1326 G1327 M1328 V1333 C1336 L1369 | L1318-L1322 WeakPolarHBondContact O-CB 3.42Å; L1318-L1322 VanDerWaalsContact O-CG 3.26Å; L1318-L1322 WeakPolarHBondContact O-CG 3.47Å; L1318-L1322 PolarHBondContact O-N 3.46Å; L1322-V1326 HydrophobicContact CD2-CG2 4.33Å; L1322-G1327 PolarHBondContact O-N 3.34Å; L1322-M1328 HydrophobicContact CB-CB 4.37Å; L1322-M1328 HydrophobicContact CB-CG 4.38Å; L1322-M1328 HydrophobicContact CD2-CG 4.08Å; L1322-M1328 PolarHBondContact O-N 2.92Å; L1322-V1333 HydrophobicContact CB-CG2 4.15Å; L1322-C1336 HydrophobicContact CD1-CB 3.56Å; L1322-L1369 HydrophobicContact CD2-CD1 3.68Å |
| 1323 | K | 90.4 | Very high | 91.7 | Very high | 60 Ų | 60 | 31.6 Ų | 31.6 | 26% | 0.261 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -74.1 | -43.8 | -179.8 | -177.2 | -173.3 | 166.6 | -164.9 | 0 | 113.5 | V1319 W1321 V1333 | V1319-K1323 WeakPolarHBondContact O-CB 3.39Å; V1319-K1323 PolarHBondContact O-N 3.15Å; W1321-K1323 PolarHBondContact O-N 2.77Å; K1323-V1333 HydrophobicContact CB-CG2 4.28Å |
| 1324 | L | 86.6 | Confident | 91.5 | Very high | 58 Ų | 58 | 34 Ų | 34 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -94.6 | -35.5 | -169.7 | -63.3 | 179.4 | 0 | 0 | 0 | 114.3 | Q1296 K1297 L1300 S1320 W1321 | Q1296-L1324 HydrophobicContact CB-CD1 3.77Å; K1297-L1324 HydrophobicContact CB-CD1 4.31Å; L1300-L1324 HydrophobicContact CD1-CB 4.18Å; L1300-L1324 HydrophobicContact CD1-CD1 4.05Å; S1320-L1324 VanDerWaalsContact O-CB 3.24Å; S1320-L1324 WeakPolarHBondContact O-CB 3.45Å; S1320-L1324 VanDerWaalsContact O-CG 3.31Å; S1320-L1324 WeakPolarHBondContact O-CG 3.47Å; S1320-L1324 PolarHBondContact O-N 2.92Å; W1321-L1324 PolarHBondContact O-N 3.38Å |
| 1325 | W | 89.4 | Confident | 91.4 | Very high | 39 Ų | 39 | 32.5 Ų | 32.5 | 15% | 0.148 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -110.8 | -37.4 | -172.2 | -69.7 | 14.3 | 0 | 0 | 0 | 112.5 | L1300 I1304 W1321 M1376 I1410 K1411 G1412 | L1300-W1325 HydrophobicContact CD1-CD2 4.36Å; L1300-W1325 HydrophobicContact CD1-CG 4.27Å; I1304-W1325 HydrophobicContact CD1-CH2 3.24Å; I1304-W1325 HydrophobicContact CD1-CZ2 4.18Å; I1304-W1325 HydrophobicContact CD1-CZ3 3.64Å; W1321-W1325 AromaticContact CD1-CE3 3.97Å; W1321-W1325 PolarHBondContact O-N 2.87Å; W1325-M1376 HydrophobicContact CE3-CE 3.74Å; W1325-M1376 HydrophobicContact CZ3-CE 3.82Å; W1325-I1410 HydrophobicContact CE3-CG2 4.23Å; W1325-I1410 VanDerWaalsContact CE3-O 3.26Å; W1325-I1410 HydrophobicContact CZ3-CG2 3.82Å; W1325-K1411 HydrophobicContact CH2-CG 4.42Å; W1325-G1412 VanDerWaalsContact O-CA 3.23Å; W1325-G1412 WeakPolarHBondContact O-CA 3.31Å |
| 1326 | V | 90.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -80.6 | -29.4 | 173.4 | -167.8 | 0 | 0 | 0 | 0 | 111.2 | W1321 L1322 M1328 K1368 A1372 | W1321-V1326 HydrophobicContact CD2-CG2 3.75Å; W1321-V1326 HydrophobicContact CE3-CG2 4.08Å; W1321-V1326 HydrophobicContact CG-CG2 4.4Å; W1321-V1326 HydrophobicContact CH2-CG2 3.81Å; W1321-V1326 HydrophobicContact CZ2-CG2 3.45Å; W1321-V1326 VanDerWaalsContact CZ2-CG2 3.45Å; W1321-V1326 HydrophobicContact CZ3-CG2 4.1Å; W1321-V1326 PolarHBondContact O-N 3.42Å; W1321-V1326 VanDerWaalsContact O-N 3.1Å; L1322-V1326 HydrophobicContact CD2-CG2 4.33Å; V1326-M1328 HydrophobicContact CB-CG 4.04Å; V1326-M1328 HydrophobicContact CG1-CG 3.72Å; V1326-M1328 HydrophobicContact CG1-SD 4.06Å; V1326-K1368 HydrophobicContact CG1-CG 4.39Å; V1326-K1368 WeakPolarHBondContact O-CE 3.42Å; V1326-K1368 PolarHBondContact O-NZ 3.36Å; V1326-A1372 HydrophobicContact CG1-CB 3.92Å; V1326-A1372 HydrophobicContact CG2-CB 3.97Å |
| 1327 | G | 89.7 | Confident | 91.3 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | trans | 69.6 | 39.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1322 H1416 | L1322-G1327 PolarHBondContact O-N 3.34Å; G1327-H1416 PolarHBondContact O-CE1 3.23Å | ||
| 1328 | M | 91.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | trans | -74.3 | 133.5 | 176.3 | -67.1 | -64.7 | -92.2 | 0 | 0 | 110.7 | L1322 V1326 Y1332 V1333 I1360 K1368 L1369 | L1322-M1328 HydrophobicContact CB-CB 4.37Å; L1322-M1328 HydrophobicContact CB-CG 4.38Å; L1322-M1328 HydrophobicContact CD2-CG 4.08Å; L1322-M1328 PolarHBondContact O-N 2.92Å; V1326-M1328 HydrophobicContact CB-CG 4.04Å; V1326-M1328 HydrophobicContact CG1-CG 3.72Å; V1326-M1328 HydrophobicContact CG1-SD 4.06Å; M1328-Y1332 HydrophobicContact CE-CD2 3.81Å; M1328-Y1332 HydrophobicContact CE-CG 4.14Å; M1328-V1333 HydrophobicContact CB-CG2 3.93Å; M1328-V1333 WeakPolarHBondContact O-CG2 3.43Å; M1328-I1360 HydrophobicContact CE-CD1 4.17Å; M1328-K1368 HydrophobicContact SD-CD 3.9Å; M1328-L1369 HydrophobicContact CE-CB 4.43Å | ||
| 1329 | P | 91.7 | Very high | 90.9 | Very high | 34 Ų | 34 | 39.2 Ų | 39.2 | 22% | 0.221 | 23% | 0.225 | C | C | . | . | trans | -52.8 | 145.9 | 171.9 | -30.1 | 35.4 | 0 | 0 | 0 | 113.5 | W1331 Y1332 V1333 L1440 | P1329-W1331 HydrophobicContact CB-CD2 4.43Å; P1329-W1331 HydrophobicContact CB-CG 4.38Å; P1329-W1331 HydrophobicContact CB-CZ2 4.34Å; P1329-W1331 VanDerWaalsContact CB-NE1 3.26Å; P1329-W1331 PolarHBondContact O-N 3.44Å; P1329-Y1332 PolarHBondContact O-N 3.46Å; P1329-V1333 PolarHBondContact O-N 3.32Å; P1329-L1440 HydrophobicContact CG-CD1 3.83Å; P1329-L1440 HydrophobicContact CG-CD2 3.82Å; P1329-L1440 HydrophobicContact CG-CG 4.47Å | ||
| 1330 | A | 90.7 | Very high | 90.8 | Very high | 82 Ų | 82 | 38.9 Ų | 38.9 | 68% | 0.678 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -55.3 | -27.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1333 A1334 | A1330-V1333 PolarHBondContact O-N 2.88Å; A1330-A1334 WeakPolarHBondContact O-CB 3.42Å; A1330-A1334 PolarHBondContact O-N 2.82Å |
| 1331 | W | 88.7 | Confident | 90.8 | Very high | 158 Ų | 158 | 46.4 Ų | 46.4 | 60% | 0.598 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -76.3 | -32.3 | 177.2 | 50.9 | -87.1 | 0 | 0 | 0 | 113.4 | P1329 A1335 | P1329-W1331 HydrophobicContact CB-CD2 4.43Å; P1329-W1331 HydrophobicContact CB-CG 4.38Å; P1329-W1331 HydrophobicContact CB-CZ2 4.34Å; P1329-W1331 VanDerWaalsContact CB-NE1 3.26Å; P1329-W1331 PolarHBondContact O-N 3.44Å; W1331-A1335 PolarHBondContact O-N 3.3Å; W1331-A1335 VanDerWaalsContact O-N 3.13Å |
| 1332 | Y | 93.5 | Very high | 90.7 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.6 | -37.7 | 166.6 | -75.1 | -39.8 | 0 | 0 | 0 | 111.7 | M1328 P1329 A1334 A1335 C1336 I1360 H1365 L1440 | M1328-Y1332 HydrophobicContact CE-CD2 3.81Å; M1328-Y1332 HydrophobicContact CE-CG 4.14Å; P1329-Y1332 PolarHBondContact O-N 3.46Å; Y1332-A1334 VanDerWaalsContact C-N 3.31Å; Y1332-A1334 PolarHBondContact O-N 2.86Å; Y1332-A1335 PolarHBondContact O-N 3.3Å; Y1332-C1336 PolarHBondContact O-N 3.1Å; Y1332-C1336 PolarHBondContact O-SG 2.99Å; Y1332-I1360 HydrophobicContact CD1-CD1 3.96Å; Y1332-I1360 HydrophobicContact CD1-CG1 3.83Å; Y1332-I1360 HydrophobicContact CE1-CB 4.05Å; Y1332-I1360 HydrophobicContact CE1-CD1 4.05Å; Y1332-I1360 HydrophobicContact CE1-CG1 3.56Å; Y1332-I1360 HydrophobicContact CE1-CG2 4.06Å; Y1332-I1360 HydrophobicContact CE2-CG2 4.49Å; Y1332-I1360 HydrophobicContact CG-CD1 4.36Å; Y1332-H1365 HydrophobicContact CE2-CB 4.07Å; Y1332-H1365 AromaticContact CE2-CG 3.96Å; Y1332-H1365 AromaticContact CE2-ND1 3.38Å; Y1332-H1365 WeakPolarHBondContact CE2-ND1 3.36Å; Y1332-H1365 AromaticContact CZ-ND1 3.56Å; Y1332-H1365 PolarHBondContact OH-ND1 3.36Å; Y1332-L1440 HydrophobicContact CD2-CD1 4.45Å; Y1332-L1440 HydrophobicContact CE2-CD1 4.21Å |
| 1333 | V | 92.7 | Very high | 90.6 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -44 | 175.1 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | V1319 L1322 K1323 M1328 P1329 A1330 C1336 E1337 | V1319-V1333 HydrophobicContact CB-CG1 4.31Å; V1319-V1333 HydrophobicContact CG1-CG1 3.79Å; V1319-V1333 HydrophobicContact CG2-CG1 4.31Å; L1322-V1333 HydrophobicContact CB-CG2 4.15Å; K1323-V1333 HydrophobicContact CB-CG2 4.28Å; M1328-V1333 HydrophobicContact CB-CG2 3.93Å; M1328-V1333 WeakPolarHBondContact O-CG2 3.43Å; P1329-V1333 PolarHBondContact O-N 3.32Å; A1330-V1333 PolarHBondContact O-N 2.88Å; V1333-C1336 PolarHBondContact O-N 2.91Å; V1333-E1337 WeakPolarHBondContact O-CB 3.36Å; V1333-E1337 PolarHBondContact O-N 3.4Å |
| 1334 | A | 91.4 | Very high | 90.7 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 41% | 0.405 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.5 | -36.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1330 Y1332 E1337 A1338 | A1330-A1334 WeakPolarHBondContact O-CB 3.42Å; A1330-A1334 PolarHBondContact O-N 2.82Å; Y1332-A1334 VanDerWaalsContact C-N 3.31Å; Y1332-A1334 PolarHBondContact O-N 2.86Å; A1334-E1337 PolarHBondContact O-N 2.86Å; A1334-A1338 WeakPolarHBondContact O-CB 3.3Å; A1334-A1338 PolarHBondContact O-N 2.9Å |
| 1335 | A | 90.8 | Very high | 90.9 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1331 Y1332 N1339 | W1331-A1335 PolarHBondContact O-N 3.3Å; W1331-A1335 VanDerWaalsContact O-N 3.13Å; Y1332-A1335 PolarHBondContact O-N 3.3Å; A1335-N1339 WeakPolarHBondContact O-CB 3.44Å; A1335-N1339 PolarHBondContact O-N 3.42Å; A1335-N1339 VanDerWaalsContact O-N 3.15Å |
| 1336 | C | 90.2 | Very high | 91 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 173.1 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | L1322 Y1332 V1333 A1338 N1339 I1340 L1358 | L1322-C1336 HydrophobicContact CD1-CB 3.56Å; Y1332-C1336 PolarHBondContact O-N 3.1Å; Y1332-C1336 PolarHBondContact O-SG 2.99Å; V1333-C1336 PolarHBondContact O-N 2.91Å; C1336-A1338 VanDerWaalsContact C-N 3.3Å; C1336-A1338 PolarHBondContact O-N 3.39Å; C1336-N1339 PolarHBondContact O-N 2.89Å; C1336-I1340 HydrophobicContact CB-CD1 4.45Å; C1336-I1340 WeakPolarHBondContact O-CA 3.36Å; C1336-I1340 VanDerWaalsContact O-CB 3.3Å; C1336-I1340 WeakPolarHBondContact O-CB 3.4Å; C1336-I1340 PolarHBondContact O-N 3.02Å; C1336-L1358 HydrophobicContact CB-CD2 4.36Å |
| 1337 | E | 91.9 | Very high | 91.1 | Very high | 115 Ų | 115 | 48.2 Ų | 48.2 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.3 | -35.6 | 178 | -171 | 166.1 | -161.7 | 0 | 0 | 112.6 | V1319 V1333 A1334 | V1319-E1337 HydrophobicContact CG2-CB 3.68Å; V1319-E1337 HydrophobicContact CG2-CG 3.82Å; V1333-E1337 WeakPolarHBondContact O-CB 3.36Å; V1333-E1337 PolarHBondContact O-N 3.4Å; A1334-E1337 PolarHBondContact O-N 2.86Å |
| 1338 | A | 90.4 | Very high | 91.1 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -73.7 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1334 C1336 | A1334-A1338 WeakPolarHBondContact O-CB 3.3Å; A1334-A1338 PolarHBondContact O-N 2.9Å; C1336-A1338 VanDerWaalsContact C-N 3.3Å; C1336-A1338 PolarHBondContact O-N 3.39Å |
| 1339 | N | 89.1 | Confident | 91 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -104.3 | -23.4 | -165.5 | -62 | -14.9 | 0 | 0 | 0 | 113.8 | A1335 C1336 E1357 L1358 | A1335-N1339 WeakPolarHBondContact O-CB 3.44Å; A1335-N1339 PolarHBondContact O-N 3.42Å; A1335-N1339 VanDerWaalsContact O-N 3.15Å; C1336-N1339 PolarHBondContact O-N 2.89Å; N1339-E1357 PolarHBondContact ND2-O 2.96Å; N1339-L1358 HydrophobicContact CB-CD2 4.45Å |
| 1340 | I | 90.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | trans | -113.9 | 121.7 | -173.8 | -58.7 | -176.4 | 0 | 0 | 0 | 110.9 | S1315 L1318 C1336 S1342 M1345 L1346 L1349 L1358 | S1315-I1340 WeakPolarHBondContact CB-O 3.21Å; S1315-I1340 PolarHBondContact OG-O 2.94Å; L1318-I1340 HydrophobicContact CD1-CG2 3.7Å; C1336-I1340 HydrophobicContact CB-CD1 4.45Å; C1336-I1340 WeakPolarHBondContact O-CA 3.36Å; C1336-I1340 VanDerWaalsContact O-CB 3.3Å; C1336-I1340 WeakPolarHBondContact O-CB 3.4Å; C1336-I1340 PolarHBondContact O-N 3.02Å; I1340-S1342 WeakPolarHBondContact CG2-O 3.46Å; I1340-M1345 HydrophobicContact CG2-CB 4.18Å; I1340-L1346 HydrophobicContact CD1-CB 4.02Å; I1340-L1346 HydrophobicContact CD1-CD1 3.66Å; I1340-L1346 HydrophobicContact CD1-CG 4.26Å; I1340-L1346 HydrophobicContact CG2-CB 3.94Å; I1340-L1349 HydrophobicContact CD1-CD1 3.87Å; I1340-L1358 HydrophobicContact CD1-CD1 4.03Å; I1340-L1358 HydrophobicContact CD1-CD2 3.91Å; I1340-L1358 HydrophobicContact CD1-CG 4.37Å; I1340-L1358 HydrophobicContact CG1-CD2 4.19Å | ||
| 1341 | K | 90.9 | Very high | 90.5 | Very high | 159 Ų | 159 | 51.8 Ų | 51.8 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | trans | -102.7 | -25.5 | -177.1 | -60.4 | -167.6 | 177.5 | -175.3 | 0 | 114.4 | S1315 M1345 | S1315-K1341 PolarHBondContact N-O 3.25Å; S1315-K1341 VanDerWaalsContact N-O 3.13Å; K1341-M1345 HydrophobicContact CB-SD 3.99Å | ||
| 1342 | S | 91.9 | Very high | 90.5 | Very high | 38 Ų | 38 | 47.1 Ų | 47.1 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -141.9 | 159.1 | 178.6 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | W1313 I1340 A1344 M1345 L1346 | W1313-S1342 CarbonylContact O-C 3.53Å; W1313-S1342 VanDerWaalsContact O-CA 3.32Å; W1313-S1342 WeakPolarHBondContact O-CA 3.35Å; I1340-S1342 WeakPolarHBondContact CG2-O 3.46Å; S1342-A1344 PolarHBondContact O-N 3.45Å; S1342-M1345 WeakPolarHBondContact O-CB 3.48Å; S1342-M1345 PolarHBondContact O-N 3.05Å; S1342-M1345 VanDerWaalsContact O-N 3.16Å; S1342-M1345 PolarHBondContact OG-N 3.34Å; S1342-L1346 PolarHBondContact O-N 3.45Å |
| 1343 | G | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -27.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1310 W1313 L1346 A1347 | F1310-G1343 WeakPolarHBondContact O-CA 3.45Å; W1313-G1343 PolarHBondContact O-N 3.08Å; G1343-L1346 PolarHBondContact O-N 2.76Å; G1343-A1347 VanDerWaalsContact O-CB 3.3Å; G1343-A1347 WeakPolarHBondContact O-CB 3.41Å; G1343-A1347 PolarHBondContact O-N 2.83Å |
| 1344 | A | 91 | Very high | 90.1 | Very high | 44 Ų | 44 | 48 Ų | 48 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1311 S1342 L1346 A1347 S1348 | T1311-A1344 WeakPolarHBondContact O-CB 3.39Å; T1311-A1344 PolarHBondContact O-N 3Å; S1342-A1344 PolarHBondContact O-N 3.45Å; A1344-L1346 PolarHBondContact O-N 2.9Å; A1344-A1347 PolarHBondContact O-N 3.32Å; A1344-S1348 PolarHBondContact O-N 3.47Å; A1344-S1348 VanDerWaalsContact O-N 3.09Å; A1344-S1348 PolarHBondContact O-OG 2.87Å; A1344-S1348 VanDerWaalsContact O-OG 3.08Å |
| 1345 | M | 91.3 | Very high | 90 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 36% | 0.36 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.4 | -67.9 | 178.5 | 71.6 | 0 | 0 | 111.5 | I1340 K1341 S1342 A1347 S1348 L1349 | I1340-M1345 HydrophobicContact CG2-CB 4.18Å; K1341-M1345 HydrophobicContact CB-SD 3.99Å; S1342-M1345 WeakPolarHBondContact O-CB 3.48Å; S1342-M1345 PolarHBondContact O-N 3.05Å; S1342-M1345 VanDerWaalsContact O-N 3.16Å; S1342-M1345 PolarHBondContact OG-N 3.34Å; M1345-A1347 VanDerWaalsContact C-N 3.32Å; M1345-A1347 PolarHBondContact O-N 2.96Å; M1345-S1348 PolarHBondContact O-N 3.34Å; M1345-S1348 PolarHBondContact O-OG 3.36Å; M1345-L1349 WeakPolarHBondContact O-CG 3.19Å; M1345-L1349 PolarHBondContact O-N 3.26Å |
| 1346 | L | 92.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67 | -32.6 | 179.2 | -178.8 | 50.9 | 0 | 0 | 0 | 112.8 | F1310 L1318 W1321 I1340 S1342 G1343 A1344 S1348 L1349 L1369 V1373 | F1310-L1346 HydrophobicContact CZ-CD2 4.13Å; F1310-L1346 HydrophobicContact CZ-CG 4.49Å; L1318-L1346 HydrophobicContact CD1-CD2 4.45Å; L1318-L1346 HydrophobicContact CD2-CD2 4.34Å; W1321-L1346 HydrophobicContact CZ3-CD2 3.9Å; I1340-L1346 HydrophobicContact CD1-CB 4.02Å; I1340-L1346 HydrophobicContact CD1-CD1 3.66Å; I1340-L1346 HydrophobicContact CD1-CG 4.26Å; I1340-L1346 HydrophobicContact CG2-CB 3.94Å; S1342-L1346 PolarHBondContact O-N 3.45Å; G1343-L1346 PolarHBondContact O-N 2.76Å; A1344-L1346 PolarHBondContact O-N 2.9Å; L1346-S1348 VanDerWaalsContact C-N 3.33Å; L1346-L1349 HydrophobicContact CD1-CD1 4.37Å; L1346-L1369 HydrophobicContact CD1-CD1 4.25Å; L1346-L1369 HydrophobicContact CD1-CD2 4.13Å; L1346-L1369 HydrophobicContact CD1-CG 4.34Å; L1346-V1373 HydrophobicContact CD1-CG2 4.2Å; L1346-V1373 HydrophobicContact CD2-CG2 4.2Å; L1346-V1373 HydrophobicContact CG-CG2 3.84Å |
| 1347 | A | 91.4 | Very high | 89.2 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 31% | 0.306 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.2 | -24.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1310 G1343 A1344 M1345 V1373 L1377 | F1310-A1347 HydrophobicContact CE1-CB 4.48Å; G1343-A1347 VanDerWaalsContact O-CB 3.3Å; G1343-A1347 WeakPolarHBondContact O-CB 3.41Å; G1343-A1347 PolarHBondContact O-N 2.83Å; A1344-A1347 PolarHBondContact O-N 3.32Å; M1345-A1347 VanDerWaalsContact C-N 3.32Å; M1345-A1347 PolarHBondContact O-N 2.96Å; A1347-V1373 HydrophobicContact CB-CG1 4.42Å; A1347-L1377 HydrophobicContact CB-CD1 4.1Å; A1347-L1377 HydrophobicContact CB-CD2 4.3Å |
| 1348 | S | 90.7 | Very high | 88.9 | Confident | 92 Ų | 92 | 55 Ų | 55 | 64% | 0.643 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -95 | -6.6 | -179.1 | 57.3 | 0 | 0 | 0 | 0 | 115.4 | A1344 M1345 L1346 S1350 | A1344-S1348 PolarHBondContact O-N 3.47Å; A1344-S1348 VanDerWaalsContact O-N 3.09Å; A1344-S1348 PolarHBondContact O-OG 2.87Å; A1344-S1348 VanDerWaalsContact O-OG 3.08Å; M1345-S1348 PolarHBondContact O-N 3.34Å; M1345-S1348 PolarHBondContact O-OG 3.36Å; L1346-S1348 VanDerWaalsContact C-N 3.33Å; S1348-S1350 PolarHBondContact O-N 2.83Å |
| 1349 | L | 89.2 | Confident | 88.7 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | trans | -66.6 | 126.6 | -179.5 | -62.5 | -171 | 0 | 0 | 0 | 111.6 | I1340 M1345 L1346 D1353 I1354 E1357 L1358 | I1340-L1349 HydrophobicContact CD1-CD1 3.87Å; M1345-L1349 WeakPolarHBondContact O-CG 3.19Å; M1345-L1349 PolarHBondContact O-N 3.26Å; L1346-L1349 HydrophobicContact CD1-CD1 4.37Å; L1349-D1353 HydrophobicContact CB-CB 4.18Å; L1349-D1353 HydrophobicContact CD2-CB 4.05Å; L1349-I1354 HydrophobicContact CB-CD1 4.39Å; L1349-I1354 HydrophobicContact CB-CG1 3.77Å; L1349-I1354 HydrophobicContact CD1-CG1 4.08Å; L1349-E1357 WeakPolarHBondContact CD2-OE2 3.32Å; L1349-L1358 HydrophobicContact CD1-CD1 3.87Å; L1349-L1358 HydrophobicContact CD1-CG 4.18Å | ||
| 1350 | S | 87.8 | Confident | 88.8 | Confident | 38 Ų | 38 | 50.1 Ų | 50.1 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | trans | -68.6 | 170 | 168.3 | 73.1 | 0 | 0 | 0 | 0 | 111.4 | S1348 Q1352 D1353 I1354 | S1348-S1350 PolarHBondContact O-N 2.83Å; S1350-Q1352 PolarHBondContact O-N 3.1Å; S1350-Q1352 WeakPolarHBondContact OG-CB 3.42Å; S1350-Q1352 PolarHBondContact OG-N 3.23Å; S1350-D1353 VanDerWaalsContact CB-OD2 3.3Å; S1350-D1353 WeakPolarHBondContact CB-OD2 3.18Å; S1350-D1353 PolarHBondContact N-OD2 2.7Å; S1350-D1353 VanDerWaalsContact N-OD2 3.13Å; S1350-D1353 PolarHBondContact O-N 3.4Å; S1350-D1353 VanDerWaalsContact O-N 3.14Å; S1350-D1353 PolarHBondContact OG-N 2.77Å; S1350-D1353 VanDerWaalsContact OG-N 3.08Å; S1350-D1353 PolarHBondContact OG-OD2 3.26Å; S1350-I1354 WeakPolarHBondContact O-CG1 3.45Å; S1350-I1354 PolarHBondContact O-N 3.49Å | ||
| 1351 | E | 84.1 | Confident | 88.8 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.4 | -34.6 | 172.5 | 179 | 151.3 | 162.5 | 0 | 0 | 111.9 | D1353 Q1355 R1366 R1370 | E1351-D1353 VanDerWaalsContact C-N 3.32Å; E1351-D1353 PolarHBondContact O-N 3.49Å; E1351-Q1355 WeakPolarHBondContact O-CB 3.23Å; E1351-Q1355 PolarHBondContact O-N 3.29Å; E1351-R1366 VanDerWaalsContact CD-NE 3.34Å; E1351-R1366 VanDerWaalsContact CG-NE 3.29Å; E1351-R1366 IonicContact OE1-CZ 2.87Å; E1351-R1366 IonicContact OE1-NE 3.68Å; E1351-R1366 PolarHBondContact OE1-NE 3.26Å; E1351-R1366 IonicContact OE1-NH2 3.87Å; E1351-R1366 PolarHBondContact OE1-NH2 3.41Å; E1351-R1370 IonicContact OE2-CZ 3.07Å; E1351-R1370 IonicContact OE2-NE 2.66Å; E1351-R1370 PolarHBondContact OE2-NE 3Å; E1351-R1370 IonicContact OE2-NH2 2.66Å; E1351-R1370 PolarHBondContact OE2-NH2 2.86Å |
| 1352 | Q | 87.5 | Confident | 88.9 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 173.5 | -64.9 | 84.7 | -41.5 | 0 | 0 | 110.9 | S1350 Q1355 R1356 | S1350-Q1352 PolarHBondContact O-N 3.1Å; S1350-Q1352 WeakPolarHBondContact OG-CB 3.42Å; S1350-Q1352 PolarHBondContact OG-N 3.23Å; Q1352-Q1355 CarbonylContact O-C 3.56Å; Q1352-Q1355 PolarHBondContact O-N 2.76Å; Q1352-R1356 WeakPolarHBondContact O-CB 3.24Å; Q1352-R1356 VanDerWaalsContact O-CG 3.26Å; Q1352-R1356 WeakPolarHBondContact O-CG 3.24Å; Q1352-R1356 PolarHBondContact O-N 3.17Å |
| 1353 | D | 89.9 | Confident | 88.9 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -77.1 | -37.4 | -179 | -52.9 | -41.6 | 0 | 0 | 0 | 112.2 | L1349 S1350 E1351 Q1355 R1356 E1357 | L1349-D1353 HydrophobicContact CB-CB 4.18Å; L1349-D1353 HydrophobicContact CD2-CB 4.05Å; S1350-D1353 VanDerWaalsContact CB-OD2 3.3Å; S1350-D1353 WeakPolarHBondContact CB-OD2 3.18Å; S1350-D1353 PolarHBondContact N-OD2 2.7Å; S1350-D1353 VanDerWaalsContact N-OD2 3.13Å; S1350-D1353 PolarHBondContact O-N 3.4Å; S1350-D1353 VanDerWaalsContact O-N 3.14Å; S1350-D1353 PolarHBondContact OG-N 2.77Å; S1350-D1353 VanDerWaalsContact OG-N 3.08Å; S1350-D1353 PolarHBondContact OG-OD2 3.26Å; E1351-D1353 VanDerWaalsContact C-N 3.32Å; E1351-D1353 PolarHBondContact O-N 3.49Å; D1353-Q1355 PolarHBondContact O-N 3.4Å; D1353-R1356 PolarHBondContact O-N 2.89Å; D1353-R1356 IonicContact OD1-CZ 2.84Å; D1353-R1356 IonicContact OD1-NE 2.79Å; D1353-R1356 PolarHBondContact OD1-NE 3.42Å; D1353-R1356 IonicContact OD1-NH2 3.26Å; D1353-R1356 PolarHBondContact OD1-NH2 2.93Å; D1353-E1357 HydrophobicContact CB-CG 4.35Å; D1353-E1357 WeakPolarHBondContact O-CB 3.47Å; D1353-E1357 PolarHBondContact O-N 3.22Å |
| 1354 | I | 88.7 | Confident | 89.1 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -32.5 | 168.9 | -63.2 | 170.6 | 0 | 0 | 0 | 110.4 | L1349 S1350 L1358 I1360 R1366 L1369 R1370 | L1349-I1354 HydrophobicContact CB-CD1 4.39Å; L1349-I1354 HydrophobicContact CB-CG1 3.77Å; L1349-I1354 HydrophobicContact CD1-CG1 4.08Å; S1350-I1354 WeakPolarHBondContact O-CG1 3.45Å; S1350-I1354 PolarHBondContact O-N 3.49Å; I1354-L1358 HydrophobicContact CG2-CD1 4.46Å; I1354-L1358 WeakPolarHBondContact O-CB 3.48Å; I1354-I1360 HydrophobicContact CG2-CB 3.96Å; I1354-I1360 HydrophobicContact CG2-CD1 3.89Å; I1354-I1360 HydrophobicContact CG2-CG1 4.05Å; I1354-I1360 WeakPolarHBondContact O-CB 3.46Å; I1354-I1360 PolarHBondContact O-N 2.89Å; I1354-I1360 VanDerWaalsContact O-N 3.1Å; I1354-R1366 HydrophobicContact CG2-CB 4.12Å; I1354-R1366 HydrophobicContact CG2-CG 3.7Å; I1354-L1369 HydrophobicContact CD1-CD2 4.45Å; I1354-L1369 HydrophobicContact CG2-CD2 4.09Å; I1354-R1370 HydrophobicContact CD1-CG 3.76Å |
| 1355 | Q | 88.5 | Confident | 89.3 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -78.4 | -41.4 | 173.3 | -173.4 | 169.5 | -67.5 | 0 | 0 | 113.6 | E1351 Q1352 D1353 G1359 R1366 | E1351-Q1355 WeakPolarHBondContact O-CB 3.23Å; E1351-Q1355 PolarHBondContact O-N 3.29Å; Q1352-Q1355 CarbonylContact O-C 3.56Å; Q1352-Q1355 PolarHBondContact O-N 2.76Å; D1353-Q1355 PolarHBondContact O-N 3.4Å; Q1355-G1359 VanDerWaalsContact O-CA 3.31Å; Q1355-G1359 WeakPolarHBondContact O-CA 3.43Å; Q1355-G1359 PolarHBondContact O-N 3.16Å; Q1355-R1366 VanDerWaalsContact OE1-CZ 3.29Å |
| 1356 | R | 86.1 | Confident | 89.5 | Confident | 150 Ų | 150 | 48.7 Ų | 48.7 | 57% | 0.566 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -77.9 | -58.9 | -176.7 | -73.4 | -173.8 | -67.8 | -153.3 | -1.6 | 112.5 | Q1352 D1353 | Q1352-R1356 WeakPolarHBondContact O-CB 3.24Å; Q1352-R1356 VanDerWaalsContact O-CG 3.26Å; Q1352-R1356 WeakPolarHBondContact O-CG 3.24Å; Q1352-R1356 PolarHBondContact O-N 3.17Å; D1353-R1356 PolarHBondContact O-N 2.89Å; D1353-R1356 IonicContact OD1-CZ 2.84Å; D1353-R1356 IonicContact OD1-NE 2.79Å; D1353-R1356 PolarHBondContact OD1-NE 3.42Å; D1353-R1356 IonicContact OD1-NH2 3.26Å; D1353-R1356 PolarHBondContact OD1-NH2 2.93Å |
| 1357 | E | 79.8 | Confident | 89.6 | Confident | 90 Ų | 90 | 49.6 Ų | 49.6 | 42% | 0.421 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -47.1 | -171.6 | -54.7 | -164.8 | 146.1 | 0 | 0 | 112.1 | N1339 L1349 D1353 | N1339-E1357 PolarHBondContact ND2-O 2.96Å; L1349-E1357 WeakPolarHBondContact CD2-OE2 3.32Å; D1353-E1357 HydrophobicContact CB-CG 4.35Å; D1353-E1357 WeakPolarHBondContact O-CB 3.47Å; D1353-E1357 PolarHBondContact O-N 3.22Å |
| 1358 | L | 85 | Confident | 89.7 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -86.7 | -6.3 | 179.4 | -63.5 | -179.3 | 0 | 0 | 0 | 113.4 | C1336 N1339 I1340 L1349 I1354 I1360 L1369 | C1336-L1358 HydrophobicContact CB-CD2 4.36Å; N1339-L1358 HydrophobicContact CB-CD2 4.45Å; I1340-L1358 HydrophobicContact CD1-CD1 4.03Å; I1340-L1358 HydrophobicContact CD1-CD2 3.91Å; I1340-L1358 HydrophobicContact CD1-CG 4.37Å; I1340-L1358 HydrophobicContact CG1-CD2 4.19Å; L1349-L1358 HydrophobicContact CD1-CD1 3.87Å; L1349-L1358 HydrophobicContact CD1-CG 4.18Å; I1354-L1358 HydrophobicContact CG2-CD1 4.46Å; I1354-L1358 WeakPolarHBondContact O-CB 3.48Å; L1358-I1360 VanDerWaalsContact C-N 3.25Å; L1358-I1360 HydrophobicContact CB-CD1 4.03Å; L1358-I1360 HydrophobicContact CB-CG1 3.69Å; L1358-I1360 HydrophobicContact CD1-CD1 4.2Å; L1358-I1360 PolarHBondContact O-N 2.84Å; L1358-L1369 HydrophobicContact CD1-CD2 3.79Å |
| 1359 | G | 86.1 | Confident | 89.9 | Confident | 40 Ų | 40 | 43.5 Ų | 43.5 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | trans | 67.1 | 18.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q1355 R1361 | Q1355-G1359 VanDerWaalsContact O-CA 3.31Å; Q1355-G1359 WeakPolarHBondContact O-CA 3.43Å; Q1355-G1359 PolarHBondContact O-N 3.16Å; G1359-R1361 PolarHBondContact O-N 3.04Å | ||
| 1360 | I | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -81 | 85.5 | -171.7 | -48.2 | -162.4 | 0 | 0 | 0 | 110.8 | M1328 Y1332 I1354 L1358 H1365 R1366 L1369 | M1328-I1360 HydrophobicContact CE-CD1 4.17Å; Y1332-I1360 HydrophobicContact CD1-CD1 3.96Å; Y1332-I1360 HydrophobicContact CD1-CG1 3.83Å; Y1332-I1360 HydrophobicContact CE1-CB 4.05Å; Y1332-I1360 HydrophobicContact CE1-CD1 4.05Å; Y1332-I1360 HydrophobicContact CE1-CG1 3.56Å; Y1332-I1360 HydrophobicContact CE1-CG2 4.06Å; Y1332-I1360 HydrophobicContact CE2-CG2 4.49Å; Y1332-I1360 HydrophobicContact CG-CD1 4.36Å; I1354-I1360 HydrophobicContact CG2-CB 3.96Å; I1354-I1360 HydrophobicContact CG2-CD1 3.89Å; I1354-I1360 HydrophobicContact CG2-CG1 4.05Å; I1354-I1360 WeakPolarHBondContact O-CB 3.46Å; I1354-I1360 PolarHBondContact O-N 2.89Å; I1354-I1360 VanDerWaalsContact O-N 3.1Å; L1358-I1360 VanDerWaalsContact C-N 3.25Å; L1358-I1360 HydrophobicContact CB-CD1 4.03Å; L1358-I1360 HydrophobicContact CB-CG1 3.69Å; L1358-I1360 HydrophobicContact CD1-CD1 4.2Å; L1358-I1360 PolarHBondContact O-N 2.84Å; I1360-H1365 HydrophobicContact CG2-CB 3.4Å; I1360-H1365 VanDerWaalsContact CG2-CB 3.4Å; I1360-R1366 HydrophobicContact CB-CG 3.92Å; I1360-R1366 HydrophobicContact CG2-CG 3.61Å; I1360-R1366 VanDerWaalsContact O-CD 3.27Å; I1360-R1366 WeakPolarHBondContact O-CD 3.39Å; I1360-R1366 VanDerWaalsContact O-CG 3.29Å; I1360-R1366 WeakPolarHBondContact O-CG 3.37Å; I1360-R1366 PolarHBondContact O-NH1 3.24Å; I1360-L1369 HydrophobicContact CD1-CD2 3.97Å | ||
| 1361 | R | 91.2 | Very high | 90.3 | Very high | 178 Ų | 178 | 47.1 Ų | 47.1 | 67% | 0.672 | 22% | 0.219 | S | C | * | . | trans | -73.2 | -32 | -175.9 | -60.5 | -174.3 | -170.7 | 178.2 | 4.1 | 115.2 | G1359 R1366 | G1359-R1361 PolarHBondContact O-N 3.04Å; R1361-R1366 PolarHBondContact O-NH1 2.92Å | ||
| 1362 | N | 91.8 | Very high | 90.7 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -74.7 | 120.7 | 179 | -177.9 | -5.6 | 0 | 0 | 0 | 109.5 | L1364 H1365 R1366 | N1362-L1364 VanDerWaalsContact C-N 3.25Å; N1362-L1364 PolarHBondContact O-N 3.29Å; N1362-L1364 PolarHBondContact OD1-N 2.82Å; N1362-L1364 VanDerWaalsContact OD1-N 3.09Å; N1362-H1365 HydrophobicContact CB-CB 4.15Å; N1362-H1365 PolarHBondContact ND2-CD2 2.74Å; N1362-H1365 VanDerWaalsContact ND2-CD2 3.32Å; N1362-H1365 PolarHBondContact ND2-NE2 3.17Å; N1362-H1365 WeakPolarHBondContact O-CB 3.27Å; N1362-H1365 PolarHBondContact O-N 3.14Å; N1362-R1366 PolarHBondContact O-N 2.81Å |
| 1363 | P | 93.2 | Very high | 90.9 | Very high | 41 Ų | 41 | 42.1 Ų | 42.1 | 27% | 0.266 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58 | -36.2 | 179.5 | 23.5 | -34.4 | 0 | 0 | 0 | 112.7 | H1365 R1366 L1367 H1457 | P1363-H1365 VanDerWaalsContact C-N 3.28Å; P1363-H1365 PolarHBondContact O-N 2.89Å; P1363-R1366 WeakPolarHBondContact O-CB 3.47Å; P1363-R1366 PolarHBondContact O-N 3.26Å; P1363-R1366 VanDerWaalsContact O-N 3.11Å; P1363-L1367 WeakPolarHBondContact O-CB 3.42Å; P1363-L1367 PolarHBondContact O-N 3.13Å; P1363-H1457 WeakPolarHBondContact CG-NE2 3.35Å |
| 1364 | L | 94.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.2 | -29.8 | 177.7 | -68.5 | -179.1 | 0 | 0 | 0 | 112.6 | N1362 L1367 K1368 C1439 M1445 L1449 D1453 H1457 L1458 | N1362-L1364 VanDerWaalsContact C-N 3.25Å; N1362-L1364 PolarHBondContact O-N 3.29Å; N1362-L1364 PolarHBondContact OD1-N 2.82Å; N1362-L1364 VanDerWaalsContact OD1-N 3.09Å; L1364-L1367 HydrophobicContact CD2-CD2 4.07Å; L1364-K1368 WeakPolarHBondContact O-CB 3.31Å; L1364-K1368 PolarHBondContact O-N 3.19Å; L1364-C1439 HydrophobicContact CB-CB 4.15Å; L1364-C1439 HydrophobicContact CD1-CB 3.66Å; L1364-M1445 HydrophobicContact CB-CE 3.91Å; L1364-M1445 HydrophobicContact CD2-CE 4.24Å; L1364-M1445 WeakPolarHBondContact O-CE 3.22Å; L1364-L1449 HydrophobicContact CD2-CD2 3.82Å; L1364-D1453 HydrophobicContact CD2-CB 4.19Å; L1364-H1457 HydrophobicContact CD1-CB 3.67Å; L1364-H1457 HydrophobicContact CG-CB 4.49Å; L1364-L1458 HydrophobicContact CD1-CD1 4.38Å; L1364-L1458 HydrophobicContact CD1-CD2 4.05Å; L1364-L1458 HydrophobicContact CD1-CG 4.1Å |
| 1365 | H | 95.8 | Very high | 90.8 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 6% | 0.06 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.8 | -30.8 | 174 | -61.8 | 177.9 | 0 | 0 | 0 | 112 | Y1332 I1360 N1362 P1363 L1369 E1438 C1439 | Y1332-H1365 HydrophobicContact CE2-CB 4.07Å; Y1332-H1365 AromaticContact CE2-CG 3.96Å; Y1332-H1365 AromaticContact CE2-ND1 3.38Å; Y1332-H1365 WeakPolarHBondContact CE2-ND1 3.36Å; Y1332-H1365 AromaticContact CZ-ND1 3.56Å; Y1332-H1365 PolarHBondContact OH-ND1 3.36Å; I1360-H1365 HydrophobicContact CG2-CB 3.4Å; I1360-H1365 VanDerWaalsContact CG2-CB 3.4Å; N1362-H1365 HydrophobicContact CB-CB 4.15Å; N1362-H1365 PolarHBondContact ND2-CD2 2.74Å; N1362-H1365 VanDerWaalsContact ND2-CD2 3.32Å; N1362-H1365 PolarHBondContact ND2-NE2 3.17Å; N1362-H1365 WeakPolarHBondContact O-CB 3.27Å; N1362-H1365 PolarHBondContact O-N 3.14Å; P1363-H1365 VanDerWaalsContact C-N 3.28Å; P1363-H1365 PolarHBondContact O-N 2.89Å; H1365-L1369 PolarHBondContact O-N 2.86Å; H1365-E1438 PolarHBondContact CE1-O 3.16Å; H1365-E1438 PolarHBondContact NE2-O 3.48Å; H1365-C1439 PolarHBondContact CD2-O 3.32Å; H1365-C1439 WeakPolarHBondContact NE2-CA 3.38Å |
| 1366 | R | 94.5 | Very high | 90.7 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.8 | -45.8 | 171.6 | -58.9 | -161.8 | -66.3 | -89.4 | 6.2 | 111.1 | E1351 I1354 Q1355 I1360 R1361 N1362 P1363 K1368 L1369 R1370 | E1351-R1366 VanDerWaalsContact CD-NE 3.34Å; E1351-R1366 VanDerWaalsContact CG-NE 3.29Å; E1351-R1366 IonicContact OE1-CZ 2.87Å; E1351-R1366 IonicContact OE1-NE 3.68Å; E1351-R1366 PolarHBondContact OE1-NE 3.26Å; E1351-R1366 IonicContact OE1-NH2 3.87Å; E1351-R1366 PolarHBondContact OE1-NH2 3.41Å; I1354-R1366 HydrophobicContact CG2-CB 4.12Å; I1354-R1366 HydrophobicContact CG2-CG 3.7Å; Q1355-R1366 VanDerWaalsContact OE1-CZ 3.29Å; I1360-R1366 HydrophobicContact CB-CG 3.92Å; I1360-R1366 HydrophobicContact CG2-CG 3.61Å; I1360-R1366 VanDerWaalsContact O-CD 3.27Å; I1360-R1366 WeakPolarHBondContact O-CD 3.39Å; I1360-R1366 VanDerWaalsContact O-CG 3.29Å; I1360-R1366 WeakPolarHBondContact O-CG 3.37Å; I1360-R1366 PolarHBondContact O-NH1 3.24Å; R1361-R1366 PolarHBondContact O-NH1 2.92Å; N1362-R1366 PolarHBondContact O-N 2.81Å; P1363-R1366 WeakPolarHBondContact O-CB 3.47Å; P1363-R1366 PolarHBondContact O-N 3.26Å; P1363-R1366 VanDerWaalsContact O-N 3.11Å; R1366-K1368 VanDerWaalsContact C-N 3.32Å; R1366-K1368 PolarHBondContact O-N 3.01Å; R1366-L1369 PolarHBondContact O-N 2.9Å; R1366-L1369 VanDerWaalsContact O-N 3.13Å; R1366-R1370 WeakPolarHBondContact O-CG 3.32Å; R1366-R1370 PolarHBondContact O-N 2.99Å |
| 1367 | L | 94.6 | Very high | 90.8 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.4 | -46.7 | 175.3 | -179.5 | 63.1 | 0 | 0 | 0 | 111.4 | P1363 L1364 L1369 R1370 L1371 H1448 | P1363-L1367 WeakPolarHBondContact O-CB 3.42Å; P1363-L1367 PolarHBondContact O-N 3.13Å; L1364-L1367 HydrophobicContact CD2-CD2 4.07Å; L1367-L1369 VanDerWaalsContact C-N 3.33Å; L1367-L1369 PolarHBondContact O-N 3.28Å; L1367-R1370 PolarHBondContact O-N 2.9Å; L1367-L1371 HydrophobicContact CD1-CD1 3.9Å; L1367-L1371 HydrophobicContact CD1-CG 3.99Å; L1367-L1371 HydrophobicContact CG-CD1 3.91Å; L1367-L1371 HydrophobicContact CG-CG 4.37Å; L1367-L1371 WeakPolarHBondContact O-CB 3.43Å; L1367-L1371 WeakPolarHBondContact O-CG 3.36Å; L1367-L1371 PolarHBondContact O-N 2.91Å; L1367-H1448 HydrophobicContact CD1-CB 4.43Å; L1367-H1448 HydrophobicContact CD2-CB 4.21Å |
| 1368 | K | 94.6 | Very high | 91 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -51.1 | -50.5 | 173.8 | -172.1 | -179.3 | -175.8 | 64.6 | 0 | 112.6 | V1326 M1328 L1364 R1366 A1372 L1440 D1442 M1445 | V1326-K1368 HydrophobicContact CG1-CG 4.39Å; V1326-K1368 WeakPolarHBondContact O-CE 3.42Å; V1326-K1368 PolarHBondContact O-NZ 3.36Å; M1328-K1368 HydrophobicContact SD-CD 3.9Å; L1364-K1368 WeakPolarHBondContact O-CB 3.31Å; L1364-K1368 PolarHBondContact O-N 3.19Å; R1366-K1368 VanDerWaalsContact C-N 3.32Å; R1366-K1368 PolarHBondContact O-N 3.01Å; K1368-A1372 WeakPolarHBondContact O-CB 3.39Å; K1368-A1372 PolarHBondContact O-N 3.46Å; K1368-A1372 VanDerWaalsContact O-N 3.1Å; K1368-L1440 HydrophobicContact CD-CB 3.67Å; K1368-L1440 HydrophobicContact CD-CD1 4.4Å; K1368-L1440 WeakPolarHBondContact CD-O 3.46Å; K1368-L1440 WeakPolarHBondContact CE-O 3.46Å; K1368-L1440 PolarHBondContact NZ-O 2.85Å; K1368-D1442 IonicContact NZ-OD2 3.78Å; K1368-D1442 PolarHBondContact NZ-OD2 3.32Å; K1368-M1445 HydrophobicContact CB-CE 4.24Å; K1368-M1445 HydrophobicContact CB-CG 4.45Å; K1368-M1445 HydrophobicContact CB-SD 3.5Å; K1368-M1445 WeakPolarHBondContact CB-SD 3.48Å; K1368-M1445 HydrophobicContact CD-SD 4.29Å; K1368-M1445 HydrophobicContact CG-SD 3.74Å |
| 1369 | L | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -46 | -178.4 | -175.2 | 59.6 | 0 | 0 | 0 | 111.3 | L1322 M1328 L1346 I1354 L1358 I1360 H1365 R1366 L1367 L1371 A1372 V1373 | L1322-L1369 HydrophobicContact CD2-CD1 3.68Å; M1328-L1369 HydrophobicContact CE-CB 4.43Å; L1346-L1369 HydrophobicContact CD1-CD1 4.25Å; L1346-L1369 HydrophobicContact CD1-CD2 4.13Å; L1346-L1369 HydrophobicContact CD1-CG 4.34Å; I1354-L1369 HydrophobicContact CD1-CD2 4.45Å; I1354-L1369 HydrophobicContact CG2-CD2 4.09Å; L1358-L1369 HydrophobicContact CD1-CD2 3.79Å; I1360-L1369 HydrophobicContact CD1-CD2 3.97Å; H1365-L1369 PolarHBondContact O-N 2.86Å; R1366-L1369 PolarHBondContact O-N 2.9Å; R1366-L1369 VanDerWaalsContact O-N 3.13Å; L1367-L1369 VanDerWaalsContact C-N 3.33Å; L1367-L1369 PolarHBondContact O-N 3.28Å; L1369-L1371 PolarHBondContact O-N 2.83Å; L1369-A1372 PolarHBondContact O-N 2.85Å; L1369-V1373 HydrophobicContact CD1-CG2 4.24Å; L1369-V1373 WeakPolarHBondContact O-CB 3.27Å; L1369-V1373 VanDerWaalsContact O-CG2 3.3Å; L1369-V1373 WeakPolarHBondContact O-CG2 3.46Å; L1369-V1373 PolarHBondContact O-N 3.49Å |
| 1370 | R | 93.2 | Very high | 90.9 | Very high | 108 Ų | 108 | 36.8 Ų | 36.8 | 41% | 0.408 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 178.1 | -69.6 | -160.6 | -73.1 | 105.3 | -9.6 | 112 | E1351 I1354 R1366 L1367 V1373 H1374 | E1351-R1370 IonicContact OE2-CZ 3.07Å; E1351-R1370 IonicContact OE2-NE 2.66Å; E1351-R1370 PolarHBondContact OE2-NE 3Å; E1351-R1370 IonicContact OE2-NH2 2.66Å; E1351-R1370 PolarHBondContact OE2-NH2 2.86Å; I1354-R1370 HydrophobicContact CD1-CG 3.76Å; R1366-R1370 WeakPolarHBondContact O-CG 3.32Å; R1366-R1370 PolarHBondContact O-N 2.99Å; L1367-R1370 PolarHBondContact O-N 2.9Å; R1370-V1373 PolarHBondContact O-N 2.85Å; R1370-H1374 WeakPolarHBondContact O-CB 3.32Å; R1370-H1374 PolarHBondContact O-N 3.26Å |
| 1371 | L | 92.3 | Very high | 90.4 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | 177.9 | -68.5 | 174.9 | 0 | 0 | 0 | 112.1 | L1367 L1369 V1373 H1374 E1375 M1445 H1448 | L1367-L1371 HydrophobicContact CD1-CD1 3.9Å; L1367-L1371 HydrophobicContact CD1-CG 3.99Å; L1367-L1371 HydrophobicContact CG-CD1 3.91Å; L1367-L1371 HydrophobicContact CG-CG 4.37Å; L1367-L1371 WeakPolarHBondContact O-CB 3.43Å; L1367-L1371 WeakPolarHBondContact O-CG 3.36Å; L1367-L1371 PolarHBondContact O-N 2.91Å; L1369-L1371 PolarHBondContact O-N 2.83Å; L1371-V1373 PolarHBondContact O-N 2.77Å; L1371-H1374 PolarHBondContact O-N 2.81Å; L1371-E1375 WeakPolarHBondContact O-CB 3.47Å; L1371-E1375 PolarHBondContact O-N 2.91Å; L1371-M1445 HydrophobicContact CD1-CB 4.5Å; L1371-M1445 HydrophobicContact CD1-CG 4.06Å; L1371-H1448 HydrophobicContact CD1-CB 4.38Å |
| 1372 | A | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W1321 V1326 K1368 L1369 M1376 | W1321-A1372 HydrophobicContact CH2-CB 4.08Å; W1321-A1372 HydrophobicContact CZ2-CB 3.89Å; W1321-A1372 WeakPolarHBondContact CZ2-O 3.25Å; V1326-A1372 HydrophobicContact CG1-CB 3.92Å; V1326-A1372 HydrophobicContact CG2-CB 3.97Å; K1368-A1372 WeakPolarHBondContact O-CB 3.39Å; K1368-A1372 PolarHBondContact O-N 3.46Å; K1368-A1372 VanDerWaalsContact O-N 3.1Å; L1369-A1372 PolarHBondContact O-N 2.85Å; A1372-M1376 WeakPolarHBondContact O-CB 3.37Å; A1372-M1376 PolarHBondContact O-N 2.85Å |
| 1373 | V | 92 | Very high | 88.5 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 174.4 | 167.7 | 0 | 0 | 0 | 0 | 111 | F1310 W1321 L1346 A1347 L1369 R1370 L1371 M1376 L1377 | F1310-V1373 HydrophobicContact CE1-CG1 4.03Å; F1310-V1373 HydrophobicContact CE1-CG2 4.45Å; F1310-V1373 HydrophobicContact CZ-CG2 4.32Å; W1321-V1373 HydrophobicContact CH2-CG2 3.83Å; W1321-V1373 HydrophobicContact CZ3-CG2 4.27Å; L1346-V1373 HydrophobicContact CD1-CG2 4.2Å; L1346-V1373 HydrophobicContact CD2-CG2 4.2Å; L1346-V1373 HydrophobicContact CG-CG2 3.84Å; A1347-V1373 HydrophobicContact CB-CG1 4.42Å; L1369-V1373 HydrophobicContact CD1-CG2 4.24Å; L1369-V1373 WeakPolarHBondContact O-CB 3.27Å; L1369-V1373 VanDerWaalsContact O-CG2 3.3Å; L1369-V1373 WeakPolarHBondContact O-CG2 3.46Å; L1369-V1373 PolarHBondContact O-N 3.49Å; R1370-V1373 PolarHBondContact O-N 2.85Å; L1371-V1373 PolarHBondContact O-N 2.77Å; V1373-M1376 PolarHBondContact O-N 3.38Å; V1373-L1377 HydrophobicContact CG1-CD1 3.89Å; V1373-L1377 WeakPolarHBondContact O-CG 3.46Å; V1373-L1377 PolarHBondContact O-N 3.4Å |
| 1374 | H | 89.9 | Confident | 87.1 | Confident | 139 Ų | 139 | 36.4 Ų | 36.4 | 64% | 0.644 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61 | -46.2 | 178.6 | -173.2 | 104.1 | 0 | 0 | 0 | 112 | R1370 L1371 M1376 L1377 A1378 | R1370-H1374 WeakPolarHBondContact O-CB 3.32Å; R1370-H1374 PolarHBondContact O-N 3.26Å; L1371-H1374 PolarHBondContact O-N 2.81Å; H1374-M1376 PolarHBondContact O-N 2.77Å; H1374-L1377 PolarHBondContact O-N 3.24Å; H1374-A1378 PolarHBondContact O-N 2.91Å |
| 1375 | E | 86.4 | Confident | 85.1 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -43.1 | 175.7 | 179.6 | -176 | -125.8 | 0 | 0 | 112.1 | L1371 A1378 F1379 L1409 I1410 R1444 | L1371-E1375 WeakPolarHBondContact O-CB 3.47Å; L1371-E1375 PolarHBondContact O-N 2.91Å; E1375-A1378 PolarHBondContact O-N 2.64Å; E1375-F1379 WeakPolarHBondContact O-CB 3.41Å; E1375-F1379 PolarHBondContact O-N 2.87Å; E1375-L1409 WeakPolarHBondContact OE1-CB 3.49Å; E1375-I1410 HydrophobicContact CG-CG1 3.72Å; E1375-I1410 PolarHBondContact OE1-N 3.34Å; E1375-R1444 WeakPolarHBondContact OE2-CD 3.46Å; E1375-R1444 IonicContact OE2-CZ 3.02Å; E1375-R1444 IonicContact OE2-NE 3.95Å; E1375-R1444 IonicContact OE2-NH1 3.74Å; E1375-R1444 PolarHBondContact OE2-NH1 3.26Å |
| 1376 | M | 87.9 | Confident | 82.6 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.1 | -32.9 | -179.9 | -171.2 | 53.8 | 69 | 0 | 0 | 112.9 | F1310 W1313 W1321 W1325 A1372 V1373 H1374 F1379 T1380 I1410 | F1310-M1376 HydrophobicContact CB-CG 4.1Å; F1310-M1376 HydrophobicContact CD2-CB 4.07Å; F1310-M1376 HydrophobicContact CD2-CG 3.23Å; F1310-M1376 HydrophobicContact CE2-CB 4.3Å; F1310-M1376 HydrophobicContact CE2-CG 3.75Å; F1310-M1376 HydrophobicContact CG-CB 4.39Å; F1310-M1376 HydrophobicContact CG-CG 3.8Å; W1313-M1376 HydrophobicContact CH2-CE 4.01Å; W1313-M1376 HydrophobicContact CH2-CG 4.14Å; W1313-M1376 HydrophobicContact CH2-SD 3.58Å; W1313-M1376 VanDerWaalsContact CH2-SD 3.58Å; W1313-M1376 HydrophobicContact CZ2-SD 4.02Å; W1313-M1376 HydrophobicContact CZ3-CG 4.36Å; W1313-M1376 HydrophobicContact CZ3-SD 4.31Å; W1321-M1376 HydrophobicContact CZ2-CB 3.99Å; W1321-M1376 HydrophobicContact CZ2-CG 4.4Å; W1321-M1376 VanDerWaalsContact NE1-CE 3.31Å; W1325-M1376 HydrophobicContact CE3-CE 3.74Å; W1325-M1376 HydrophobicContact CZ3-CE 3.82Å; A1372-M1376 WeakPolarHBondContact O-CB 3.37Å; A1372-M1376 PolarHBondContact O-N 2.85Å; V1373-M1376 PolarHBondContact O-N 3.38Å; H1374-M1376 PolarHBondContact O-N 2.77Å; M1376-F1379 HydrophobicContact SD-CD1 3.81Å; M1376-T1380 HydrophobicContact CG-CG2 4.38Å; M1376-T1380 WeakPolarHBondContact O-CB 3.35Å; M1376-T1380 WeakPolarHBondContact O-CG2 3.24Å; M1376-T1380 PolarHBondContact O-N 2.77Å; M1376-T1380 PolarHBondContact O-OG1 3.35Å; M1376-T1380 HydrophobicContact SD-CG2 3.78Å; M1376-I1410 HydrophobicContact CE-CG2 3.92Å |
| 1377 | L | 87.8 | Confident | 79.8 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 30% | 0.304 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 170 | -75.7 | 163.8 | 0 | 0 | 0 | 110.9 | F1310 T1311 A1347 V1373 H1374 T1380 A1381 | F1310-L1377 HydrophobicContact CB-CD2 4.25Å; F1310-L1377 HydrophobicContact CD1-CD2 3.88Å; F1310-L1377 HydrophobicContact CD1-CG 4Å; T1311-L1377 HydrophobicContact CG2-CD2 4.09Å; A1347-L1377 HydrophobicContact CB-CD1 4.1Å; A1347-L1377 HydrophobicContact CB-CD2 4.3Å; V1373-L1377 HydrophobicContact CG1-CD1 3.89Å; V1373-L1377 WeakPolarHBondContact O-CG 3.46Å; V1373-L1377 PolarHBondContact O-N 3.4Å; H1374-L1377 PolarHBondContact O-N 3.24Å; L1377-T1380 PolarHBondContact O-N 2.69Å; L1377-T1380 PolarHBondContact O-OG1 2.83Å; L1377-A1381 VanDerWaalsContact O-CB 3.27Å; L1377-A1381 WeakPolarHBondContact O-CB 3.36Å; L1377-A1381 PolarHBondContact O-N 3.14Å |
| 1378 | A | 83.2 | Confident | 76.9 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 50% | 0.504 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H1374 E1375 A1381 S1382 | H1374-A1378 PolarHBondContact O-N 2.91Å; E1375-A1378 PolarHBondContact O-N 2.64Å; A1378-A1381 PolarHBondContact O-N 3.33Å; A1378-S1382 PolarHBondContact O-N 2.82Å; A1378-S1382 VanDerWaalsContact O-N 3.12Å |
| 1379 | F | 85 | Confident | 73.9 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 8% | 0.075 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.3 | -52 | 176.8 | 173 | -117.7 | 0 | 0 | 0 | 112 | I1304 E1375 M1376 A1381 S1382 L1383 A1406 I1410 | I1304-F1379 HydrophobicContact CD1-CE1 4.13Å; I1304-F1379 HydrophobicContact CG1-CE1 4.38Å; I1304-F1379 HydrophobicContact CG2-CE1 4.39Å; I1304-F1379 HydrophobicContact CG2-CZ 4.35Å; E1375-F1379 WeakPolarHBondContact O-CB 3.41Å; E1375-F1379 PolarHBondContact O-N 2.87Å; M1376-F1379 HydrophobicContact SD-CD1 3.81Å; F1379-A1381 VanDerWaalsContact C-N 3.32Å; F1379-A1381 PolarHBondContact O-N 3.12Å; F1379-S1382 WeakPolarHBondContact O-CB 3.4Å; F1379-S1382 PolarHBondContact O-N 2.76Å; F1379-S1382 VanDerWaalsContact O-N 3.1Å; F1379-S1382 PolarHBondContact O-OG 2.85Å; F1379-L1383 HydrophobicContact CE1-CD1 3.93Å; F1379-L1383 HydrophobicContact CE2-CD1 4.44Å; F1379-L1383 HydrophobicContact CE2-CD2 4.19Å; F1379-L1383 HydrophobicContact CE2-CG 4.36Å; F1379-L1383 HydrophobicContact CZ-CD1 3.89Å; F1379-L1383 HydrophobicContact CZ-CD2 4.23Å; F1379-L1383 HydrophobicContact CZ-CG 4.29Å; F1379-L1383 PolarHBondContact O-N 3.13Å; F1379-A1406 HydrophobicContact CD2-CB 4.28Å; F1379-A1406 HydrophobicContact CE2-CB 3.75Å; F1379-A1406 HydrophobicContact CZ-CB 4.49Å; F1379-I1410 HydrophobicContact CB-CD1 3.89Å; F1379-I1410 HydrophobicContact CD1-CG2 4.03Å; F1379-I1410 HydrophobicContact CD2-CD1 3.69Å; F1379-I1410 HydrophobicContact CE1-CG2 4.35Å; F1379-I1410 HydrophobicContact CE2-CD1 4.39Å; F1379-I1410 HydrophobicContact CG-CD1 3.78Å; F1379-I1410 HydrophobicContact CG-CG2 4.3Å |
| 1380 | T | 85 | Confident | 70.9 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.7 | -28.3 | -178.1 | 57.6 | 0 | 0 | 0 | 0 | 113 | F1310 W1313 M1376 L1377 L1383 | F1310-T1380 HydrophobicContact CB-CG2 4.2Å; F1310-T1380 WeakPolarHBondContact CB-OG1 3.34Å; F1310-T1380 PolarHBondContact N-OG1 3.37Å; W1313-T1380 HydrophobicContact CZ2-CG2 3.97Å; M1376-T1380 HydrophobicContact CG-CG2 4.38Å; M1376-T1380 WeakPolarHBondContact O-CB 3.35Å; M1376-T1380 WeakPolarHBondContact O-CG2 3.24Å; M1376-T1380 PolarHBondContact O-N 2.77Å; M1376-T1380 PolarHBondContact O-OG1 3.35Å; M1376-T1380 HydrophobicContact SD-CG2 3.78Å; L1377-T1380 PolarHBondContact O-N 2.69Å; L1377-T1380 PolarHBondContact O-OG1 2.83Å; T1380-L1383 PolarHBondContact O-N 3.22Å |
| 1381 | A | 79.8 | Confident | 68 | Low | 56 Ų | 56 | 66.3 Ų | 66.3 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1377 A1378 F1379 L1383 T1384 | L1377-A1381 VanDerWaalsContact O-CB 3.27Å; L1377-A1381 WeakPolarHBondContact O-CB 3.36Å; L1377-A1381 PolarHBondContact O-N 3.14Å; A1378-A1381 PolarHBondContact O-N 3.33Å; F1379-A1381 VanDerWaalsContact C-N 3.32Å; F1379-A1381 PolarHBondContact O-N 3.12Å; A1381-L1383 PolarHBondContact O-N 2.86Å; A1381-T1384 PolarHBondContact O-N 2.77Å; A1381-T1384 PolarHBondContact O-OG1 2.97Å |
| 1382 | S | 70.8 | Confident | 65.2 | Low | 79 Ų | 79 | 73.4 Ų | 73.4 | 55% | 0.552 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.1 | -30.3 | 178.3 | 79.7 | 0 | 0 | 0 | 0 | 113.7 | A1378 F1379 T1384 | A1378-S1382 PolarHBondContact O-N 2.82Å; A1378-S1382 VanDerWaalsContact O-N 3.12Å; F1379-S1382 WeakPolarHBondContact O-CB 3.4Å; F1379-S1382 PolarHBondContact O-N 2.76Å; F1379-S1382 VanDerWaalsContact O-N 3.1Å; F1379-S1382 PolarHBondContact O-OG 2.85Å; S1382-T1384 VanDerWaalsContact C-N 3.34Å; S1382-T1384 PolarHBondContact O-N 3.42Å |
| 1383 | L | 71.7 | Confident | 62.4 | Low | 32 Ų | 32 | 81.3 Ų | 81.3 | 17% | 0.168 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -72 | -23.6 | 176.4 | -61.7 | 178 | 0 | 0 | 0 | 113.7 | I1304 N1307 F1379 T1380 A1381 | I1304-L1383 HydrophobicContact CG2-CD1 4.1Å; N1307-L1383 HydrophobicContact CB-CB 4.32Å; F1379-L1383 HydrophobicContact CE1-CD1 3.93Å; F1379-L1383 HydrophobicContact CE2-CD1 4.44Å; F1379-L1383 HydrophobicContact CE2-CD2 4.19Å; F1379-L1383 HydrophobicContact CE2-CG 4.36Å; F1379-L1383 HydrophobicContact CZ-CD1 3.89Å; F1379-L1383 HydrophobicContact CZ-CD2 4.23Å; F1379-L1383 HydrophobicContact CZ-CG 4.29Å; F1379-L1383 PolarHBondContact O-N 3.13Å; T1380-L1383 PolarHBondContact O-N 3.22Å; A1381-L1383 PolarHBondContact O-N 2.86Å |
| 1384 | T | 63.9 | Low | 59.4 | Low | 77 Ų | 77 | 84.2 Ų | 84.2 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -91 | -9.3 | -176.4 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | P1309 A1381 S1382 T1386 | P1309-T1384 HydrophobicContact CB-CG2 4.47Å; A1381-T1384 PolarHBondContact O-N 2.77Å; A1381-T1384 PolarHBondContact O-OG1 2.97Å; S1382-T1384 VanDerWaalsContact C-N 3.34Å; S1382-T1384 PolarHBondContact O-N 3.42Å; T1384-T1386 VanDerWaalsContact C-N 3.3Å; T1384-T1386 PolarHBondContact O-N 3.12Å |
| 1385 | G | 52.5 | Low | 56.5 | Low | 63 Ų | 63 | 87 Ų | 87 | 65% | 0.649 | 54% | 0.535 | S | S | * | . | trans | -71.8 | -7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117 | T1387 | G1385-T1387 PolarHBondContact O-N 2.98Š| ||
| 1386 | T | 43.8 | Very low | 53.9 | Low | 102 Ų | 102 | 92.2 Ų | 92.2 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | trans | -92.8 | 93.4 | -173.7 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | T1384 P1388 | T1384-T1386 VanDerWaalsContact C-N 3.3Å; T1384-T1386 PolarHBondContact O-N 3.12Å; T1386-P1388 WeakPolarHBondContact O-CD 3.42Å | ||
| 1387 | T | 35.6 | Very low | 51.2 | Low | 127 Ų | 127 | 97.4 Ų | 97.4 | 78% | 0.779 | 61% | 0.606 | S | S | * | * | trans | -68.8 | 123.4 | 171.8 | 53.4 | 0 | 0 | 0 | 0 | 111.6 | G1385 N1389 | G1385-T1387 PolarHBondContact O-N 2.98Å; T1387-N1389 PolarHBondContact O-N 2.9Å | ||
| 1388 | P | 33.1 | Very low | 48.4 | Very low | 128 Ų | 128 | 100.8 Ų | 100.8 | 83% | 0.831 | 63% | 0.629 | S | S | * | * | trans | -79.7 | 119.6 | 178.3 | 31.3 | -32.6 | 0 | 0 | 0 | 110.7 | T1386 | T1386-P1388 WeakPolarHBondContact O-CD 3.42Š| ||
| 1389 | N | 32.5 | Very low | 45.8 | Very low | 132 Ų | 132 | 101.9 Ų | 101.9 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | trans | -129.3 | 130.4 | 172.9 | -130.7 | 5.6 | 0 | 0 | 0 | 111.1 | T1387 Q1630 | T1387-N1389 PolarHBondContact O-N 2.9Å; N1389-Q1630 PolarHBondContact ND2-NE2 3.15Å; N1389-Q1630 VanDerWaalsContact ND2-NE2 3.2Å | ||
| 1390 | S | 29.8 | Very low | 43.2 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | trans | -99.1 | 116 | -161.7 | -179.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1391 | T | 33.9 | Very low | 40.7 | Very low | 136 Ų | 136 | 117.1 Ų | 117.1 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | -150.1 | 85 | 158 | -43 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1392 | K | 33.9 | Very low | 38.5 | Very low | 180 Ų | 180 | 122.9 Ų | 122.9 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | 26.1 | 105.4 | 146.9 | -57.5 | 177.7 | -178 | 177.9 | 0 | 118.6 | ||||
| 1393 | N | 31.2 | Very low | 36.7 | Very low | 166 Ų | 166 | 123.5 Ų | 123.5 | 89% | 0.888 | 72% | 0.717 | S | S | * | * | 156.6 | 152 | 118.7 | -78.1 | -17.1 | 0 | 0 | 0 | 112.4 | |||||
| 1394 | G | 30.1 | Very low | 35 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 91.9 | 76.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | T1396 | G1394-T1396 PolarHBondContact O-N 3.26Š| ||
| 1395 | E | 28.1 | Very low | 33.7 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | trans | -21.6 | 107.8 | 160.9 | -59 | 171.4 | 161.9 | 0 | 0 | 117.6 | ||||
| 1396 | T | 32.9 | Very low | 33.2 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | trans | -130.6 | 135 | 136.4 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | G1394 | G1394-T1396 PolarHBondContact O-N 3.26Š| ||
| 1397 | S | 29.8 | Very low | 33.8 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | trans | -85.5 | 133.9 | -166.3 | -161.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1398 | T | 30.8 | Very low | 35 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | 23.3 | 111.1 | 129.4 | -36.4 | 0 | 0 | 0 | 0 | 117 | |||||
| 1399 | S | 28.7 | Very low | 36.6 | Very low | 84 Ų | 84 | 121.7 Ų | 121.7 | 59% | 0.587 | 68% | 0.678 | S | S | * | * | 177.2 | 115.4 | 127.2 | -175.2 | 0 | 0 | 0 | 0 | 112 | K1401 | S1399-K1401 PolarHBondContact O-N 3.42Š| |||
| 1400 | M | 29.6 | Very low | 38.2 | Very low | 156 Ų | 156 | 115.7 Ų | 115.7 | 77% | 0.768 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 55.3 | -12.9 | 143.3 | -131.7 | 170.2 | -66.8 | 0 | 0 | 121.6 | Q1402 L1403 | M1400-Q1402 VanDerWaalsContact C-N 3.33Å; M1400-Q1402 PolarHBondContact O-N 2.85Å; M1400-L1403 HydrophobicContact CG-CD1 4.22Å; M1400-L1403 PolarHBondContact O-N 3.31Å |
| 1401 | K | 33 | Very low | 40 | Very low | 185 Ų | 185 | 116 Ų | 116 | 80% | 0.804 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -75.4 | -13.3 | -172.6 | -73.4 | -172.1 | 174.5 | -173.6 | 0 | 115.3 | S1399 L1403 | S1399-K1401 PolarHBondContact O-N 3.42Å; K1401-L1403 PolarHBondContact O-N 2.87Å |
| 1402 | Q | 32.4 | Very low | 41.7 | Very low | 176 Ų | 176 | 110 Ų | 110 | 82% | 0.822 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -81.2 | -1.8 | 178.5 | -157.1 | 157.1 | -2.6 | 0 | 0 | 113.3 | M1400 H1404 | M1400-Q1402 VanDerWaalsContact C-N 3.33Å; M1400-Q1402 PolarHBondContact O-N 2.85Å; Q1402-H1404 PolarHBondContact O-N 3.04Å |
| 1403 | L | 34.4 | Very low | 43.7 | Very low | 92 Ų | 92 | 104.8 Ų | 104.8 | 48% | 0.482 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -77.5 | 1.7 | 169.7 | -81.7 | 165.4 | 0 | 0 | 0 | 114 | M1400 K1401 L1405 A1406 | M1400-L1403 HydrophobicContact CG-CD1 4.22Å; M1400-L1403 PolarHBondContact O-N 3.31Å; K1401-L1403 PolarHBondContact O-N 2.87Å; L1403-L1405 PolarHBondContact O-N 3.46Å; L1403-A1406 HydrophobicContact CD2-CB 4.48Å; L1403-A1406 WeakPolarHBondContact O-CB 3.32Å; L1403-A1406 PolarHBondContact O-N 3.44Å |
| 1404 | H | 35.3 | Very low | 46.3 | Very low | 175 Ų | 175 | 97.1 Ų | 97.1 | 81% | 0.81 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -71.5 | 2.2 | -177.1 | -136.5 | -68.8 | 0 | 0 | 0 | 115 | Q1402 | Q1402-H1404 PolarHBondContact O-N 3.04Š|
| 1405 | L | 36.1 | Very low | 49.1 | Very low | 163 Ų | 163 | 95 Ų | 95 | 85% | 0.853 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -104.2 | 2.6 | 169 | -98.4 | 69.4 | 0 | 0 | 0 | 113.2 | L1403 S1407 | L1403-L1405 PolarHBondContact O-N 3.46Å; L1405-S1407 PolarHBondContact O-N 2.93Å |
| 1406 | A | 43.5 | Very low | 52.2 | Low | 29 Ų | 29 | 86.7 Ų | 86.7 | 24% | 0.24 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -81.7 | 103.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F1379 L1403 I1410 | F1379-A1406 HydrophobicContact CD2-CB 4.28Å; F1379-A1406 HydrophobicContact CE2-CB 3.75Å; F1379-A1406 HydrophobicContact CZ-CB 4.49Å; L1403-A1406 HydrophobicContact CD2-CB 4.48Å; L1403-A1406 WeakPolarHBondContact O-CB 3.32Å; L1403-A1406 PolarHBondContact O-N 3.44Å; A1406-I1410 HydrophobicContact CB-CD1 4.05Å |
| 1407 | S | 55.6 | Low | 55 | Low | 61 Ų | 61 | 84.8 Ų | 84.8 | 43% | 0.427 | 45% | 0.45 | S | S | . | . | trans | -44.7 | 132.7 | 174.6 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | L1405 L1409 I1410 | L1405-S1407 PolarHBondContact O-N 2.93Å; S1407-L1409 PolarHBondContact O-N 3.04Å; S1407-I1410 WeakPolarHBondContact O-CB 3.24Å; S1407-I1410 WeakPolarHBondContact O-CG1 3.36Å; S1407-I1410 PolarHBondContact O-N 3.47Å | ||
| 1408 | P | 60.9 | Low | 58 | Low | 36 Ų | 36 | 80 Ų | 80 | 23% | 0.234 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -54.4 | -28.4 | -177.1 | -27.9 | 34.9 | 0 | 0 | 0 | 114.1 | I1410 Y1481 D1482 | P1408-I1410 VanDerWaalsContact C-N 3.31Å; P1408-I1410 PolarHBondContact O-N 3.48Å; P1408-Y1481 WeakPolarHBondContact CB-O 3.4Å; P1408-D1482 HydrophobicContact CG-CB 4.42Å |
| 1409 | L | 66.9 | Low | 61 | Low | 27 Ų | 27 | 73.8 Ų | 73.8 | 14% | 0.141 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -56.3 | -34.9 | 176.1 | -61.7 | 169.8 | 0 | 0 | 0 | 114 | E1375 S1407 K1411 G1412 L1414 A1443 R1444 Y1481 | E1375-L1409 WeakPolarHBondContact OE1-CB 3.49Å; S1407-L1409 PolarHBondContact O-N 3.04Å; L1409-K1411 VanDerWaalsContact C-N 3.34Å; L1409-K1411 PolarHBondContact O-N 3.29Å; L1409-G1412 PolarHBondContact O-N 3.18Å; L1409-G1412 VanDerWaalsContact O-N 3.09Å; L1409-L1414 HydrophobicContact CD2-CD1 4.05Å; L1409-A1443 HydrophobicContact CD2-CB 3.54Å; L1409-R1444 HydrophobicContact CB-CG 3.82Å; L1409-R1444 HydrophobicContact CD1-CG 4.11Å; L1409-R1444 HydrophobicContact CD2-CG 3.97Å; L1409-R1444 HydrophobicContact CG-CG 4.17Å; L1409-R1444 PolarHBondContact O-NH1 2.9Å; L1409-Y1481 HydrophobicContact CD1-CD2 4.34Å; L1409-Y1481 HydrophobicContact CD1-CG 4.22Å; L1409-Y1481 HydrophobicContact CD2-CD1 4.01Å; L1409-Y1481 HydrophobicContact CD2-CG 4.13Å; L1409-Y1481 HydrophobicContact CG-CG 4.4Å |
| 1410 | I | 65.7 | Low | 64.1 | Low | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -57.6 | -43 | -174.3 | -66.9 | 163.2 | 0 | 0 | 0 | 112.3 | W1325 E1375 M1376 F1379 A1406 S1407 P1408 G1412 | W1325-I1410 HydrophobicContact CE3-CG2 4.23Å; W1325-I1410 VanDerWaalsContact CE3-O 3.26Å; W1325-I1410 HydrophobicContact CZ3-CG2 3.82Å; E1375-I1410 HydrophobicContact CG-CG1 3.72Å; E1375-I1410 PolarHBondContact OE1-N 3.34Å; M1376-I1410 HydrophobicContact CE-CG2 3.92Å; F1379-I1410 HydrophobicContact CB-CD1 3.89Å; F1379-I1410 HydrophobicContact CD1-CG2 4.03Å; F1379-I1410 HydrophobicContact CD2-CD1 3.69Å; F1379-I1410 HydrophobicContact CE1-CG2 4.35Å; F1379-I1410 HydrophobicContact CE2-CD1 4.39Å; F1379-I1410 HydrophobicContact CG-CD1 3.78Å; F1379-I1410 HydrophobicContact CG-CG2 4.3Å; A1406-I1410 HydrophobicContact CB-CD1 4.05Å; S1407-I1410 WeakPolarHBondContact O-CB 3.24Å; S1407-I1410 WeakPolarHBondContact O-CG1 3.36Å; S1407-I1410 PolarHBondContact O-N 3.47Å; P1408-I1410 VanDerWaalsContact C-N 3.31Å; P1408-I1410 PolarHBondContact O-N 3.48Å; I1410-G1412 VanDerWaalsContact C-N 3.27Å; I1410-G1412 PolarHBondContact O-N 3.34Å |
| 1411 | K | 67.2 | Low | 67.2 | Low | 112 Ų | 112 | 65.4 Ų | 65.4 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -78.3 | -8.4 | -176.5 | -66.5 | 171.1 | -178.4 | 165.9 | 0 | 113.7 | W1325 L1409 E1413 | W1325-K1411 HydrophobicContact CH2-CG 4.42Å; L1409-K1411 VanDerWaalsContact C-N 3.34Å; L1409-K1411 PolarHBondContact O-N 3.29Å; K1411-E1413 HydrophobicContact CB-CG 4.04Å; K1411-E1413 HydrophobicContact CD-CG 4.47Å; K1411-E1413 WeakPolarHBondContact CD-OE1 3.48Å; K1411-E1413 IonicContact NZ-OE1 2.64Å; K1411-E1413 PolarHBondContact NZ-OE1 2.83Å |
| 1412 | G | 69.4 | Low | 70.1 | Confident | 12 Ų | 12 | 59 Ų | 59 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 17.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | W1325 L1409 I1410 L1414 N1415 | W1325-G1412 VanDerWaalsContact O-CA 3.23Å; W1325-G1412 WeakPolarHBondContact O-CA 3.31Å; L1409-G1412 PolarHBondContact O-N 3.18Å; L1409-G1412 VanDerWaalsContact O-N 3.09Å; I1410-G1412 VanDerWaalsContact C-N 3.27Å; I1410-G1412 PolarHBondContact O-N 3.34Å; G1412-L1414 PolarHBondContact O-N 3.15Å; G1412-N1415 WeakPolarHBondContact O-CB 3.32Å; G1412-N1415 PolarHBondContact O-N 3.35Å; G1412-N1415 VanDerWaalsContact O-N 3.15Å |
| 1413 | E | 76.2 | Confident | 73.1 | Confident | 69 Ų | 69 | 50.8 Ų | 50.8 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24 | -179.5 | -66.2 | 178.8 | -162.4 | 0 | 0 | 112.7 | K1411 R1483 | K1411-E1413 HydrophobicContact CB-CG 4.04Å; K1411-E1413 HydrophobicContact CD-CG 4.47Å; K1411-E1413 WeakPolarHBondContact CD-OE1 3.48Å; K1411-E1413 IonicContact NZ-OE1 2.64Å; K1411-E1413 PolarHBondContact NZ-OE1 2.83Å; E1413-R1483 WeakPolarHBondContact O-CD 3.2Å; E1413-R1483 PolarHBondContact O-NH1 3.41Å; E1413-R1483 VanDerWaalsContact O-NH1 3.13Å |
| 1414 | L | 85.6 | Confident | 76 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 47.7 | 173 | -61.2 | -176.9 | 0 | 0 | 0 | 112.6 | L1409 G1412 W1418 A1443 Y1481 R1483 | L1409-L1414 HydrophobicContact CD2-CD1 4.05Å; G1412-L1414 PolarHBondContact O-N 3.15Å; L1414-W1418 HydrophobicContact CB-CE3 4.4Å; L1414-W1418 HydrophobicContact CD2-CD2 3.68Å; L1414-W1418 HydrophobicContact CD2-CE3 3.54Å; L1414-W1418 HydrophobicContact CD2-CG 4.46Å; L1414-W1418 HydrophobicContact CD2-CH2 3.64Å; L1414-W1418 HydrophobicContact CD2-CZ2 3.77Å; L1414-W1418 HydrophobicContact CD2-CZ3 3.54Å; L1414-A1443 HydrophobicContact CB-CB 3.56Å; L1414-A1443 HydrophobicContact CD1-CB 3.77Å; L1414-A1443 HydrophobicContact CG-CB 4.34Å; L1414-A1443 PolarHBondContact O-N 3.44Å; L1414-Y1481 HydrophobicContact CD1-CD1 4.31Å; L1414-Y1481 WeakPolarHBondContact CD1-O 3.5Å; L1414-R1483 HydrophobicContact CD2-CB 3.62Å; L1414-R1483 HydrophobicContact CD2-CG 3.77Å; L1414-R1483 HydrophobicContact CG-CB 4.32Å |
| 1415 | N | 89.7 | Confident | 78.9 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 17% | 0.166 | 22% | 0.217 | C | C | . | . | trans | -66.6 | 177.8 | 179.6 | 77.7 | 0.2 | 0 | 0 | 0 | 113.5 | G1412 E1417 W1418 I1419 | G1412-N1415 WeakPolarHBondContact O-CB 3.32Å; G1412-N1415 PolarHBondContact O-N 3.35Å; G1412-N1415 VanDerWaalsContact O-N 3.15Å; N1415-E1417 PolarHBondContact ND2-OE2 2.8Å; N1415-E1417 PolarHBondContact O-N 2.94Å; N1415-E1417 WeakPolarHBondContact OD1-CA 3.34Å; N1415-E1417 WeakPolarHBondContact OD1-CB 3.27Å; N1415-E1417 PolarHBondContact OD1-N 3.45Å; N1415-W1418 PolarHBondContact O-N 2.71Å; N1415-W1418 VanDerWaalsContact O-N 3.14Å; N1415-W1418 PolarHBondContact OD1-N 3.5Å; N1415-I1419 WeakPolarHBondContact O-CG1 3.37Å; N1415-I1419 PolarHBondContact O-N 3.44Å | ||
| 1416 | H | 92.8 | Very high | 81.7 | Confident | 22 Ų | 22 | 32.5 Ų | 32.5 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.1 | -21.8 | 179.7 | 72 | -85.3 | 0 | 0 | 0 | 114.3 | G1327 G1420 L1440 V1441 | G1327-H1416 PolarHBondContact O-CE1 3.23Å; H1416-G1420 PolarHBondContact O-N 2.99Å; H1416-L1440 VanDerWaalsContact CB-C 3.42Å; H1416-L1440 WeakPolarHBondContact CB-O 3.26Å; H1416-V1441 WeakPolarHBondContact CA-O 3.36Å; H1416-V1441 VanDerWaalsContact CB-O 3.31Å; H1416-V1441 WeakPolarHBondContact CB-O 3.4Å |
| 1417 | E | 91 | Very high | 84.2 | Confident | 100 Ų | 100 | 31.2 Ų | 31.2 | 47% | 0.467 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -75.9 | -39.3 | 173.2 | -53.6 | 175.2 | 117.4 | 0 | 0 | 111.1 | N1415 N1421 | N1415-E1417 PolarHBondContact ND2-OE2 2.8Å; N1415-E1417 PolarHBondContact O-N 2.94Å; N1415-E1417 WeakPolarHBondContact OD1-CA 3.34Å; N1415-E1417 WeakPolarHBondContact OD1-CB 3.27Å; N1415-E1417 PolarHBondContact OD1-N 3.45Å; E1417-N1421 WeakPolarHBondContact O-CB 3.29Å; E1417-N1421 VanDerWaalsContact O-CG 3.29Å; E1417-N1421 PolarHBondContact O-N 3.42Å; E1417-N1421 PolarHBondContact O-ND2 3.06Å |
| 1418 | W | 92.5 | Very high | 86.1 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -44.1 | 172.8 | -175.1 | 89.8 | 0 | 0 | 0 | 110.9 | L1414 N1415 G1420 V1422 W1423 L1476 R1483 I1486 E1487 | L1414-W1418 HydrophobicContact CB-CE3 4.4Å; L1414-W1418 HydrophobicContact CD2-CD2 3.68Å; L1414-W1418 HydrophobicContact CD2-CE3 3.54Å; L1414-W1418 HydrophobicContact CD2-CG 4.46Å; L1414-W1418 HydrophobicContact CD2-CH2 3.64Å; L1414-W1418 HydrophobicContact CD2-CZ2 3.77Å; L1414-W1418 HydrophobicContact CD2-CZ3 3.54Å; N1415-W1418 PolarHBondContact O-N 2.71Å; N1415-W1418 VanDerWaalsContact O-N 3.14Å; N1415-W1418 PolarHBondContact OD1-N 3.5Å; W1418-G1420 PolarHBondContact O-N 2.65Å; W1418-V1422 HydrophobicContact CG-CB 4.29Å; W1418-V1422 HydrophobicContact CG-CG2 4.49Å; W1418-V1422 WeakPolarHBondContact O-CA 3.49Å; W1418-V1422 WeakPolarHBondContact O-CB 3.43Å; W1418-V1422 PolarHBondContact O-N 2.82Å; W1418-W1423 HydrophobicContact CD2-CB 4.36Å; W1418-W1423 HydrophobicContact CE3-CB 3.71Å; W1418-W1423 HydrophobicContact CE3-CG 4.29Å; W1418-W1423 HydrophobicContact CH2-CB 3.85Å; W1418-W1423 AromaticContact CH2-CD1 3.48Å; W1418-W1423 VanDerWaalsContact CH2-CD1 3.48Å; W1418-W1423 AromaticContact CH2-CG 3.84Å; W1418-W1423 HydrophobicContact CH2-CG 3.84Å; W1418-W1423 HydrophobicContact CZ2-CB 4.45Å; W1418-W1423 HydrophobicContact CZ3-CB 3.42Å; W1418-W1423 VanDerWaalsContact CZ3-CB 3.42Å; W1418-W1423 AromaticContact CZ3-CD1 3.62Å; W1418-W1423 HydrophobicContact CZ3-CD2 4.36Å; W1418-W1423 AromaticContact CZ3-CG 3.53Å; W1418-W1423 HydrophobicContact CZ3-CG 3.53Å; W1418-W1423 PolarHBondContact O-N 3.35Å; W1418-L1476 HydrophobicContact CH2-CD2 4.1Å; W1418-L1476 HydrophobicContact CZ3-CD2 4.5Å; W1418-R1483 HydrophobicContact CZ2-CG 4.32Å; W1418-I1486 HydrophobicContact CZ2-CG2 4.26Å; W1418-E1487 PolarHBondContact NE1-OE1 2.93Å; W1418-E1487 VanDerWaalsContact NE1-OE1 3.1Å |
| 1419 | I | 95 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -56.3 | -50.8 | 174.7 | -69.6 | -63.9 | 0 | 0 | 0 | 111.2 | N1415 W1423 L1424 F1436 V1441 A1443 L1446 | N1415-I1419 WeakPolarHBondContact O-CG1 3.37Å; N1415-I1419 PolarHBondContact O-N 3.44Å; I1419-W1423 HydrophobicContact CD1-CB 4.42Å; I1419-W1423 HydrophobicContact CD1-CD2 4.06Å; I1419-W1423 HydrophobicContact CD1-CE3 3.69Å; I1419-W1423 HydrophobicContact CD1-CG 4.41Å; I1419-W1423 HydrophobicContact CD1-CZ3 4.22Å; I1419-W1423 HydrophobicContact CG2-CE3 4.24Å; I1419-L1424 HydrophobicContact CG2-CD1 4.29Å; I1419-L1424 WeakPolarHBondContact O-CB 3.37Å; I1419-L1424 PolarHBondContact O-N 3.39Å; I1419-F1436 HydrophobicContact CG2-CD1 3.85Å; I1419-V1441 WeakPolarHBondContact CB-O 3.14Å; I1419-V1441 WeakPolarHBondContact CG2-O 3.44Å; I1419-A1443 HydrophobicContact CD1-CB 4.23Å; I1419-L1446 HydrophobicContact CD1-CD1 3.85Å |
| 1420 | G | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -74.2 | -42.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1416 W1418 P1425 R1433 | H1416-G1420 PolarHBondContact O-N 2.99Å; W1418-G1420 PolarHBondContact O-N 2.65Å; G1420-P1425 WeakPolarHBondContact O-CD 3.36Å; G1420-R1433 VanDerWaalsContact O-CD 3.27Å; G1420-R1433 WeakPolarHBondContact O-CD 3.23Å; G1420-R1433 WeakPolarHBondContact O-CG 2.98Å |
| 1421 | N | 94.3 | Very high | 90.5 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 34% | 0.337 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -92.8 | -23.7 | -171.4 | -59.6 | -58.5 | 0 | 0 | 0 | 114.5 | E1417 R1433 | E1417-N1421 WeakPolarHBondContact O-CB 3.29Å; E1417-N1421 VanDerWaalsContact O-CG 3.29Å; E1417-N1421 PolarHBondContact O-N 3.42Å; E1417-N1421 PolarHBondContact O-ND2 3.06Å; N1421-R1433 PolarHBondContact OD1-NE 2.8Å; N1421-R1433 PolarHBondContact OD1-NH2 3.49Å |
| 1422 | V | 93.5 | Very high | 91.9 | Very high | 52 Ų | 52 | 29.2 Ų | 29.2 | 32% | 0.315 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -119 | -52.5 | -172.9 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | W1418 S1426 | W1418-V1422 HydrophobicContact CG-CB 4.29Å; W1418-V1422 HydrophobicContact CG-CG2 4.49Å; W1418-V1422 WeakPolarHBondContact O-CA 3.49Å; W1418-V1422 WeakPolarHBondContact O-CB 3.43Å; W1418-V1422 PolarHBondContact O-N 2.82Å; V1422-S1426 WeakPolarHBondContact O-CB 3.39Å; V1422-S1426 PolarHBondContact O-N 3Å; V1422-S1426 VanDerWaalsContact O-N 3.11Å |
| 1423 | W | 95.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -78.6 | -50.9 | -169.3 | -174.6 | 75.9 | 0 | 0 | 0 | 113.5 | W1418 I1419 S1426 L1427 L1446 L1469 I1473 L1476 | W1418-W1423 HydrophobicContact CD2-CB 4.36Å; W1418-W1423 HydrophobicContact CE3-CB 3.71Å; W1418-W1423 HydrophobicContact CE3-CG 4.29Å; W1418-W1423 HydrophobicContact CH2-CB 3.85Å; W1418-W1423 AromaticContact CH2-CD1 3.48Å; W1418-W1423 VanDerWaalsContact CH2-CD1 3.48Å; W1418-W1423 AromaticContact CH2-CG 3.84Å; W1418-W1423 HydrophobicContact CH2-CG 3.84Å; W1418-W1423 HydrophobicContact CZ2-CB 4.45Å; W1418-W1423 HydrophobicContact CZ3-CB 3.42Å; W1418-W1423 VanDerWaalsContact CZ3-CB 3.42Å; W1418-W1423 AromaticContact CZ3-CD1 3.62Å; W1418-W1423 HydrophobicContact CZ3-CD2 4.36Å; W1418-W1423 AromaticContact CZ3-CG 3.53Å; W1418-W1423 HydrophobicContact CZ3-CG 3.53Å; W1418-W1423 PolarHBondContact O-N 3.35Å; I1419-W1423 HydrophobicContact CD1-CB 4.42Å; I1419-W1423 HydrophobicContact CD1-CD2 4.06Å; I1419-W1423 HydrophobicContact CD1-CE3 3.69Å; I1419-W1423 HydrophobicContact CD1-CG 4.41Å; I1419-W1423 HydrophobicContact CD1-CZ3 4.22Å; I1419-W1423 HydrophobicContact CG2-CE3 4.24Å; W1423-S1426 CarbonylContact O-C 3.56Å; W1423-S1426 WeakPolarHBondContact O-CA 3.44Å; W1423-S1426 WeakPolarHBondContact O-CB 3.38Å; W1423-S1426 PolarHBondContact O-N 3.15Å; W1423-S1426 PolarHBondContact O-OG 3.47Å; W1423-L1427 HydrophobicContact CD2-CD1 4.16Å; W1423-L1427 HydrophobicContact CE3-CD1 4.21Å; W1423-L1427 HydrophobicContact CH2-CD1 3.85Å; W1423-L1427 HydrophobicContact CZ2-CD1 3.78Å; W1423-L1427 HydrophobicContact CZ3-CD1 4.06Å; W1423-L1427 PolarHBondContact O-N 2.83Å; W1423-L1446 HydrophobicContact CE3-CD1 4.49Å; W1423-L1446 HydrophobicContact CH2-CD1 3.56Å; W1423-L1446 HydrophobicContact CH2-CD2 4.02Å; W1423-L1446 HydrophobicContact CH2-CG 4.44Å; W1423-L1446 HydrophobicContact CZ2-CD1 4.09Å; W1423-L1446 HydrophobicContact CZ3-CD1 3.8Å; W1423-L1446 HydrophobicContact CZ3-CD2 3.79Å; W1423-L1446 HydrophobicContact CZ3-CG 4.48Å; W1423-L1469 HydrophobicContact CH2-CD1 3.62Å; W1423-L1469 HydrophobicContact CZ3-CD1 3.63Å; W1423-I1473 HydrophobicContact CH2-CG1 3.86Å; W1423-I1473 HydrophobicContact CZ2-CG1 4.35Å; W1423-L1476 HydrophobicContact CD2-CD1 4.35Å; W1423-L1476 HydrophobicContact CH2-CD1 4.29Å; W1423-L1476 HydrophobicContact CZ2-CD1 3.49Å; W1423-L1476 VanDerWaalsContact CZ2-CD1 3.49Å; W1423-L1476 HydrophobicContact CZ2-CG 3.95Å |
| 1424 | L | 96.3 | Very high | 94 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.4 | -47.5 | 175.3 | -115.9 | 66.8 | 0 | 0 | 0 | 112.6 | I1419 S1426 L1427 G1428 L1429 F1436 L1469 | I1419-L1424 HydrophobicContact CG2-CD1 4.29Å; I1419-L1424 WeakPolarHBondContact O-CB 3.37Å; I1419-L1424 PolarHBondContact O-N 3.39Å; L1424-S1426 VanDerWaalsContact C-N 3.32Å; L1424-S1426 PolarHBondContact O-N 3.38Å; L1424-L1427 PolarHBondContact O-N 3.27Å; L1424-G1428 PolarHBondContact O-N 3.29Å; L1424-L1429 HydrophobicContact CG-CB 4.16Å; L1424-L1429 PolarHBondContact O-N 3.47Å; L1424-F1436 HydrophobicContact CD1-CD1 3.89Å; L1424-F1436 HydrophobicContact CD1-CE1 3.9Å; L1424-F1436 HydrophobicContact CD1-CG 4.25Å; L1424-F1436 HydrophobicContact CD1-CZ 4.25Å; L1424-F1436 HydrophobicContact CD2-CB 4.13Å; L1424-F1436 HydrophobicContact CD2-CD1 4.27Å; L1424-F1436 HydrophobicContact CD2-CD2 3.69Å; L1424-F1436 HydrophobicContact CD2-CE2 4.13Å; L1424-F1436 HydrophobicContact CD2-CG 3.77Å; L1424-L1469 HydrophobicContact CD1-CD1 4.46Å |
| 1425 | P | 95.7 | Very high | 94.4 | Very high | 38 Ų | 38 | 33.4 Ų | 33.4 | 25% | 0.247 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 172 | -27.2 | 37.6 | 0 | 0 | 0 | 112.8 | G1420 L1427 G1428 A1430 | G1420-P1425 WeakPolarHBondContact O-CD 3.36Å; P1425-L1427 PolarHBondContact O-N 2.9Å; P1425-G1428 PolarHBondContact O-N 2.91Å; P1425-A1430 HydrophobicContact CB-CB 4.35Å; P1425-A1430 HydrophobicContact CG-CB 4.23Å |
| 1426 | S | 95.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 32 Ų | 32 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65 | -20.7 | 177.3 | 81.1 | 0 | 0 | 0 | 0 | 114.5 | V1422 W1423 L1424 R1490 S1504 N1505 | V1422-S1426 WeakPolarHBondContact O-CB 3.39Å; V1422-S1426 PolarHBondContact O-N 3Å; V1422-S1426 VanDerWaalsContact O-N 3.11Å; W1423-S1426 CarbonylContact O-C 3.56Å; W1423-S1426 WeakPolarHBondContact O-CA 3.44Å; W1423-S1426 WeakPolarHBondContact O-CB 3.38Å; W1423-S1426 PolarHBondContact O-N 3.15Å; W1423-S1426 PolarHBondContact O-OG 3.47Å; L1424-S1426 VanDerWaalsContact C-N 3.32Å; L1424-S1426 PolarHBondContact O-N 3.38Å; S1426-R1490 VanDerWaalsContact CB-NH1 3.33Å; S1426-R1490 PolarHBondContact OG-NH1 3.5Å; S1426-R1490 PolarHBondContact OG-NH2 2.81Å; S1426-S1504 CarbonylContact O-C 3.54Å; S1426-S1504 WeakPolarHBondContact O-CA 3.42Å; S1426-S1504 WeakPolarHBondContact O-CB 3.43Å; S1426-N1505 PolarHBondContact O-N 3.11Å |
| 1427 | L | 96.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.8 | 170.7 | -58.1 | -177.1 | 0 | 0 | 0 | 113.1 | W1423 L1424 P1425 L1429 L1469 G1528 H1530 | W1423-L1427 HydrophobicContact CD2-CD1 4.16Å; W1423-L1427 HydrophobicContact CE3-CD1 4.21Å; W1423-L1427 HydrophobicContact CH2-CD1 3.85Å; W1423-L1427 HydrophobicContact CZ2-CD1 3.78Å; W1423-L1427 HydrophobicContact CZ3-CD1 4.06Å; W1423-L1427 PolarHBondContact O-N 2.83Å; L1424-L1427 PolarHBondContact O-N 3.27Å; P1425-L1427 PolarHBondContact O-N 2.9Å; L1427-L1429 HydrophobicContact CB-CB 4.49Å; L1427-L1429 HydrophobicContact CB-CD1 4.19Å; L1427-L1429 HydrophobicContact CB-CG 4.17Å; L1427-L1429 HydrophobicContact CD1-CD1 4.29Å; L1427-L1469 HydrophobicContact CD1-CD1 4.23Å; L1427-G1528 CarbonylContact O-C 3.57Å; L1427-G1528 VanDerWaalsContact O-CA 3.3Å; L1427-G1528 WeakPolarHBondContact O-CA 3.33Å; L1427-G1528 VanDerWaalsContact O-O 3.14Å; L1427-H1530 PolarHBondContact O-ND1 3.28Å |
| 1428 | G | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 31.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1424 P1425 D1526 S1527 G1528 | L1424-G1428 PolarHBondContact O-N 3.29Å; P1425-G1428 PolarHBondContact O-N 2.91Å; G1428-D1526 CarbonylContact O-C 3.56Å; G1428-D1526 WeakPolarHBondContact O-CA 3.39Å; G1428-S1527 PolarHBondContact O-N 2.92Å; G1428-G1528 PolarHBondContact O-N 3.37Å |
| 1429 | L | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -121.9 | 30.8 | -176.7 | -66.3 | -179.6 | 0 | 0 | 0 | 112.7 | L1424 L1427 R1431 Y1432 M1460 H1465 L1469 | L1424-L1429 HydrophobicContact CG-CB 4.16Å; L1424-L1429 PolarHBondContact O-N 3.47Å; L1427-L1429 HydrophobicContact CB-CB 4.49Å; L1427-L1429 HydrophobicContact CB-CD1 4.19Å; L1427-L1429 HydrophobicContact CB-CG 4.17Å; L1427-L1429 HydrophobicContact CD1-CD1 4.29Å; L1429-R1431 PolarHBondContact O-N 2.81Å; L1429-Y1432 HydrophobicContact CB-CD2 4.31Å; L1429-Y1432 HydrophobicContact CD2-CD2 4.3Å; L1429-Y1432 HydrophobicContact CD2-CE2 4.27Å; L1429-Y1432 PolarHBondContact O-N 3.22Å; L1429-Y1432 VanDerWaalsContact O-N 3.13Å; L1429-M1460 HydrophobicContact CD1-CE 4.14Å; L1429-H1465 HydrophobicContact CD2-CB 3.83Å; L1429-L1469 HydrophobicContact CD1-CB 4.15Å; L1429-L1469 HydrophobicContact CD1-CD1 4.49Å | ||
| 1430 | A | 94.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 34.5 Ų | 34.5 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -58.4 | -32 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1425 Y1432 R1433 D1526 | P1425-A1430 HydrophobicContact CB-CB 4.35Å; P1425-A1430 HydrophobicContact CG-CB 4.23Å; A1430-Y1432 PolarHBondContact O-N 3.41Å; A1430-R1433 WeakPolarHBondContact O-CB 3.42Å; A1430-R1433 PolarHBondContact O-N 2.94Å; A1430-D1526 WeakPolarHBondContact CA-OD1 3.15Å; A1430-D1526 WeakPolarHBondContact CB-OD1 3.28Å; A1430-D1526 PolarHBondContact N-OD1 3.31Å |
| 1431 | R | 93.5 | Very high | 95.3 | Very high | 133 Ų | 133 | 34.5 Ų | 34.5 | 50% | 0.502 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -51.5 | -28.1 | 174.8 | 65.4 | 167.9 | 84.7 | -139.1 | 8.4 | 114 | L1429 D1526 | L1429-R1431 PolarHBondContact O-N 2.81Å; R1431-D1526 HydrophobicContact CB-CB 4.49Å; R1431-D1526 HydrophobicContact CG-CB 4.5Å; R1431-D1526 PolarHBondContact N-OD1 3.41Å; R1431-D1526 PolarHBondContact NE-O 3.49Å; R1431-D1526 PolarHBondContact NH2-O 3.03Å |
| 1432 | Y | 96.8 | Very high | 95.3 | Very high | 25 Ų | 25 | 31.6 Ų | 31.6 | 10% | 0.098 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -91.9 | -7.8 | -179.2 | -62.5 | -64.1 | 0 | 0 | 0 | 114.1 | L1429 A1430 S1434 S1435 F1436 K1459 M1460 H1465 | L1429-Y1432 HydrophobicContact CB-CD2 4.31Å; L1429-Y1432 HydrophobicContact CD2-CD2 4.3Å; L1429-Y1432 HydrophobicContact CD2-CE2 4.27Å; L1429-Y1432 PolarHBondContact O-N 3.22Å; L1429-Y1432 VanDerWaalsContact O-N 3.13Å; A1430-Y1432 PolarHBondContact O-N 3.41Å; Y1432-S1434 VanDerWaalsContact C-N 3.25Å; Y1432-S1434 PolarHBondContact O-N 2.72Å; Y1432-S1434 VanDerWaalsContact O-N 3.13Å; Y1432-S1435 PolarHBondContact O-N 3.05Å; Y1432-F1436 WeakPolarHBondContact O-CD2 3.17Å; Y1432-F1436 PolarHBondContact O-N 2.88Å; Y1432-F1436 VanDerWaalsContact O-N 3.14Å; Y1432-K1459 WeakPolarHBondContact CE1-O 3.26Å; Y1432-M1460 HydrophobicContact CD1-CG 3.65Å; Y1432-M1460 HydrophobicContact CD2-CE 3.87Å; Y1432-M1460 HydrophobicContact CD2-CG 4.03Å; Y1432-M1460 HydrophobicContact CD2-SD 4.35Å; Y1432-M1460 HydrophobicContact CE1-CB 4.29Å; Y1432-M1460 HydrophobicContact CE1-CG 3.74Å; Y1432-M1460 HydrophobicContact CE2-CE 3.9Å; Y1432-M1460 HydrophobicContact CE2-CG 4.09Å; Y1432-M1460 HydrophobicContact CG-CE 4.49Å; Y1432-M1460 HydrophobicContact CG-CG 3.82Å; Y1432-M1460 HydrophobicContact CG-SD 4.39Å; Y1432-H1465 HydrophobicContact CE2-CB 3.83Å; Y1432-H1465 AromaticContact CE2-CG 3.82Å; Y1432-H1465 AromaticContact CE2-ND1 3.68Å; Y1432-H1465 AromaticContact CZ-ND1 3.83Å; Y1432-H1465 PolarHBondContact OH-ND1 3.21Å; Y1432-H1465 VanDerWaalsContact OH-ND1 3.08Å |
| 1433 | R | 96.3 | Very high | 95.2 | Very high | 100 Ų | 100 | 29.1 Ų | 29.1 | 38% | 0.377 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -48.1 | -45.5 | -177.2 | 168.3 | 179.2 | 174.3 | -74.4 | -3.7 | 112.9 | G1420 N1421 A1430 S1435 F1436 M1437 | G1420-R1433 VanDerWaalsContact O-CD 3.27Å; G1420-R1433 WeakPolarHBondContact O-CD 3.23Å; G1420-R1433 WeakPolarHBondContact O-CG 2.98Å; N1421-R1433 PolarHBondContact OD1-NE 2.8Å; N1421-R1433 PolarHBondContact OD1-NH2 3.49Å; A1430-R1433 WeakPolarHBondContact O-CB 3.42Å; A1430-R1433 PolarHBondContact O-N 2.94Å; R1433-S1435 VanDerWaalsContact C-N 3.33Å; R1433-S1435 PolarHBondContact O-N 3.34Å; R1433-F1436 PolarHBondContact O-N 2.88Å; R1433-M1437 HydrophobicContact CG-CG 4.4Å; R1433-M1437 HydrophobicContact CG-SD 3.96Å; R1433-M1437 VanDerWaalsContact CZ-SD 3.53Å; R1433-M1437 PolarHBondContact NH2-SD 2.84Å; R1433-M1437 VanDerWaalsContact NH2-SD 3.45Å; R1433-M1437 WeakPolarHBondContact O-CB 3.23Å; R1433-M1437 WeakPolarHBondContact O-CG 3.39Å; R1433-M1437 PolarHBondContact O-N 3.39Å |
| 1434 | S | 93.8 | Very high | 94.9 | Very high | 71 Ų | 71 | 29.8 Ų | 29.8 | 50% | 0.497 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.7 | -46.2 | -178.4 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | Y1432 E1438 | Y1432-S1434 VanDerWaalsContact C-N 3.25Å; Y1432-S1434 PolarHBondContact O-N 2.72Å; Y1432-S1434 VanDerWaalsContact O-N 3.13Å; S1434-E1438 WeakPolarHBondContact O-CB 3.31Å; S1434-E1438 PolarHBondContact O-N 3.44Å |
| 1435 | S | 95.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.028 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -78.2 | -33.2 | -175.4 | -53.6 | 0 | 0 | 0 | 0 | 112.1 | Y1432 R1433 C1439 L1458 K1459 | Y1432-S1435 PolarHBondContact O-N 3.05Å; R1433-S1435 VanDerWaalsContact C-N 3.33Å; R1433-S1435 PolarHBondContact O-N 3.34Å; S1435-C1439 VanDerWaalsContact O-CB 3.29Å; S1435-C1439 WeakPolarHBondContact O-CB 3.34Å; S1435-C1439 PolarHBondContact O-N 3.18Å; S1435-C1439 PolarHBondContact O-SG 3.21Å; S1435-C1439 VanDerWaalsContact O-SG 3.39Å; S1435-L1458 WeakPolarHBondContact O-CD2 3.47Å; S1435-K1459 WeakPolarHBondContact OG-CD 3.36Å; S1435-K1459 PolarHBondContact OG-NZ 3.39Å |
| 1436 | F | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 171.8 | -86.2 | -111.4 | 0 | 0 | 0 | 112.2 | I1419 L1424 Y1432 R1433 C1439 L1440 V1441 L1446 L1449 L1458 M1460 L1469 | I1419-F1436 HydrophobicContact CG2-CD1 3.85Å; L1424-F1436 HydrophobicContact CD1-CD1 3.89Å; L1424-F1436 HydrophobicContact CD1-CE1 3.9Å; L1424-F1436 HydrophobicContact CD1-CG 4.25Å; L1424-F1436 HydrophobicContact CD1-CZ 4.25Å; L1424-F1436 HydrophobicContact CD2-CB 4.13Å; L1424-F1436 HydrophobicContact CD2-CD1 4.27Å; L1424-F1436 HydrophobicContact CD2-CD2 3.69Å; L1424-F1436 HydrophobicContact CD2-CE2 4.13Å; L1424-F1436 HydrophobicContact CD2-CG 3.77Å; Y1432-F1436 WeakPolarHBondContact O-CD2 3.17Å; Y1432-F1436 PolarHBondContact O-N 2.88Å; Y1432-F1436 VanDerWaalsContact O-N 3.14Å; R1433-F1436 PolarHBondContact O-N 2.88Å; F1436-C1439 CarbonylContact O-C 3.54Å; F1436-L1440 PolarHBondContact O-N 2.85Å; F1436-L1440 VanDerWaalsContact O-N 3.14Å; F1436-V1441 HydrophobicContact CB-CB 4.45Å; F1436-V1441 HydrophobicContact CD1-CB 3.81Å; F1436-V1441 HydrophobicContact CD1-CG1 3.76Å; F1436-V1441 HydrophobicContact CD1-CG2 4.16Å; F1436-V1441 HydrophobicContact CE1-CG1 4.02Å; F1436-V1441 HydrophobicContact CG-CB 4.44Å; F1436-V1441 HydrophobicContact CG-CG2 4.49Å; F1436-V1441 PolarHBondContact O-N 3.02Å; F1436-L1446 HydrophobicContact CE1-CD2 4.31Å; F1436-L1449 HydrophobicContact CE1-CD1 4.32Å; F1436-L1458 HydrophobicContact CD2-CB 4.33Å; F1436-L1458 HydrophobicContact CD2-CD1 4.49Å; F1436-L1458 HydrophobicContact CD2-CD2 4.03Å; F1436-L1458 HydrophobicContact CE1-CD1 4.29Å; F1436-L1458 HydrophobicContact CE2-CB 3.94Å; F1436-L1458 HydrophobicContact CE2-CD1 4.02Å; F1436-L1458 HydrophobicContact CE2-CD2 4.32Å; F1436-L1458 HydrophobicContact CE2-CG 4.32Å; F1436-L1458 HydrophobicContact CG-CD2 4.31Å; F1436-L1458 HydrophobicContact CZ-CD1 3.91Å; F1436-M1460 HydrophobicContact CE2-CG 4.45Å; F1436-M1460 HydrophobicContact CE2-SD 3.73Å; F1436-M1460 HydrophobicContact CZ-SD 3.89Å; F1436-L1469 HydrophobicContact CZ-CD1 4.35Å; F1436-L1469 HydrophobicContact CZ-CD2 3.95Å |
| 1437 | M | 95.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 30.4 Ų | 30.4 | 22% | 0.217 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.8 | -40.8 | 175.6 | -69.1 | -172.7 | 71.8 | 0 | 0 | 112.4 | R1433 C1439 L1440 | R1433-M1437 HydrophobicContact CG-CG 4.4Å; R1433-M1437 HydrophobicContact CG-SD 3.96Å; R1433-M1437 VanDerWaalsContact CZ-SD 3.53Å; R1433-M1437 PolarHBondContact NH2-SD 2.84Å; R1433-M1437 VanDerWaalsContact NH2-SD 3.45Å; R1433-M1437 WeakPolarHBondContact O-CB 3.23Å; R1433-M1437 WeakPolarHBondContact O-CG 3.39Å; R1433-M1437 PolarHBondContact O-N 3.39Å; M1437-C1439 PolarHBondContact O-N 3.39Å; M1437-L1440 PolarHBondContact O-N 3.06Å |
| 1438 | E | 93.5 | Very high | 94 | Very high | 123 Ų | 123 | 35 Ų | 35 | 58% | 0.575 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -58.7 | -35.1 | 174.3 | -179.8 | 176.9 | -155.1 | 0 | 0 | 111.9 | H1365 S1434 K1459 | H1365-E1438 PolarHBondContact CE1-O 3.16Å; H1365-E1438 PolarHBondContact NE2-O 3.48Å; S1434-E1438 WeakPolarHBondContact O-CB 3.31Å; S1434-E1438 PolarHBondContact O-N 3.44Å; E1438-K1459 IonicContact OE2-NZ 3.89Å; E1438-K1459 PolarHBondContact OE2-NZ 3.08Å |
| 1439 | C | 95.7 | Very high | 93.9 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 9.3 | 175.7 | -64.3 | 0 | 0 | 0 | 0 | 114.6 | L1364 H1365 S1435 F1436 M1437 V1441 L1458 | L1364-C1439 HydrophobicContact CB-CB 4.15Å; L1364-C1439 HydrophobicContact CD1-CB 3.66Å; H1365-C1439 PolarHBondContact CD2-O 3.32Å; H1365-C1439 WeakPolarHBondContact NE2-CA 3.38Å; S1435-C1439 VanDerWaalsContact O-CB 3.29Å; S1435-C1439 WeakPolarHBondContact O-CB 3.34Å; S1435-C1439 PolarHBondContact O-N 3.18Å; S1435-C1439 PolarHBondContact O-SG 3.21Å; S1435-C1439 VanDerWaalsContact O-SG 3.39Å; F1436-C1439 CarbonylContact O-C 3.54Å; M1437-C1439 PolarHBondContact O-N 3.39Å; C1439-V1441 HydrophobicContact CB-CG2 3.99Å; C1439-V1441 PolarHBondContact O-N 3.32Å; C1439-V1441 VanDerWaalsContact O-N 3.12Å; C1439-L1458 HydrophobicContact CB-CD2 3.83Å |
| 1440 | L | 95.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 28.8 | 177.6 | -55.6 | 173.1 | 0 | 0 | 0 | 115.4 | P1329 Y1332 K1368 H1416 F1436 M1437 D1442 | P1329-L1440 HydrophobicContact CG-CD1 3.83Å; P1329-L1440 HydrophobicContact CG-CD2 3.82Å; P1329-L1440 HydrophobicContact CG-CG 4.47Å; Y1332-L1440 HydrophobicContact CD2-CD1 4.45Å; Y1332-L1440 HydrophobicContact CE2-CD1 4.21Å; K1368-L1440 HydrophobicContact CD-CB 3.67Å; K1368-L1440 HydrophobicContact CD-CD1 4.4Å; K1368-L1440 WeakPolarHBondContact CD-O 3.46Å; K1368-L1440 WeakPolarHBondContact CE-O 3.46Å; K1368-L1440 PolarHBondContact NZ-O 2.85Å; H1416-L1440 VanDerWaalsContact CB-C 3.42Å; H1416-L1440 WeakPolarHBondContact CB-O 3.26Å; F1436-L1440 PolarHBondContact O-N 2.85Å; F1436-L1440 VanDerWaalsContact O-N 3.14Å; M1437-L1440 PolarHBondContact O-N 3.06Å; L1440-D1442 PolarHBondContact O-N 2.91Å |
| 1441 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -64 | 112.9 | -173.8 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | H1416 I1419 F1436 C1439 M1445 L1446 L1449 L1458 | H1416-V1441 WeakPolarHBondContact CA-O 3.36Å; H1416-V1441 VanDerWaalsContact CB-O 3.31Å; H1416-V1441 WeakPolarHBondContact CB-O 3.4Å; I1419-V1441 WeakPolarHBondContact CB-O 3.14Å; I1419-V1441 WeakPolarHBondContact CG2-O 3.44Å; F1436-V1441 HydrophobicContact CB-CB 4.45Å; F1436-V1441 HydrophobicContact CD1-CB 3.81Å; F1436-V1441 HydrophobicContact CD1-CG1 3.76Å; F1436-V1441 HydrophobicContact CD1-CG2 4.16Å; F1436-V1441 HydrophobicContact CE1-CG1 4.02Å; F1436-V1441 HydrophobicContact CG-CB 4.44Å; F1436-V1441 HydrophobicContact CG-CG2 4.49Å; F1436-V1441 PolarHBondContact O-N 3.02Å; C1439-V1441 HydrophobicContact CB-CG2 3.99Å; C1439-V1441 PolarHBondContact O-N 3.32Å; C1439-V1441 VanDerWaalsContact O-N 3.12Å; V1441-M1445 HydrophobicContact CB-CE 4.46Å; V1441-M1445 HydrophobicContact CG1-CB 4.23Å; V1441-M1445 HydrophobicContact CG2-CE 4.15Å; V1441-L1446 HydrophobicContact CG1-CD2 4.11Å; V1441-L1449 HydrophobicContact CG1-CD1 4.11Å; V1441-L1458 HydrophobicContact CG2-CD1 4.23Å; V1441-L1458 HydrophobicContact CG2-CD2 3.8Å | ||
| 1442 | D | 93.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | trans | -103.7 | 175.1 | 171 | 69.7 | 38 | 0 | 0 | 0 | 112.3 | K1368 L1440 R1444 M1445 L1446 | K1368-D1442 IonicContact NZ-OD2 3.78Å; K1368-D1442 PolarHBondContact NZ-OD2 3.32Å; L1440-D1442 PolarHBondContact O-N 2.91Å; D1442-R1444 PolarHBondContact O-N 3.46Å; D1442-R1444 VanDerWaalsContact OD1-CB 3.28Å; D1442-R1444 WeakPolarHBondContact OD1-CB 3.24Å; D1442-R1444 PolarHBondContact OD1-N 2.76Å; D1442-R1444 IonicContact OD1-NE 2.72Å; D1442-R1444 PolarHBondContact OD1-NE 2.82Å; D1442-R1444 IonicContact OD2-CZ 3.77Å; D1442-R1444 IonicContact OD2-NE 2.74Å; D1442-R1444 PolarHBondContact OD2-NE 2.79Å; D1442-R1444 IonicContact OD2-NH2 3.67Å; D1442-R1444 PolarHBondContact OD2-NH2 3.47Å; D1442-M1445 WeakPolarHBondContact O-CB 3.33Å; D1442-M1445 PolarHBondContact O-N 2.94Å; D1442-M1445 VanDerWaalsContact O-N 3.08Å; D1442-M1445 PolarHBondContact OD1-N 3.37Å; D1442-L1446 PolarHBondContact O-N 3.44Å | ||
| 1443 | A | 91.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1409 L1414 I1419 L1446 Y1481 | L1409-A1443 HydrophobicContact CD2-CB 3.54Å; L1414-A1443 HydrophobicContact CB-CB 3.56Å; L1414-A1443 HydrophobicContact CD1-CB 3.77Å; L1414-A1443 HydrophobicContact CG-CB 4.34Å; L1414-A1443 PolarHBondContact O-N 3.44Å; I1419-A1443 HydrophobicContact CD1-CB 4.23Å; A1443-L1446 HydrophobicContact CB-CD1 4.4Å; A1443-Y1481 HydrophobicContact CB-CD1 4.08Å; A1443-Y1481 HydrophobicContact CB-CE1 4.39Å |
| 1444 | R | 89.8 | Confident | 93 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 6% | 0.064 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -37.2 | 175.9 | -59.8 | 171.3 | -72.1 | -139 | -10.9 | 110.9 | E1375 L1409 D1442 L1446 S1447 H1448 | E1375-R1444 WeakPolarHBondContact OE2-CD 3.46Å; E1375-R1444 IonicContact OE2-CZ 3.02Å; E1375-R1444 IonicContact OE2-NE 3.95Å; E1375-R1444 IonicContact OE2-NH1 3.74Å; E1375-R1444 PolarHBondContact OE2-NH1 3.26Å; L1409-R1444 HydrophobicContact CB-CG 3.82Å; L1409-R1444 HydrophobicContact CD1-CG 4.11Å; L1409-R1444 HydrophobicContact CD2-CG 3.97Å; L1409-R1444 HydrophobicContact CG-CG 4.17Å; L1409-R1444 PolarHBondContact O-NH1 2.9Å; D1442-R1444 PolarHBondContact O-N 3.46Å; D1442-R1444 VanDerWaalsContact OD1-CB 3.28Å; D1442-R1444 WeakPolarHBondContact OD1-CB 3.24Å; D1442-R1444 PolarHBondContact OD1-N 2.76Å; D1442-R1444 IonicContact OD1-NE 2.72Å; D1442-R1444 PolarHBondContact OD1-NE 2.82Å; D1442-R1444 IonicContact OD2-CZ 3.77Å; D1442-R1444 IonicContact OD2-NE 2.74Å; D1442-R1444 PolarHBondContact OD2-NE 2.79Å; D1442-R1444 IonicContact OD2-NH2 3.67Å; D1442-R1444 PolarHBondContact OD2-NH2 3.47Å; R1444-L1446 VanDerWaalsContact C-N 3.29Å; R1444-L1446 PolarHBondContact O-N 3.28Å; R1444-S1447 PolarHBondContact O-OG 2.95Å; R1444-H1448 PolarHBondContact O-CD2 3.47Å |
| 1445 | M | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -69.2 | -27.9 | -179.8 | -64.4 | 168.5 | 63.6 | 0 | 0 | 112.5 | L1364 K1368 L1371 V1441 D1442 S1447 H1448 L1449 | L1364-M1445 HydrophobicContact CB-CE 3.91Å; L1364-M1445 HydrophobicContact CD2-CE 4.24Å; L1364-M1445 WeakPolarHBondContact O-CE 3.22Å; K1368-M1445 HydrophobicContact CB-CE 4.24Å; K1368-M1445 HydrophobicContact CB-CG 4.45Å; K1368-M1445 HydrophobicContact CB-SD 3.5Å; K1368-M1445 WeakPolarHBondContact CB-SD 3.48Å; K1368-M1445 HydrophobicContact CD-SD 4.29Å; K1368-M1445 HydrophobicContact CG-SD 3.74Å; L1371-M1445 HydrophobicContact CD1-CB 4.5Å; L1371-M1445 HydrophobicContact CD1-CG 4.06Å; V1441-M1445 HydrophobicContact CB-CE 4.46Å; V1441-M1445 HydrophobicContact CG1-CB 4.23Å; V1441-M1445 HydrophobicContact CG2-CE 4.15Å; D1442-M1445 WeakPolarHBondContact O-CB 3.33Å; D1442-M1445 PolarHBondContact O-N 2.94Å; D1442-M1445 VanDerWaalsContact O-N 3.08Å; D1442-M1445 PolarHBondContact OD1-N 3.37Å; M1445-S1447 VanDerWaalsContact C-N 3.27Å; M1445-S1447 PolarHBondContact O-N 2.6Å; M1445-H1448 CarbonylContact O-C 3.54Å; M1445-H1448 WeakPolarHBondContact O-CA 3.4Å; M1445-H1448 PolarHBondContact O-N 3.21Å; M1445-L1449 WeakPolarHBondContact O-CG 3.38Å; M1445-L1449 PolarHBondContact O-N 3.3Å |
| 1446 | L | 93.2 | Very high | 92.7 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -54.1 | -38.6 | -174.4 | -67.9 | 177 | 0 | 0 | 0 | 113.9 | I1419 W1423 F1436 V1441 D1442 A1443 R1444 H1448 L1449 I1473 L1476 | I1419-L1446 HydrophobicContact CD1-CD1 3.85Å; W1423-L1446 HydrophobicContact CE3-CD1 4.49Å; W1423-L1446 HydrophobicContact CH2-CD1 3.56Å; W1423-L1446 HydrophobicContact CH2-CD2 4.02Å; W1423-L1446 HydrophobicContact CH2-CG 4.44Å; W1423-L1446 HydrophobicContact CZ2-CD1 4.09Å; W1423-L1446 HydrophobicContact CZ3-CD1 3.8Å; W1423-L1446 HydrophobicContact CZ3-CD2 3.79Å; W1423-L1446 HydrophobicContact CZ3-CG 4.48Å; F1436-L1446 HydrophobicContact CE1-CD2 4.31Å; V1441-L1446 HydrophobicContact CG1-CD2 4.11Å; D1442-L1446 PolarHBondContact O-N 3.44Å; A1443-L1446 HydrophobicContact CB-CD1 4.4Å; R1444-L1446 VanDerWaalsContact C-N 3.29Å; R1444-L1446 PolarHBondContact O-N 3.28Å; L1446-H1448 PolarHBondContact O-N 2.87Å; L1446-L1449 HydrophobicContact CD2-CD1 4.17Å; L1446-I1473 HydrophobicContact CB-CD1 4.03Å; L1446-I1473 HydrophobicContact CB-CG1 4.06Å; L1446-I1473 HydrophobicContact CD1-CG1 4.26Å; L1446-I1473 HydrophobicContact CD2-CD1 4.45Å; L1446-L1476 HydrophobicContact CD1-CD1 3.68Å |
| 1447 | S | 86.3 | Confident | 92.5 | Very high | 55 Ų | 55 | 46.4 Ų | 46.4 | 39% | 0.385 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -74.7 | -8.3 | 177.8 | 43.3 | 0 | 0 | 0 | 0 | 114.5 | R1444 M1445 | R1444-S1447 PolarHBondContact O-OG 2.95Å; M1445-S1447 VanDerWaalsContact C-N 3.27Å; M1445-S1447 PolarHBondContact O-N 2.6Å |
| 1448 | H | 91 | Very high | 92.5 | Very high | 97 Ų | 97 | 44.3 Ų | 44.3 | 45% | 0.449 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -118.6 | 1.7 | -177 | -58 | -89.4 | 0 | 0 | 0 | 113.2 | L1367 L1371 R1444 M1445 L1446 T1450 | L1367-H1448 HydrophobicContact CD1-CB 4.43Å; L1367-H1448 HydrophobicContact CD2-CB 4.21Å; L1371-H1448 HydrophobicContact CD1-CB 4.38Å; R1444-H1448 PolarHBondContact O-CD2 3.47Å; M1445-H1448 CarbonylContact O-C 3.54Å; M1445-H1448 WeakPolarHBondContact O-CA 3.4Å; M1445-H1448 PolarHBondContact O-N 3.21Å; L1446-H1448 PolarHBondContact O-N 2.87Å; H1448-T1450 PolarHBondContact O-N 2.97Å |
| 1449 | L | 93.6 | Very high | 92.5 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | trans | -70.9 | 116.9 | 175.7 | -65.4 | 179.4 | 0 | 0 | 0 | 110.6 | L1364 F1436 V1441 M1445 L1446 D1453 L1454 L1458 | L1364-L1449 HydrophobicContact CD2-CD2 3.82Å; F1436-L1449 HydrophobicContact CE1-CD1 4.32Å; V1441-L1449 HydrophobicContact CG1-CD1 4.11Å; M1445-L1449 WeakPolarHBondContact O-CG 3.38Å; M1445-L1449 PolarHBondContact O-N 3.3Å; L1446-L1449 HydrophobicContact CD2-CD1 4.17Å; L1449-D1453 HydrophobicContact CD2-CB 4.44Å; L1449-L1454 HydrophobicContact CB-CD2 4.38Å; L1449-L1454 HydrophobicContact CB-CG 4.4Å; L1449-L1454 HydrophobicContact CD1-CD2 4.16Å; L1449-L1458 HydrophobicContact CD1-CD1 3.73Å; L1449-L1458 HydrophobicContact CD2-CD1 3.95Å; L1449-L1458 HydrophobicContact CG-CD1 4.42Å | ||
| 1450 | T | 90.9 | Very high | 92.4 | Very high | 70 Ų | 70 | 43.2 Ų | 43.2 | 43% | 0.429 | 20% | 0.203 | S | C | . | . | trans | -79.1 | 165 | 178.6 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | H1448 R1452 D1453 L1454 | H1448-T1450 PolarHBondContact O-N 2.97Å; T1450-R1452 PolarHBondContact O-N 2.85Å; T1450-R1452 VanDerWaalsContact O-N 3.13Å; T1450-R1452 WeakPolarHBondContact OG1-CB 3.34Å; T1450-R1452 PolarHBondContact OG1-N 3.17Å; T1450-D1453 VanDerWaalsContact CB-OD2 3.3Å; T1450-D1453 WeakPolarHBondContact CB-OD2 3.15Å; T1450-D1453 WeakPolarHBondContact CG2-OD2 3.39Å; T1450-D1453 PolarHBondContact N-OD2 3.07Å; T1450-D1453 PolarHBondContact O-N 3.25Å; T1450-D1453 VanDerWaalsContact O-N 3.13Å; T1450-D1453 VanDerWaalsContact OG1-CG 3.26Å; T1450-D1453 PolarHBondContact OG1-N 3.13Å; T1450-D1453 PolarHBondContact OG1-OD2 2.98Å; T1450-L1454 WeakPolarHBondContact O-CG 3.36Å; T1450-L1454 PolarHBondContact O-N 3.29Å | ||
| 1451 | K | 89.2 | Confident | 92.3 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.5 | -19.7 | 167.4 | -173.5 | 178.9 | 176.8 | -176.9 | 0 | 112.6 | R1455 | K1451-R1455 WeakPolarHBondContact O-CG 3.26Å; K1451-R1455 PolarHBondContact O-NE 3.16Å |
| 1452 | R | 88.8 | Confident | 92.1 | Very high | 123 Ų | 123 | 51.4 Ų | 51.4 | 46% | 0.464 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -78.5 | -49.3 | 172.4 | -169.5 | -176.9 | -176.2 | 101 | -3.2 | 110.8 | T1450 L1454 R1455 I1456 E1610 | T1450-R1452 PolarHBondContact O-N 2.85Å; T1450-R1452 VanDerWaalsContact O-N 3.13Å; T1450-R1452 WeakPolarHBondContact OG1-CB 3.34Å; T1450-R1452 PolarHBondContact OG1-N 3.17Å; R1452-L1454 PolarHBondContact O-N 3.25Å; R1452-R1455 PolarHBondContact O-N 2.99Å; R1452-I1456 HydrophobicContact CG-CD1 3.68Å; R1452-I1456 HydrophobicContact CG-CG1 4.35Å; R1452-I1456 WeakPolarHBondContact O-CB 3.48Å; R1452-I1456 PolarHBondContact O-N 2.9Å; R1452-E1610 WeakPolarHBondContact CD-OE1 3.26Å; R1452-E1610 IonicContact CZ-OE1 3.44Å; R1452-E1610 IonicContact NE-OE1 3.17Å; R1452-E1610 IonicContact NH1-OE1 2.71Å; R1452-E1610 PolarHBondContact NH1-OE1 2.88Å |
| 1453 | D | 95.3 | Very high | 91.9 | Very high | 20 Ų | 20 | 58.4 Ų | 58.4 | 11% | 0.107 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 178.3 | -59.5 | -58.1 | 0 | 0 | 0 | 112.2 | L1364 L1449 T1450 R1455 H1457 L1458 | L1364-D1453 HydrophobicContact CD2-CB 4.19Å; L1449-D1453 HydrophobicContact CD2-CB 4.44Å; T1450-D1453 VanDerWaalsContact CB-OD2 3.3Å; T1450-D1453 WeakPolarHBondContact CB-OD2 3.15Å; T1450-D1453 WeakPolarHBondContact CG2-OD2 3.39Å; T1450-D1453 PolarHBondContact N-OD2 3.07Å; T1450-D1453 PolarHBondContact O-N 3.25Å; T1450-D1453 VanDerWaalsContact O-N 3.13Å; T1450-D1453 VanDerWaalsContact OG1-CG 3.26Å; T1450-D1453 PolarHBondContact OG1-N 3.13Å; T1450-D1453 PolarHBondContact OG1-OD2 2.98Å; D1453-R1455 VanDerWaalsContact C-N 3.3Å; D1453-R1455 PolarHBondContact O-N 3.21Å; D1453-H1457 PolarHBondContact O-N 3.15Å; D1453-H1457 IonicContact OD1-CD2 2.65Å; D1453-L1458 PolarHBondContact O-N 2.92Å |
| 1454 | L | 94.9 | Very high | 92 | Very high | 21 Ų | 21 | 61 Ų | 61 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -42.8 | 178.4 | -70.2 | 171.7 | 0 | 0 | 0 | 111.6 | L1449 T1450 R1452 L1458 K1459 M1460 R1466 L1469 | L1449-L1454 HydrophobicContact CB-CD2 4.38Å; L1449-L1454 HydrophobicContact CB-CG 4.4Å; L1449-L1454 HydrophobicContact CD1-CD2 4.16Å; T1450-L1454 WeakPolarHBondContact O-CG 3.36Å; T1450-L1454 PolarHBondContact O-N 3.29Å; R1452-L1454 PolarHBondContact O-N 3.25Å; L1454-L1458 HydrophobicContact CD2-CD1 4.16Å; L1454-L1458 CarbonylContact O-C 3.59Å; L1454-K1459 PolarHBondContact O-N 2.99Å; L1454-K1459 VanDerWaalsContact O-N 3.16Å; L1454-M1460 HydrophobicContact CB-CB 4.48Å; L1454-M1460 HydrophobicContact CD2-SD 3.96Å; L1454-M1460 WeakPolarHBondContact O-CA 3.4Å; L1454-M1460 WeakPolarHBondContact O-CB 3.4Å; L1454-M1460 PolarHBondContact O-N 2.65Å; L1454-R1466 HydrophobicContact CB-CG 4.46Å; L1454-R1466 HydrophobicContact CD1-CG 4.27Å; L1454-L1469 HydrophobicContact CD2-CD2 3.48Å; L1454-L1469 VanDerWaalsContact CD2-CD2 3.48Å |
| 1455 | R | 92.8 | Very high | 92.3 | Very high | 106 Ų | 106 | 60.7 Ų | 60.7 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -78.2 | -49.4 | -179.6 | -71.4 | -176.8 | -66.6 | 164.7 | 1.4 | 113.2 | K1451 R1452 D1453 K1459 | K1451-R1455 WeakPolarHBondContact O-CG 3.26Å; K1451-R1455 PolarHBondContact O-NE 3.16Å; R1452-R1455 PolarHBondContact O-N 2.99Å; D1453-R1455 VanDerWaalsContact C-N 3.3Å; D1453-R1455 PolarHBondContact O-N 3.21Å; R1455-K1459 WeakPolarHBondContact O-CA 3.29Å |
| 1456 | I | 89.6 | Confident | 92.3 | Very high | 96 Ų | 96 | 62.7 Ų | 62.7 | 49% | 0.492 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -86.5 | -50.9 | -168.6 | -59.3 | -176.2 | 0 | 0 | 0 | 111.6 | R1452 | R1452-I1456 HydrophobicContact CG-CD1 3.68Å; R1452-I1456 HydrophobicContact CG-CG1 4.35Å; R1452-I1456 WeakPolarHBondContact O-CB 3.48Å; R1452-I1456 PolarHBondContact O-N 2.9Å |
| 1457 | H | 91.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 27% | 0.269 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -39.3 | -174.4 | -65.3 | -57.4 | 0 | 0 | 0 | 112.2 | P1363 L1364 D1453 | P1363-H1457 WeakPolarHBondContact CG-NE2 3.35Å; L1364-H1457 HydrophobicContact CD1-CB 3.67Å; L1364-H1457 HydrophobicContact CG-CB 4.49Å; D1453-H1457 PolarHBondContact O-N 3.15Å; D1453-H1457 IonicContact OD1-CD2 2.65Å |
| 1458 | L | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -101.5 | 0.3 | -175 | -56 | 173.9 | 0 | 0 | 0 | 114.1 | L1364 S1435 F1436 C1439 V1441 L1449 D1453 L1454 M1460 | L1364-L1458 HydrophobicContact CD1-CD1 4.38Å; L1364-L1458 HydrophobicContact CD1-CD2 4.05Å; L1364-L1458 HydrophobicContact CD1-CG 4.1Å; S1435-L1458 WeakPolarHBondContact O-CD2 3.47Å; F1436-L1458 HydrophobicContact CD2-CB 4.33Å; F1436-L1458 HydrophobicContact CD2-CD1 4.49Å; F1436-L1458 HydrophobicContact CD2-CD2 4.03Å; F1436-L1458 HydrophobicContact CE1-CD1 4.29Å; F1436-L1458 HydrophobicContact CE2-CB 3.94Å; F1436-L1458 HydrophobicContact CE2-CD1 4.02Å; F1436-L1458 HydrophobicContact CE2-CD2 4.32Å; F1436-L1458 HydrophobicContact CE2-CG 4.32Å; F1436-L1458 HydrophobicContact CG-CD2 4.31Å; F1436-L1458 HydrophobicContact CZ-CD1 3.91Å; C1439-L1458 HydrophobicContact CB-CD2 3.83Å; V1441-L1458 HydrophobicContact CG2-CD1 4.23Å; V1441-L1458 HydrophobicContact CG2-CD2 3.8Å; L1449-L1458 HydrophobicContact CD1-CD1 3.73Å; L1449-L1458 HydrophobicContact CD2-CD1 3.95Å; L1449-L1458 HydrophobicContact CG-CD1 4.42Å; D1453-L1458 PolarHBondContact O-N 2.92Å; L1454-L1458 HydrophobicContact CD2-CD1 4.16Å; L1454-L1458 CarbonylContact O-C 3.59Å; L1458-M1460 PolarHBondContact O-N 3.03Å; L1458-M1460 VanDerWaalsContact O-N 3.13Å |
| 1459 | K | 93.6 | Very high | 93 | Very high | 105 Ų | 105 | 58.2 Ų | 58.2 | 46% | 0.457 | 28% | 0.277 | S | S | . | . | trans | 62.8 | 15.6 | 170.2 | -51 | 172.3 | -166 | 133.4 | 0 | 114.8 | Y1432 S1435 E1438 L1454 R1455 V1461 | Y1432-K1459 WeakPolarHBondContact CE1-O 3.26Å; S1435-K1459 WeakPolarHBondContact OG-CD 3.36Å; S1435-K1459 PolarHBondContact OG-NZ 3.39Å; E1438-K1459 IonicContact OE2-NZ 3.89Å; E1438-K1459 PolarHBondContact OE2-NZ 3.08Å; L1454-K1459 PolarHBondContact O-N 2.99Å; L1454-K1459 VanDerWaalsContact O-N 3.16Å; R1455-K1459 WeakPolarHBondContact O-CA 3.29Å; K1459-V1461 VanDerWaalsContact C-N 3.27Å; K1459-V1461 PolarHBondContact O-N 3.03Å | ||
| 1460 | M | 94.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -79.8 | 68.8 | 176 | -58.3 | -171.5 | 74.3 | 0 | 0 | 111.4 | L1429 Y1432 F1436 L1454 L1458 D1462 H1465 R1466 L1469 | L1429-M1460 HydrophobicContact CD1-CE 4.14Å; Y1432-M1460 HydrophobicContact CD1-CG 3.65Å; Y1432-M1460 HydrophobicContact CD2-CE 3.87Å; Y1432-M1460 HydrophobicContact CD2-CG 4.03Å; Y1432-M1460 HydrophobicContact CD2-SD 4.35Å; Y1432-M1460 HydrophobicContact CE1-CB 4.29Å; Y1432-M1460 HydrophobicContact CE1-CG 3.74Å; Y1432-M1460 HydrophobicContact CE2-CE 3.9Å; Y1432-M1460 HydrophobicContact CE2-CG 4.09Å; Y1432-M1460 HydrophobicContact CG-CE 4.49Å; Y1432-M1460 HydrophobicContact CG-CG 3.82Å; Y1432-M1460 HydrophobicContact CG-SD 4.39Å; F1436-M1460 HydrophobicContact CE2-CG 4.45Å; F1436-M1460 HydrophobicContact CE2-SD 3.73Å; F1436-M1460 HydrophobicContact CZ-SD 3.89Å; L1454-M1460 HydrophobicContact CB-CB 4.48Å; L1454-M1460 HydrophobicContact CD2-SD 3.96Å; L1454-M1460 WeakPolarHBondContact O-CA 3.4Å; L1454-M1460 WeakPolarHBondContact O-CB 3.4Å; L1454-M1460 PolarHBondContact O-N 2.65Å; L1458-M1460 PolarHBondContact O-N 3.03Å; L1458-M1460 VanDerWaalsContact O-N 3.13Å; M1460-D1462 VanDerWaalsContact C-N 3.33Å; M1460-H1465 HydrophobicContact CE-CB 3.81Å; M1460-H1465 WeakPolarHBondContact CE-O 3.28Å; M1460-R1466 HydrophobicContact CB-CG 4.12Å; M1460-R1466 PolarHBondContact O-NH1 2.9Å; M1460-L1469 HydrophobicContact CE-CB 4.12Å; M1460-L1469 HydrophobicContact CE-CD2 4.28Å; M1460-L1469 HydrophobicContact SD-CD2 3.83Å | ||
| 1461 | V | 91.3 | Very high | 93.3 | Very high | 112 Ų | 112 | 59.6 Ų | 59.6 | 68% | 0.679 | 27% | 0.273 | S | S | * | . | trans | -69.3 | -31.8 | 177 | -178.2 | 0 | 0 | 0 | 0 | 112 | K1459 R1466 | K1459-V1461 VanDerWaalsContact C-N 3.27Å; K1459-V1461 PolarHBondContact O-N 3.03Å; V1461-R1466 PolarHBondContact O-NH1 3.44Å | ||
| 1462 | D | 91.7 | Very high | 93.5 | Very high | 69 Ų | 69 | 54.8 Ų | 54.8 | 37% | 0.369 | 25% | 0.252 | S | S | . | . | trans | -64.3 | 137.2 | 176.7 | -166.3 | -46.6 | 0 | 0 | 0 | 112.3 | M1460 F1464 H1465 R1466 | M1460-D1462 VanDerWaalsContact C-N 3.33Å; D1462-F1464 WeakPolarHBondContact OD1-CA 3.19Å; D1462-F1464 WeakPolarHBondContact OD1-CB 3.42Å; D1462-F1464 PolarHBondContact OD1-N 2.83Å; D1462-H1465 HydrophobicContact CB-CB 4.08Å; D1462-H1465 VanDerWaalsContact CB-ND1 3.34Å; D1462-H1465 WeakPolarHBondContact CB-ND1 3.4Å; D1462-H1465 PolarHBondContact OD1-N 3.49Å; D1462-H1465 IonicContact OD2-CE1 3.74Å; D1462-H1465 PolarHBondContact OD2-CE1 2.76Å; D1462-H1465 IonicContact OD2-ND1 2.72Å; D1462-H1465 PolarHBondContact OD2-ND1 2.7Å; D1462-R1466 WeakPolarHBondContact O-CG 3.28Å; D1462-R1466 PolarHBondContact O-NH1 3.48Å; D1462-R1466 VanDerWaalsContact O-NH1 3.12Å | ||
| 1463 | Q | 90.9 | Very high | 93.8 | Very high | 150 Ų | 150 | 50 Ų | 50 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -78 | -38.9 | 177.5 | 179.3 | 160 | -35 | 0 | 0 | 113.1 | R1466 L1467 | Q1463-R1466 PolarHBondContact O-N 3.01Å; Q1463-L1467 PolarHBondContact O-N 2.97Å |
| 1464 | F | 92.9 | Very high | 93.5 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.4 | -41.5 | 179.7 | -172.8 | -109.1 | 0 | 0 | 0 | 110.9 | D1462 R1466 L1467 S1468 S1527 V1529 L1533 F1540 I1548 | D1462-F1464 WeakPolarHBondContact OD1-CA 3.19Å; D1462-F1464 WeakPolarHBondContact OD1-CB 3.42Å; D1462-F1464 PolarHBondContact OD1-N 2.83Å; F1464-R1466 VanDerWaalsContact C-N 3.3Å; F1464-R1466 PolarHBondContact O-N 2.86Å; F1464-L1467 PolarHBondContact O-N 2.77Å; F1464-S1468 WeakPolarHBondContact O-CB 3.39Å; F1464-S1468 PolarHBondContact O-N 3.2Å; F1464-S1527 WeakPolarHBondContact CD1-O 3.45Å; F1464-S1527 VanDerWaalsContact CE1-O 3.23Å; F1464-S1527 WeakPolarHBondContact CE1-O 3.48Å; F1464-V1529 HydrophobicContact CE1-CG2 4.17Å; F1464-V1529 HydrophobicContact CZ-CG2 4.19Å; F1464-L1533 HydrophobicContact CE1-CD2 4.41Å; F1464-L1533 HydrophobicContact CE2-CD2 4.17Å; F1464-L1533 HydrophobicContact CZ-CD2 3.65Å; F1464-F1540 HydrophobicContact CZ-CE2 4.49Å; F1464-I1548 HydrophobicContact CE1-CD1 3.91Å; F1464-I1548 HydrophobicContact CE2-CD1 4.07Å; F1464-I1548 HydrophobicContact CZ-CD1 3.4Å; F1464-I1548 VanDerWaalsContact CZ-CD1 3.4Å; F1464-I1548 HydrophobicContact CZ-CG1 4.41Å |
| 1465 | H | 96.2 | Very high | 93.3 | Very high | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -31.7 | 174.3 | -62.2 | 143.6 | 0 | 0 | 0 | 113.3 | L1429 Y1432 M1460 D1462 L1469 D1526 | L1429-H1465 HydrophobicContact CD2-CB 3.83Å; Y1432-H1465 HydrophobicContact CE2-CB 3.83Å; Y1432-H1465 AromaticContact CE2-CG 3.82Å; Y1432-H1465 AromaticContact CE2-ND1 3.68Å; Y1432-H1465 AromaticContact CZ-ND1 3.83Å; Y1432-H1465 PolarHBondContact OH-ND1 3.21Å; Y1432-H1465 VanDerWaalsContact OH-ND1 3.08Å; M1460-H1465 HydrophobicContact CE-CB 3.81Å; M1460-H1465 WeakPolarHBondContact CE-O 3.28Å; D1462-H1465 HydrophobicContact CB-CB 4.08Å; D1462-H1465 VanDerWaalsContact CB-ND1 3.34Å; D1462-H1465 WeakPolarHBondContact CB-ND1 3.4Å; D1462-H1465 PolarHBondContact OD1-N 3.49Å; D1462-H1465 IonicContact OD2-CE1 3.74Å; D1462-H1465 PolarHBondContact OD2-CE1 2.76Å; D1462-H1465 IonicContact OD2-ND1 2.72Å; D1462-H1465 PolarHBondContact OD2-ND1 2.7Å; H1465-L1469 WeakPolarHBondContact O-CB 3.48Å; H1465-L1469 PolarHBondContact O-N 2.99Å; H1465-D1526 PolarHBondContact NE2-O 3.37Å |
| 1466 | R | 95.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 45 Ų | 45 | 16% | 0.158 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.2 | -39.3 | 172.6 | -72.9 | -171.5 | -56.8 | -91.4 | -2.7 | 112.1 | L1454 M1460 V1461 D1462 Q1463 F1464 L1469 Y1470 | L1454-R1466 HydrophobicContact CB-CG 4.46Å; L1454-R1466 HydrophobicContact CD1-CG 4.27Å; M1460-R1466 HydrophobicContact CB-CG 4.12Å; M1460-R1466 PolarHBondContact O-NH1 2.9Å; V1461-R1466 PolarHBondContact O-NH1 3.44Å; D1462-R1466 WeakPolarHBondContact O-CG 3.28Å; D1462-R1466 PolarHBondContact O-NH1 3.48Å; D1462-R1466 VanDerWaalsContact O-NH1 3.12Å; Q1463-R1466 PolarHBondContact O-N 3.01Å; F1464-R1466 VanDerWaalsContact C-N 3.3Å; F1464-R1466 PolarHBondContact O-N 2.86Å; R1466-L1469 PolarHBondContact O-N 3.33Å; R1466-Y1470 WeakPolarHBondContact O-CB 3.37Å; R1466-Y1470 PolarHBondContact O-N 2.93Å |
| 1467 | L | 93.7 | Very high | 93.2 | Very high | 61 Ų | 61 | 45.9 Ų | 45.9 | 32% | 0.319 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 175.6 | -173.2 | 63.1 | 0 | 0 | 0 | 111.3 | Q1463 F1464 L1469 Y1470 Y1471 | Q1463-L1467 PolarHBondContact O-N 2.97Å; F1464-L1467 PolarHBondContact O-N 2.77Å; L1467-L1469 PolarHBondContact O-N 3.26Å; L1467-Y1470 WeakPolarHBondContact O-CB 3.37Å; L1467-Y1470 PolarHBondContact O-N 2.82Å; L1467-Y1471 HydrophobicContact CD1-CD2 4.07Å; L1467-Y1471 HydrophobicContact CD1-CE2 3.42Å; L1467-Y1471 VanDerWaalsContact CD1-CE2 3.42Å; L1467-Y1471 HydrophobicContact CD2-CE2 4.26Å; L1467-Y1471 HydrophobicContact CG-CD2 3.98Å; L1467-Y1471 HydrophobicContact CG-CE2 3.59Å; L1467-Y1471 VanDerWaalsContact O-CD2 3.27Å; L1467-Y1471 WeakPolarHBondContact O-CD2 3.38Å; L1467-Y1471 PolarHBondContact O-N 2.84Å |
| 1468 | S | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -52.9 | -51.2 | 168.9 | 162.8 | 0 | 0 | 0 | 0 | 111.9 | F1464 Y1470 Y1471 G1472 G1528 H1530 | F1464-S1468 WeakPolarHBondContact O-CB 3.39Å; F1464-S1468 PolarHBondContact O-N 3.2Å; S1468-Y1470 VanDerWaalsContact C-N 3.31Å; S1468-Y1470 PolarHBondContact O-N 2.81Å; S1468-Y1471 PolarHBondContact O-N 3.24Å; S1468-G1472 PolarHBondContact O-N 3.42Å; S1468-G1528 WeakPolarHBondContact CB-O 3.42Å; S1468-G1528 WeakPolarHBondContact OG-CA 3.36Å; S1468-G1528 PolarHBondContact OG-O 2.91Å; S1468-H1530 PolarHBondContact O-CE1 3.5Å; S1468-H1530 PolarHBondContact OG-CE1 2.9Å |
| 1469 | L | 96.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 178.3 | -177.9 | 70.4 | 0 | 0 | 0 | 111.6 | W1423 L1424 L1427 L1429 F1436 L1454 M1460 H1465 R1466 L1467 G1472 I1473 | W1423-L1469 HydrophobicContact CH2-CD1 3.62Å; W1423-L1469 HydrophobicContact CZ3-CD1 3.63Å; L1424-L1469 HydrophobicContact CD1-CD1 4.46Å; L1427-L1469 HydrophobicContact CD1-CD1 4.23Å; L1429-L1469 HydrophobicContact CD1-CB 4.15Å; L1429-L1469 HydrophobicContact CD1-CD1 4.49Å; F1436-L1469 HydrophobicContact CZ-CD1 4.35Å; F1436-L1469 HydrophobicContact CZ-CD2 3.95Å; L1454-L1469 HydrophobicContact CD2-CD2 3.48Å; L1454-L1469 VanDerWaalsContact CD2-CD2 3.48Å; M1460-L1469 HydrophobicContact CE-CB 4.12Å; M1460-L1469 HydrophobicContact CE-CD2 4.28Å; M1460-L1469 HydrophobicContact SD-CD2 3.83Å; H1465-L1469 WeakPolarHBondContact O-CB 3.48Å; H1465-L1469 PolarHBondContact O-N 2.99Å; R1466-L1469 PolarHBondContact O-N 3.33Å; L1467-L1469 PolarHBondContact O-N 3.26Å; L1469-G1472 PolarHBondContact O-N 2.87Å; L1469-I1473 HydrophobicContact CD2-CD1 4.48Å; L1469-I1473 HydrophobicContact CG-CD1 4.01Å; L1469-I1473 HydrophobicContact CG-CG1 4.5Å; L1469-I1473 VanDerWaalsContact O-CG1 3.29Å; L1469-I1473 WeakPolarHBondContact O-CG1 3.46Å; L1469-I1473 PolarHBondContact O-N 3.19Å |
| 1470 | Y | 94.1 | Very high | 91.8 | Very high | 93 Ų | 93 | 49.2 Ų | 49.2 | 37% | 0.365 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.2 | -49.3 | 177.7 | 172.3 | -96.6 | 0 | 0 | 0 | 112.2 | R1466 L1467 S1468 G1472 I1473 M1474 P1604 | R1466-Y1470 WeakPolarHBondContact O-CB 3.37Å; R1466-Y1470 PolarHBondContact O-N 2.93Å; L1467-Y1470 WeakPolarHBondContact O-CB 3.37Å; L1467-Y1470 PolarHBondContact O-N 2.82Å; S1468-Y1470 VanDerWaalsContact C-N 3.31Å; S1468-Y1470 PolarHBondContact O-N 2.81Å; Y1470-G1472 VanDerWaalsContact C-N 3.32Å; Y1470-G1472 PolarHBondContact O-N 3.32Å; Y1470-I1473 WeakPolarHBondContact O-CB 3.39Å; Y1470-I1473 PolarHBondContact O-N 2.96Å; Y1470-I1473 VanDerWaalsContact O-N 3.09Å; Y1470-M1474 HydrophobicContact CD1-CG 4.45Å; Y1470-M1474 HydrophobicContact CD1-SD 4.07Å; Y1470-M1474 HydrophobicContact CE1-CG 4.07Å; Y1470-M1474 HydrophobicContact CE1-SD 3.34Å; Y1470-M1474 WeakPolarHBondContact CE1-SD 3.23Å; Y1470-M1474 PolarHBondContact O-N 3.45Å; Y1470-P1604 VanDerWaalsContact OH-CG 3.31Å; Y1470-P1604 WeakPolarHBondContact OH-CG 3.38Å |
| 1471 | Y | 95.3 | Very high | 91.5 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 11% | 0.106 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68 | -30.7 | 176.3 | -68.4 | -59.9 | 0 | 0 | 0 | 113.2 | L1467 S1468 M1474 C1475 L1533 L1536 D1537 | L1467-Y1471 HydrophobicContact CD1-CD2 4.07Å; L1467-Y1471 HydrophobicContact CD1-CE2 3.42Å; L1467-Y1471 VanDerWaalsContact CD1-CE2 3.42Å; L1467-Y1471 HydrophobicContact CD2-CE2 4.26Å; L1467-Y1471 HydrophobicContact CG-CD2 3.98Å; L1467-Y1471 HydrophobicContact CG-CE2 3.59Å; L1467-Y1471 VanDerWaalsContact O-CD2 3.27Å; L1467-Y1471 WeakPolarHBondContact O-CD2 3.38Å; L1467-Y1471 PolarHBondContact O-N 2.84Å; S1468-Y1471 PolarHBondContact O-N 3.24Å; Y1471-M1474 HydrophobicContact CD1-SD 3.65Å; Y1471-M1474 HydrophobicContact CE1-SD 3.92Å; Y1471-M1474 PolarHBondContact O-N 2.77Å; Y1471-C1475 PolarHBondContact O-N 3.48Å; Y1471-L1533 HydrophobicContact CD2-CD1 3.52Å; Y1471-L1533 HydrophobicContact CE2-CD1 3.95Å; Y1471-L1536 HydrophobicContact CD1-CB 3.39Å; Y1471-L1536 HydrophobicContact CD1-CD1 4.02Å; Y1471-L1536 HydrophobicContact CD1-CG 4.35Å; Y1471-L1536 HydrophobicContact CE1-CB 3.65Å; Y1471-L1536 WeakPolarHBondContact CE1-O 3.27Å; Y1471-L1536 HydrophobicContact CG-CB 4.2Å; Y1471-D1537 HydrophobicContact CD2-CB 4.27Å; Y1471-D1537 HydrophobicContact CE2-CB 3.57Å |
| 1472 | G | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1468 L1469 Y1470 C1475 L1476 | S1468-G1472 PolarHBondContact O-N 3.42Å; L1469-G1472 PolarHBondContact O-N 2.87Å; Y1470-G1472 VanDerWaalsContact C-N 3.32Å; Y1470-G1472 PolarHBondContact O-N 3.32Å; G1472-C1475 WeakPolarHBondContact O-CB 3.46Å; G1472-C1475 PolarHBondContact O-N 3.35Å; G1472-L1476 PolarHBondContact O-N 2.97Å; G1472-L1476 VanDerWaalsContact O-N 3.14Å |
| 1473 | I | 93.5 | Very high | 90.9 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.108 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 175 | -64.3 | 165.4 | 0 | 0 | 0 | 110.7 | W1423 L1446 L1469 Y1470 C1475 L1476 K1477 | W1423-I1473 HydrophobicContact CH2-CG1 3.86Å; W1423-I1473 HydrophobicContact CZ2-CG1 4.35Å; L1446-I1473 HydrophobicContact CB-CD1 4.03Å; L1446-I1473 HydrophobicContact CB-CG1 4.06Å; L1446-I1473 HydrophobicContact CD1-CG1 4.26Å; L1446-I1473 HydrophobicContact CD2-CD1 4.45Å; L1469-I1473 HydrophobicContact CD2-CD1 4.48Å; L1469-I1473 HydrophobicContact CG-CD1 4.01Å; L1469-I1473 HydrophobicContact CG-CG1 4.5Å; L1469-I1473 VanDerWaalsContact O-CG1 3.29Å; L1469-I1473 WeakPolarHBondContact O-CG1 3.46Å; L1469-I1473 PolarHBondContact O-N 3.19Å; Y1470-I1473 WeakPolarHBondContact O-CB 3.39Å; Y1470-I1473 PolarHBondContact O-N 2.96Å; Y1470-I1473 VanDerWaalsContact O-N 3.09Å; I1473-C1475 VanDerWaalsContact C-N 3.28Å; I1473-C1475 PolarHBondContact O-N 2.88Å; I1473-L1476 PolarHBondContact O-N 2.84Å; I1473-K1477 HydrophobicContact CG2-CD 4.42Å; I1473-K1477 HydrophobicContact CG2-CG 4.48Å; I1473-K1477 WeakPolarHBondContact O-CG 3.49Å; I1473-K1477 PolarHBondContact O-N 2.94Å |
| 1474 | M | 89.1 | Confident | 90.6 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 17% | 0.172 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -37.3 | 172.6 | -68.6 | -172.9 | 79.4 | 0 | 0 | 112.1 | Y1470 Y1471 K1477 R1478 L1536 | Y1470-M1474 HydrophobicContact CD1-CG 4.45Å; Y1470-M1474 HydrophobicContact CD1-SD 4.07Å; Y1470-M1474 HydrophobicContact CE1-CG 4.07Å; Y1470-M1474 HydrophobicContact CE1-SD 3.34Å; Y1470-M1474 WeakPolarHBondContact CE1-SD 3.23Å; Y1470-M1474 PolarHBondContact O-N 3.45Å; Y1471-M1474 HydrophobicContact CD1-SD 3.65Å; Y1471-M1474 HydrophobicContact CE1-SD 3.92Å; Y1471-M1474 PolarHBondContact O-N 2.77Å; M1474-K1477 PolarHBondContact O-N 2.82Å; M1474-R1478 WeakPolarHBondContact O-CB 3.29Å; M1474-R1478 WeakPolarHBondContact O-CG 3.49Å; M1474-R1478 PolarHBondContact O-N 3.4Å; M1474-L1536 HydrophobicContact CB-CD1 3.82Å; M1474-L1536 HydrophobicContact SD-CD1 4.4Å |
| 1475 | C | 92 | Very high | 90.2 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 173.9 | -169.2 | 0 | 0 | 0 | 0 | 111.5 | Y1471 G1472 I1473 R1478 L1479 L1501 A1532 | Y1471-C1475 PolarHBondContact O-N 3.48Å; G1472-C1475 WeakPolarHBondContact O-CB 3.46Å; G1472-C1475 PolarHBondContact O-N 3.35Å; I1473-C1475 VanDerWaalsContact C-N 3.28Å; I1473-C1475 PolarHBondContact O-N 2.88Å; C1475-R1478 PolarHBondContact O-N 2.81Å; C1475-L1479 WeakPolarHBondContact O-CG 3.45Å; C1475-L1479 PolarHBondContact O-N 3.02Å; C1475-L1501 PolarHBondContact SG-O 3.44Å; C1475-L1501 VanDerWaalsContact SG-O 3.33Å; C1475-A1532 HydrophobicContact CB-CB 3.7Å |
| 1476 | L | 91.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 173.7 | -68.1 | -176.9 | 0 | 0 | 0 | 112.6 | W1418 W1423 L1446 G1472 I1473 R1478 L1479 D1480 Y1481 I1486 | W1418-L1476 HydrophobicContact CH2-CD2 4.1Å; W1418-L1476 HydrophobicContact CZ3-CD2 4.5Å; W1423-L1476 HydrophobicContact CD2-CD1 4.35Å; W1423-L1476 HydrophobicContact CH2-CD1 4.29Å; W1423-L1476 HydrophobicContact CZ2-CD1 3.49Å; W1423-L1476 VanDerWaalsContact CZ2-CD1 3.49Å; W1423-L1476 HydrophobicContact CZ2-CG 3.95Å; L1446-L1476 HydrophobicContact CD1-CD1 3.68Å; G1472-L1476 PolarHBondContact O-N 2.97Å; G1472-L1476 VanDerWaalsContact O-N 3.14Å; I1473-L1476 PolarHBondContact O-N 2.84Å; L1476-R1478 VanDerWaalsContact C-N 3.34Å; L1476-R1478 PolarHBondContact O-N 2.9Å; L1476-L1479 CarbonylContact O-C 3.58Å; L1476-L1479 PolarHBondContact O-N 3.27Å; L1476-L1479 VanDerWaalsContact O-N 3.1Å; L1476-D1480 PolarHBondContact O-N 3.47Å; L1476-Y1481 HydrophobicContact CB-CD1 3.83Å; L1476-Y1481 HydrophobicContact CB-CE1 3.88Å; L1476-Y1481 HydrophobicContact CB-CG 4.44Å; L1476-Y1481 HydrophobicContact CD1-CD1 4.13Å; L1476-Y1481 HydrophobicContact CD1-CE1 4.13Å; L1476-Y1481 PolarHBondContact O-N 3.44Å; L1476-I1486 HydrophobicContact CD2-CD1 3.95Å |
| 1477 | K | 87.6 | Confident | 89.5 | Confident | 114 Ų | 114 | 45.5 Ų | 45.5 | 50% | 0.496 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.8 | -37.6 | 177 | -74.7 | -175 | 173.6 | -169.6 | 0 | 112.7 | I1473 M1474 L1479 D1480 Y1481 | I1473-K1477 HydrophobicContact CG2-CD 4.42Å; I1473-K1477 HydrophobicContact CG2-CG 4.48Å; I1473-K1477 WeakPolarHBondContact O-CG 3.49Å; I1473-K1477 PolarHBondContact O-N 2.94Å; M1474-K1477 PolarHBondContact O-N 2.82Å; K1477-L1479 PolarHBondContact O-N 3.46Å; K1477-D1480 PolarHBondContact O-N 3.15Å; K1477-Y1481 WeakPolarHBondContact CE-OH 3.38Å; K1477-Y1481 HydrophobicContact CG-CE2 3.73Å; K1477-Y1481 WeakPolarHBondContact CG-OH 3.47Å |
| 1478 | R | 85 | Confident | 89.4 | Confident | 91 Ų | 91 | 48.6 Ų | 48.6 | 34% | 0.343 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -1.5 | 174.9 | -74.8 | -177.7 | 176.4 | -148.8 | 1.3 | 114.1 | M1474 C1475 L1476 L1536 | M1474-R1478 WeakPolarHBondContact O-CB 3.29Å; M1474-R1478 WeakPolarHBondContact O-CG 3.49Å; M1474-R1478 PolarHBondContact O-N 3.4Å; C1475-R1478 PolarHBondContact O-N 2.81Å; L1476-R1478 VanDerWaalsContact C-N 3.34Å; L1476-R1478 PolarHBondContact O-N 2.9Å; R1478-L1536 VanDerWaalsContact CZ-CD2 3.43Å |
| 1479 | L | 86.1 | Confident | 89.2 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 19.4 | 177.1 | -61.1 | 174.8 | 0 | 0 | 0 | 111.2 | C1475 L1476 K1477 Y1481 D1482 E1485 I1486 R1489 V1502 | C1475-L1479 WeakPolarHBondContact O-CG 3.45Å; C1475-L1479 PolarHBondContact O-N 3.02Å; L1476-L1479 CarbonylContact O-C 3.58Å; L1476-L1479 PolarHBondContact O-N 3.27Å; L1476-L1479 VanDerWaalsContact O-N 3.1Å; K1477-L1479 PolarHBondContact O-N 3.46Å; L1479-Y1481 PolarHBondContact O-N 2.88Å; L1479-D1482 PolarHBondContact O-N 3.5Å; L1479-E1485 HydrophobicContact CD2-CG 4.22Å; L1479-I1486 HydrophobicContact CD1-CB 3.72Å; L1479-I1486 HydrophobicContact CD1-CD1 4.07Å; L1479-I1486 HydrophobicContact CD1-CG1 3.83Å; L1479-R1489 VanDerWaalsContact CD2-NH1 3.25Å; L1479-V1502 HydrophobicContact CD1-CG1 4.18Å |
| 1480 | D | 81.9 | Confident | 88.9 | Confident | 133 Ų | 133 | 52.8 Ų | 52.8 | 71% | 0.711 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 26.1 | -179.1 | -60.3 | -44.2 | 0 | 0 | 0 | 115.1 | L1476 K1477 D1482 | L1476-D1480 PolarHBondContact O-N 3.47Å; K1477-D1480 PolarHBondContact O-N 3.15Å; D1480-D1482 PolarHBondContact O-N 3.35Å |
| 1481 | Y | 86.7 | Confident | 88.7 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 11% | 0.106 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 27.1 | -169.7 | -61.5 | -99 | 0 | 0 | 0 | 114 | P1408 L1409 L1414 A1443 L1476 K1477 L1479 R1483 | P1408-Y1481 WeakPolarHBondContact CB-O 3.4Å; L1409-Y1481 HydrophobicContact CD1-CD2 4.34Å; L1409-Y1481 HydrophobicContact CD1-CG 4.22Å; L1409-Y1481 HydrophobicContact CD2-CD1 4.01Å; L1409-Y1481 HydrophobicContact CD2-CG 4.13Å; L1409-Y1481 HydrophobicContact CG-CG 4.4Å; L1414-Y1481 HydrophobicContact CD1-CD1 4.31Å; L1414-Y1481 WeakPolarHBondContact CD1-O 3.5Å; A1443-Y1481 HydrophobicContact CB-CD1 4.08Å; A1443-Y1481 HydrophobicContact CB-CE1 4.39Å; L1476-Y1481 HydrophobicContact CB-CD1 3.83Å; L1476-Y1481 HydrophobicContact CB-CE1 3.88Å; L1476-Y1481 HydrophobicContact CB-CG 4.44Å; L1476-Y1481 HydrophobicContact CD1-CD1 4.13Å; L1476-Y1481 HydrophobicContact CD1-CE1 4.13Å; L1476-Y1481 PolarHBondContact O-N 3.44Å; K1477-Y1481 WeakPolarHBondContact CE-OH 3.38Å; K1477-Y1481 HydrophobicContact CG-CE2 3.73Å; K1477-Y1481 WeakPolarHBondContact CG-OH 3.47Å; L1479-Y1481 PolarHBondContact O-N 2.88Å; Y1481-R1483 PolarHBondContact O-N 3.22Å |
| 1482 | D | 84.8 | Confident | 88.3 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 31% | 0.31 | 28% | 0.275 | S | S | . | . | trans | -75.9 | 113.3 | 170.8 | -175.7 | -0.3 | 0 | 0 | 0 | 111 | P1408 L1479 D1480 S1484 E1485 I1486 | P1408-D1482 HydrophobicContact CG-CB 4.42Å; L1479-D1482 PolarHBondContact O-N 3.5Å; D1480-D1482 PolarHBondContact O-N 3.35Å; D1482-S1484 WeakPolarHBondContact OD1-CA 3.5Å; D1482-S1484 WeakPolarHBondContact OD1-CB 3.44Å; D1482-S1484 PolarHBondContact OD1-N 2.8Å; D1482-E1485 HydrophobicContact CB-CB 3.95Å; D1482-E1485 PolarHBondContact OD1-N 3.17Å; D1482-I1486 PolarHBondContact O-N 3.27Å | ||
| 1483 | R | 86.8 | Confident | 87.9 | Confident | 78 Ų | 78 | 57.3 Ų | 57.3 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 174.9 | -171.2 | 178.9 | 162.8 | 171.1 | -5.6 | 112.7 | E1413 L1414 W1418 Y1481 I1486 E1487 | E1413-R1483 WeakPolarHBondContact O-CD 3.2Å; E1413-R1483 PolarHBondContact O-NH1 3.41Å; E1413-R1483 VanDerWaalsContact O-NH1 3.13Å; L1414-R1483 HydrophobicContact CD2-CB 3.62Å; L1414-R1483 HydrophobicContact CD2-CG 3.77Å; L1414-R1483 HydrophobicContact CG-CB 4.32Å; W1418-R1483 HydrophobicContact CZ2-CG 4.32Å; Y1481-R1483 PolarHBondContact O-N 3.22Å; R1483-I1486 VanDerWaalsContact O-CG2 3.29Å; R1483-I1486 WeakPolarHBondContact O-CG2 3.35Å; R1483-E1487 IonicContact CZ-OE1 2.98Å; R1483-E1487 IonicContact NE-OE1 2.72Å; R1483-E1487 PolarHBondContact NE-OE1 2.82Å; R1483-E1487 IonicContact NE-OE2 3.17Å; R1483-E1487 IonicContact NH2-OE1 2.9Å; R1483-E1487 PolarHBondContact NH2-OE1 3.42Å; R1483-E1487 VanDerWaalsContact NH2-OE1 3.1Å; R1483-E1487 IonicContact NH2-OE2 3.05Å; R1483-E1487 WeakPolarHBondContact O-CB 3.49Å; R1483-E1487 WeakPolarHBondContact O-CG 3.42Å; R1483-E1487 PolarHBondContact O-N 3.16Å; R1483-E1487 VanDerWaalsContact O-N 3.08Å |
| 1484 | S | 84.9 | Confident | 87.4 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 53% | 0.531 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | -176.8 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | D1482 R1488 | D1482-S1484 WeakPolarHBondContact OD1-CA 3.5Å; D1482-S1484 WeakPolarHBondContact OD1-CB 3.44Å; D1482-S1484 PolarHBondContact OD1-N 2.8Å; S1484-R1488 WeakPolarHBondContact O-CB 3.4Å; S1484-R1488 PolarHBondContact O-N 3.29Å |
| 1485 | E | 84.8 | Confident | 86.8 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.1 | -41.7 | 178.9 | -178 | 62.6 | -177.5 | 0 | 0 | 112.6 | L1479 D1482 R1488 R1489 | L1479-E1485 HydrophobicContact CD2-CG 4.22Å; D1482-E1485 HydrophobicContact CB-CB 3.95Å; D1482-E1485 PolarHBondContact OD1-N 3.17Å; E1485-R1488 PolarHBondContact O-N 3.4Å; E1485-R1488 IonicContact OE1-CZ 3.4Å; E1485-R1488 IonicContact OE1-NE 2.7Å; E1485-R1488 IonicContact OE1-NH2 3.76Å; E1485-R1488 PolarHBondContact OE1-NH2 3.13Å; E1485-R1488 IonicContact OE2-CZ 3.46Å; E1485-R1488 IonicContact OE2-NE 3.4Å; E1485-R1488 PolarHBondContact OE2-NE 2.9Å; E1485-R1488 IonicContact OE2-NH2 2.72Å; E1485-R1488 PolarHBondContact OE2-NH2 3.03Å; E1485-R1489 HydrophobicContact CG-CG 4.35Å; E1485-R1489 WeakPolarHBondContact O-CB 3.45Å; E1485-R1489 VanDerWaalsContact O-CG 3.27Å; E1485-R1489 WeakPolarHBondContact O-CG 3.21Å; E1485-R1489 PolarHBondContact O-N 3.1Å; E1485-R1489 VanDerWaalsContact OE1-CD 3.26Å; E1485-R1489 WeakPolarHBondContact OE1-CD 3.49Å; E1485-R1489 WeakPolarHBondContact OE1-CG 3.37Å |
| 1486 | I | 87.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 175.5 | -168.1 | 170.2 | 0 | 0 | 0 | 112.2 | W1418 L1476 L1479 D1482 R1483 R1490 | W1418-I1486 HydrophobicContact CZ2-CG2 4.26Å; L1476-I1486 HydrophobicContact CD2-CD1 3.95Å; L1479-I1486 HydrophobicContact CD1-CB 3.72Å; L1479-I1486 HydrophobicContact CD1-CD1 4.07Å; L1479-I1486 HydrophobicContact CD1-CG1 3.83Å; D1482-I1486 PolarHBondContact O-N 3.27Å; R1483-I1486 VanDerWaalsContact O-CG2 3.29Å; R1483-I1486 WeakPolarHBondContact O-CG2 3.35Å; I1486-R1490 VanDerWaalsContact O-CB 3.29Å; I1486-R1490 WeakPolarHBondContact O-CB 3.34Å; I1486-R1490 WeakPolarHBondContact O-CD 3.43Å; I1486-R1490 WeakPolarHBondContact O-CG 3.3Å; I1486-R1490 PolarHBondContact O-N 3.02Å; I1486-R1490 VanDerWaalsContact O-N 3.1Å |
| 1487 | E | 88.6 | Confident | 85.8 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 175.6 | -71.4 | 175.2 | -175.9 | 0 | 0 | 110.2 | W1418 R1483 R1489 R1490 E1491 | W1418-E1487 PolarHBondContact NE1-OE1 2.93Å; W1418-E1487 VanDerWaalsContact NE1-OE1 3.1Å; R1483-E1487 IonicContact CZ-OE1 2.98Å; R1483-E1487 IonicContact NE-OE1 2.72Å; R1483-E1487 PolarHBondContact NE-OE1 2.82Å; R1483-E1487 IonicContact NE-OE2 3.17Å; R1483-E1487 IonicContact NH2-OE1 2.9Å; R1483-E1487 PolarHBondContact NH2-OE1 3.42Å; R1483-E1487 VanDerWaalsContact NH2-OE1 3.1Å; R1483-E1487 IonicContact NH2-OE2 3.05Å; R1483-E1487 WeakPolarHBondContact O-CB 3.49Å; R1483-E1487 WeakPolarHBondContact O-CG 3.42Å; R1483-E1487 PolarHBondContact O-N 3.16Å; R1483-E1487 VanDerWaalsContact O-N 3.08Å; E1487-R1489 PolarHBondContact O-N 3.22Å; E1487-R1490 PolarHBondContact O-N 2.85Å; E1487-E1491 WeakPolarHBondContact O-CG 3.36Å; E1487-E1491 PolarHBondContact O-N 3.36Å |
| 1488 | R | 90.9 | Very high | 85.6 | Confident | 127 Ų | 127 | 70.7 Ų | 70.7 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 176.7 | -172.7 | -165 | 71.3 | 76.3 | -1.7 | 113.7 | S1484 E1485 E1491 A1492 | S1484-R1488 WeakPolarHBondContact O-CB 3.4Å; S1484-R1488 PolarHBondContact O-N 3.29Å; E1485-R1488 PolarHBondContact O-N 3.4Å; E1485-R1488 IonicContact OE1-CZ 3.4Å; E1485-R1488 IonicContact OE1-NE 2.7Å; E1485-R1488 IonicContact OE1-NH2 3.76Å; E1485-R1488 PolarHBondContact OE1-NH2 3.13Å; E1485-R1488 IonicContact OE2-CZ 3.46Å; E1485-R1488 IonicContact OE2-NE 3.4Å; E1485-R1488 PolarHBondContact OE2-NE 2.9Å; E1485-R1488 IonicContact OE2-NH2 2.72Å; E1485-R1488 PolarHBondContact OE2-NH2 3.03Å; R1488-E1491 PolarHBondContact O-N 2.97Å; R1488-A1492 PolarHBondContact O-N 3.16Å; R1488-A1492 VanDerWaalsContact O-N 3.13Å |
| 1489 | R | 91.1 | Very high | 85.6 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 178.2 | -71.1 | 174.5 | 72.8 | 149.5 | -5.9 | 110.8 | L1479 E1485 E1487 E1491 A1492 C1493 D1499 V1502 | L1479-R1489 VanDerWaalsContact CD2-NH1 3.25Å; E1485-R1489 HydrophobicContact CG-CG 4.35Å; E1485-R1489 WeakPolarHBondContact O-CB 3.45Å; E1485-R1489 VanDerWaalsContact O-CG 3.27Å; E1485-R1489 WeakPolarHBondContact O-CG 3.21Å; E1485-R1489 PolarHBondContact O-N 3.1Å; E1485-R1489 VanDerWaalsContact OE1-CD 3.26Å; E1485-R1489 WeakPolarHBondContact OE1-CD 3.49Å; E1485-R1489 WeakPolarHBondContact OE1-CG 3.37Å; E1487-R1489 PolarHBondContact O-N 3.22Å; R1489-E1491 PolarHBondContact O-N 2.66Å; R1489-A1492 PolarHBondContact O-N 2.87Å; R1489-C1493 PolarHBondContact O-N 2.69Å; R1489-C1493 VanDerWaalsContact O-N 3.08Å; R1489-C1493 PolarHBondContact O-SG 3.36Å; R1489-D1499 IonicContact CZ-OD1 2.67Å; R1489-D1499 IonicContact CZ-OD2 2.65Å; R1489-D1499 VanDerWaalsContact CZ-OD2 3.29Å; R1489-D1499 IonicContact NE-OD1 3.45Å; R1489-D1499 IonicContact NE-OD2 2.65Å; R1489-D1499 PolarHBondContact NE-OD2 2.85Å; R1489-D1499 IonicContact NH2-OD1 3.3Å; R1489-D1499 PolarHBondContact NH2-OD1 2.81Å; R1489-D1499 IonicContact NH2-OD2 2.68Å; R1489-D1499 PolarHBondContact NH2-OD2 3.18Å; R1489-V1502 HydrophobicContact CB-CB 4.35Å; R1489-V1502 HydrophobicContact CB-CG1 3.98Å; R1489-V1502 HydrophobicContact CB-CG2 3.93Å |
| 1490 | R | 91.6 | Very high | 85.8 | Confident | 34 Ų | 34 | 67.4 Ų | 67.4 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 175.5 | -78.3 | 172 | 168.5 | -171.3 | -8.5 | 112.7 | S1426 I1486 E1487 C1493 Q1494 V1502 | S1426-R1490 VanDerWaalsContact CB-NH1 3.33Å; S1426-R1490 PolarHBondContact OG-NH1 3.5Å; S1426-R1490 PolarHBondContact OG-NH2 2.81Å; I1486-R1490 VanDerWaalsContact O-CB 3.29Å; I1486-R1490 WeakPolarHBondContact O-CB 3.34Å; I1486-R1490 WeakPolarHBondContact O-CD 3.43Å; I1486-R1490 WeakPolarHBondContact O-CG 3.3Å; I1486-R1490 PolarHBondContact O-N 3.02Å; I1486-R1490 VanDerWaalsContact O-N 3.1Å; E1487-R1490 PolarHBondContact O-N 2.85Å; R1490-C1493 PolarHBondContact O-N 2.9Å; R1490-Q1494 PolarHBondContact O-N 3.38Å; R1490-V1502 HydrophobicContact CG-CB 4.15Å; R1490-V1502 HydrophobicContact CG-CG2 4.15Å; R1490-V1502 VanDerWaalsContact CG-O 3.3Å; R1490-V1502 WeakPolarHBondContact CG-O 3.24Å; R1490-V1502 PolarHBondContact NE-O 3.14Å |
| 1491 | E | 89 | Confident | 86.3 | Confident | 147 Ų | 147 | 61.9 Ų | 61.9 | 69% | 0.687 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.5 | -46.4 | 174.1 | -73.6 | -178.5 | 169.3 | 0 | 0 | 112.2 | E1487 R1488 R1489 C1493 Q1494 | E1487-E1491 WeakPolarHBondContact O-CG 3.36Å; E1487-E1491 PolarHBondContact O-N 3.36Å; R1488-E1491 PolarHBondContact O-N 2.97Å; R1489-E1491 PolarHBondContact O-N 2.66Å; E1491-C1493 PolarHBondContact O-N 3.39Å; E1491-Q1494 WeakPolarHBondContact O-CG 3.34Å; E1491-Q1494 PolarHBondContact O-N 3.31Å |
| 1492 | A | 86.9 | Confident | 86.5 | Confident | 64 Ų | 64 | 60.7 Ų | 60.7 | 53% | 0.529 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -27.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1488 R1489 S1496 | R1488-A1492 PolarHBondContact O-N 3.16Å; R1488-A1492 VanDerWaalsContact O-N 3.13Å; R1489-A1492 PolarHBondContact O-N 2.87Å; A1492-S1496 PolarHBondContact O-OG 3.4Å |
| 1493 | C | 86.7 | Confident | 87 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -82.4 | -13.3 | 179.1 | -66.1 | 0 | 0 | 0 | 0 | 114.7 | R1489 R1490 E1491 N1495 S1496 N1498 V1502 R1507 | R1489-C1493 PolarHBondContact O-N 2.69Å; R1489-C1493 VanDerWaalsContact O-N 3.08Å; R1489-C1493 PolarHBondContact O-SG 3.36Å; R1490-C1493 PolarHBondContact O-N 2.9Å; E1491-C1493 PolarHBondContact O-N 3.39Å; C1493-N1495 VanDerWaalsContact C-N 3.33Å; C1493-N1495 PolarHBondContact O-N 2.98Å; C1493-S1496 PolarHBondContact O-N 2.88Å; C1493-S1496 VanDerWaalsContact O-O 3.05Å; C1493-N1498 PolarHBondContact SG-O 3.17Å; C1493-V1502 HydrophobicContact CB-CG2 4.49Å; C1493-R1507 PolarHBondContact O-NE 3.25Å; C1493-R1507 PolarHBondContact O-NH2 2.89Å |
| 1494 | Q | 82.9 | Confident | 87.4 | Confident | 95 Ų | 95 | 54.9 Ų | 54.9 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -43.7 | -172.1 | -67.1 | -63.6 | -7.7 | 0 | 0 | 113 | R1490 E1491 R1507 | R1490-Q1494 PolarHBondContact O-N 3.38Å; E1491-Q1494 WeakPolarHBondContact O-CG 3.34Å; E1491-Q1494 PolarHBondContact O-N 3.31Å; Q1494-R1507 PolarHBondContact O-NE 3.38Å |
| 1495 | N | 76.9 | Confident | 87.9 | Confident | 167 Ų | 167 | 51.7 Ų | 51.7 | 89% | 0.893 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 5 | -175.2 | -61.2 | -32.7 | 0 | 0 | 0 | 113.7 | C1493 | C1493-N1495 VanDerWaalsContact C-N 3.33Å; C1493-N1495 PolarHBondContact O-N 2.98Å |
| 1496 | S | 79.8 | Confident | 88.4 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 22% | 0.217 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -120.2 | 161 | -179.1 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | A1492 C1493 N1498 R1507 | A1492-S1496 PolarHBondContact O-OG 3.4Å; C1493-S1496 PolarHBondContact O-N 2.88Å; C1493-S1496 VanDerWaalsContact O-O 3.05Å; S1496-N1498 VanDerWaalsContact C-N 3.29Å; S1496-R1507 PolarHBondContact O-NH2 2.72Å |
| 1497 | L | 81.7 | Confident | 88.7 | Confident | 70 Ų | 70 | 54.9 Ų | 54.9 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -98.8 | 27.1 | 173.9 | -61.6 | 179.3 | 0 | 0 | 0 | 111.8 | W1503 L1569 | L1497-W1503 HydrophobicContact CD2-CH2 3.96Å; L1497-W1503 HydrophobicContact CD2-CZ2 4.38Å; L1497-L1569 HydrophobicContact CB-CD2 4.09Å; L1497-L1569 HydrophobicContact CD2-CD2 4.33Å |
| 1498 | N | 82.5 | Confident | 89 | Confident | 98 Ų | 98 | 51.7 Ų | 51.7 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | trans | -99.2 | 165.1 | -175.1 | -59.7 | 0.6 | 0 | 0 | 0 | 110.5 | C1493 S1496 L1500 W1503 | C1493-N1498 PolarHBondContact SG-O 3.17Å; S1496-N1498 VanDerWaalsContact C-N 3.29Å; N1498-L1500 PolarHBondContact O-N 2.76Å; N1498-W1503 PolarHBondContact O-NE1 3.48Å | ||
| 1499 | D | 86.2 | Confident | 89.2 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | trans | 45.6 | 59.9 | 170.6 | -173.3 | 26.9 | 0 | 0 | 0 | 114.2 | R1489 L1501 V1502 W1503 Y1573 | R1489-D1499 IonicContact CZ-OD1 2.67Å; R1489-D1499 IonicContact CZ-OD2 2.65Å; R1489-D1499 VanDerWaalsContact CZ-OD2 3.29Å; R1489-D1499 IonicContact NE-OD1 3.45Å; R1489-D1499 IonicContact NE-OD2 2.65Å; R1489-D1499 PolarHBondContact NE-OD2 2.85Å; R1489-D1499 IonicContact NH2-OD1 3.3Å; R1489-D1499 PolarHBondContact NH2-OD1 2.81Å; R1489-D1499 IonicContact NH2-OD2 2.68Å; R1489-D1499 PolarHBondContact NH2-OD2 3.18Å; D1499-L1501 PolarHBondContact O-N 3Å; D1499-L1501 VanDerWaalsContact O-N 3.12Å; D1499-V1502 PolarHBondContact O-N 2.84Å; D1499-W1503 PolarHBondContact O-NE1 3.1Å; D1499-Y1573 WeakPolarHBondContact CA-OH 3.24Å; D1499-Y1573 PolarHBondContact N-OH 2.81Å | ||
| 1500 | L | 90.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -58.7 | -27.2 | -177.1 | -177 | 60.1 | 0 | 0 | 0 | 112.4 | N1498 V1502 W1503 G1531 M1534 V1535 L1569 L1570 Y1573 | N1498-L1500 PolarHBondContact O-N 2.76Å; L1500-V1502 PolarHBondContact O-N 3.2Å; L1500-V1502 VanDerWaalsContact O-N 3.12Å; L1500-W1503 HydrophobicContact CD1-CB 4.42Å; L1500-W1503 HydrophobicContact CD1-CD2 3.45Å; L1500-W1503 VanDerWaalsContact CD1-CD2 3.45Å; L1500-W1503 HydrophobicContact CD1-CE3 3.45Å; L1500-W1503 VanDerWaalsContact CD1-CE3 3.45Å; L1500-W1503 HydrophobicContact CD1-CG 3.92Å; L1500-W1503 HydrophobicContact CD1-CH2 4.06Å; L1500-W1503 HydrophobicContact CD1-CZ2 4.07Å; L1500-W1503 HydrophobicContact CD1-CZ3 3.77Å; L1500-W1503 PolarHBondContact O-N 3.4Å; L1500-G1531 CarbonylContact O-C 3.59Å; L1500-G1531 WeakPolarHBondContact O-CA 3.42Å; L1500-M1534 HydrophobicContact CD1-SD 4.5Å; L1500-M1534 HydrophobicContact CD2-CB 4.43Å; L1500-V1535 HydrophobicContact CB-CG2 3.69Å; L1500-V1535 HydrophobicContact CD2-CG2 3.59Å; L1500-V1535 HydrophobicContact CG-CG2 3.53Å; L1500-L1569 HydrophobicContact CD2-CB 4.23Å; L1500-L1570 HydrophobicContact CD2-CD2 3.75Å; L1500-Y1573 HydrophobicContact CB-CE2 3.89Å; L1500-Y1573 PolarHBondContact N-OH 3.17Å; L1500-Y1573 VanDerWaalsContact N-OH 3.11Å |
| 1501 | L | 91.1 | Very high | 89.4 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -52.7 | -34.7 | -178.7 | 178.9 | 63.5 | 0 | 0 | 0 | 113.8 | C1475 D1499 A1532 L1536 | C1475-L1501 PolarHBondContact SG-O 3.44Å; C1475-L1501 VanDerWaalsContact SG-O 3.33Å; D1499-L1501 PolarHBondContact O-N 3Å; D1499-L1501 VanDerWaalsContact O-N 3.12Å; L1501-A1532 HydrophobicContact CD1-CB 4.18Å; L1501-A1532 WeakPolarHBondContact O-CB 3.49Å; L1501-A1532 PolarHBondContact O-N 3.33Å; L1501-L1536 HydrophobicContact CD1-CD1 3.97Å; L1501-L1536 HydrophobicContact CD1-CD2 4.03Å; L1501-L1536 HydrophobicContact CD1-CG 4Å |
| 1502 | V | 92.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -95.8 | -8 | -174.3 | -56.1 | 0 | 0 | 0 | 0 | 114.5 | L1479 R1489 R1490 C1493 D1499 L1500 S1504 | L1479-V1502 HydrophobicContact CD1-CG1 4.18Å; R1489-V1502 HydrophobicContact CB-CB 4.35Å; R1489-V1502 HydrophobicContact CB-CG1 3.98Å; R1489-V1502 HydrophobicContact CB-CG2 3.93Å; R1490-V1502 HydrophobicContact CG-CB 4.15Å; R1490-V1502 HydrophobicContact CG-CG2 4.15Å; R1490-V1502 VanDerWaalsContact CG-O 3.3Å; R1490-V1502 WeakPolarHBondContact CG-O 3.24Å; R1490-V1502 PolarHBondContact NE-O 3.14Å; C1493-V1502 HydrophobicContact CB-CG2 4.49Å; D1499-V1502 PolarHBondContact O-N 2.84Å; L1500-V1502 PolarHBondContact O-N 3.2Å; L1500-V1502 VanDerWaalsContact O-N 3.12Å; V1502-S1504 PolarHBondContact O-N 2.94Å |
| 1503 | W | 95 | Very high | 90 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | trans | -59.8 | 132.1 | -171.2 | -72.4 | 24.4 | 0 | 0 | 0 | 111.9 | L1497 N1498 D1499 L1500 R1507 V1508 W1511 G1531 L1569 | L1497-W1503 HydrophobicContact CD2-CH2 3.96Å; L1497-W1503 HydrophobicContact CD2-CZ2 4.38Å; N1498-W1503 PolarHBondContact O-NE1 3.48Å; D1499-W1503 PolarHBondContact O-NE1 3.1Å; L1500-W1503 HydrophobicContact CD1-CB 4.42Å; L1500-W1503 HydrophobicContact CD1-CD2 3.45Å; L1500-W1503 VanDerWaalsContact CD1-CD2 3.45Å; L1500-W1503 HydrophobicContact CD1-CE3 3.45Å; L1500-W1503 VanDerWaalsContact CD1-CE3 3.45Å; L1500-W1503 HydrophobicContact CD1-CG 3.92Å; L1500-W1503 HydrophobicContact CD1-CH2 4.06Å; L1500-W1503 HydrophobicContact CD1-CZ2 4.07Å; L1500-W1503 HydrophobicContact CD1-CZ3 3.77Å; L1500-W1503 PolarHBondContact O-N 3.4Å; W1503-R1507 HydrophobicContact CB-CB 4.13Å; W1503-R1507 HydrophobicContact CB-CG 3.93Å; W1503-R1507 HydrophobicContact CD2-CG 3.57Å; W1503-R1507 HydrophobicContact CE3-CG 3.8Å; W1503-R1507 HydrophobicContact CG-CB 4.37Å; W1503-R1507 HydrophobicContact CG-CG 3.63Å; W1503-V1508 HydrophobicContact CE3-CG2 4.25Å; W1503-W1511 HydrophobicContact CH2-CB 4.36Å; W1503-W1511 HydrophobicContact CH2-CG 4.32Å; W1503-W1511 HydrophobicContact CZ3-CB 3.75Å; W1503-W1511 HydrophobicContact CZ3-CD2 4.42Å; W1503-W1511 AromaticContact CZ3-CG 3.92Å; W1503-W1511 HydrophobicContact CZ3-CG 3.92Å; W1503-G1531 PolarHBondContact O-N 3.15Å; W1503-L1569 HydrophobicContact CH2-CD1 3.83Å; W1503-L1569 HydrophobicContact CH2-CD2 4.06Å; W1503-L1569 HydrophobicContact CZ3-CD1 4Å | ||
| 1504 | S | 94.9 | Very high | 90.2 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | trans | -75.4 | 163.8 | 171 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | S1426 V1502 D1506 R1507 V1508 | S1426-S1504 CarbonylContact O-C 3.54Å; S1426-S1504 WeakPolarHBondContact O-CA 3.42Å; S1426-S1504 WeakPolarHBondContact O-CB 3.43Å; V1502-S1504 PolarHBondContact O-N 2.94Å; S1504-D1506 VanDerWaalsContact C-N 3.26Å; S1504-D1506 PolarHBondContact O-N 3.39Å; S1504-R1507 WeakPolarHBondContact O-CA 3.48Å; S1504-R1507 WeakPolarHBondContact O-CB 3.32Å; S1504-R1507 PolarHBondContact O-N 3.35Å; S1504-R1507 PolarHBondContact OG-N 3.4Å; S1504-V1508 PolarHBondContact O-N 2.78Å | ||
| 1505 | N | 96.2 | Very high | 90.6 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -49.6 | -45.8 | 167.7 | -178.6 | -102.6 | 0 | 0 | 0 | 111.6 | S1426 R1507 V1508 I1509 L1524 V1529 | S1426-N1505 PolarHBondContact O-N 3.11Å; N1505-R1507 VanDerWaalsContact C-N 3.3Å; N1505-R1507 PolarHBondContact O-N 3.47Å; N1505-V1508 PolarHBondContact O-N 2.74Å; N1505-I1509 VanDerWaalsContact O-CG1 3.31Å; N1505-I1509 WeakPolarHBondContact O-CG1 3.44Å; N1505-I1509 PolarHBondContact O-N 2.92Å; N1505-I1509 WeakPolarHBondContact OD1-CD1 3.36Å; N1505-L1524 PolarHBondContact ND2-O 3.45Å; N1505-V1529 WeakPolarHBondContact CB-O 3.1Å; N1505-V1529 PolarHBondContact ND2-O 2.87Å |
| 1506 | D | 94.4 | Very high | 91.2 | Very high | 103 Ų | 103 | 33 Ų | 33 | 55% | 0.551 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -57.4 | -39.1 | 174 | -57.1 | -74.7 | 0 | 0 | 0 | 113.4 | S1504 I1509 A1510 | S1504-D1506 VanDerWaalsContact C-N 3.26Å; S1504-D1506 PolarHBondContact O-N 3.39Å; D1506-I1509 PolarHBondContact O-N 3.12Å; D1506-A1510 WeakPolarHBondContact O-CB 3.48Å; D1506-A1510 PolarHBondContact O-N 3.31Å |
| 1507 | R | 94.4 | Very high | 91.7 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.7 | -35.6 | 179.4 | -179.8 | 63.5 | -169.3 | 92.4 | -4.8 | 111.9 | C1493 Q1494 S1496 W1503 S1504 N1505 A1510 W1511 | C1493-R1507 PolarHBondContact O-NE 3.25Å; C1493-R1507 PolarHBondContact O-NH2 2.89Å; Q1494-R1507 PolarHBondContact O-NE 3.38Å; S1496-R1507 PolarHBondContact O-NH2 2.72Å; W1503-R1507 HydrophobicContact CB-CB 4.13Å; W1503-R1507 HydrophobicContact CB-CG 3.93Å; W1503-R1507 HydrophobicContact CD2-CG 3.57Å; W1503-R1507 HydrophobicContact CE3-CG 3.8Å; W1503-R1507 HydrophobicContact CG-CB 4.37Å; W1503-R1507 HydrophobicContact CG-CG 3.63Å; S1504-R1507 WeakPolarHBondContact O-CA 3.48Å; S1504-R1507 WeakPolarHBondContact O-CB 3.32Å; S1504-R1507 PolarHBondContact O-N 3.35Å; S1504-R1507 PolarHBondContact OG-N 3.4Å; N1505-R1507 VanDerWaalsContact C-N 3.3Å; N1505-R1507 PolarHBondContact O-N 3.47Å; R1507-A1510 PolarHBondContact O-N 3.47Å; R1507-W1511 PolarHBondContact O-N 3.18Å |
| 1508 | V | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67 | -44.4 | 170.9 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | W1503 S1504 N1505 A1510 W1511 L1512 L1524 V1529 M1534 F1545 | W1503-V1508 HydrophobicContact CE3-CG2 4.25Å; S1504-V1508 PolarHBondContact O-N 2.78Å; N1505-V1508 PolarHBondContact O-N 2.74Å; V1508-A1510 VanDerWaalsContact C-N 3.32Å; V1508-A1510 PolarHBondContact O-N 2.88Å; V1508-W1511 HydrophobicContact CG1-CE3 4.28Å; V1508-W1511 PolarHBondContact O-N 3.47Å; V1508-W1511 VanDerWaalsContact O-N 3.17Å; V1508-L1512 HydrophobicContact CG1-CD1 4.39Å; V1508-L1512 WeakPolarHBondContact O-CG 3.5Å; V1508-L1512 PolarHBondContact O-N 2.85Å; V1508-L1524 HydrophobicContact CB-CD1 4.4Å; V1508-L1524 HydrophobicContact CG1-CD1 3.63Å; V1508-V1529 HydrophobicContact CG1-CG1 4.47Å; V1508-M1534 HydrophobicContact CG1-SD 4.17Å; V1508-M1534 HydrophobicContact CG2-SD 3.84Å; V1508-F1545 HydrophobicContact CG1-CZ 4.03Å |
| 1509 | I | 94.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 33.1 Ų | 33.1 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -40.9 | 174.5 | -70.2 | 174.1 | 0 | 0 | 0 | 111.2 | N1505 D1506 L1512 K1513 A1521 L1524 I1525 | N1505-I1509 VanDerWaalsContact O-CG1 3.31Å; N1505-I1509 WeakPolarHBondContact O-CG1 3.44Å; N1505-I1509 PolarHBondContact O-N 2.92Å; N1505-I1509 WeakPolarHBondContact OD1-CD1 3.36Å; D1506-I1509 PolarHBondContact O-N 3.12Å; I1509-L1512 PolarHBondContact O-N 3.43Å; I1509-K1513 HydrophobicContact CG2-CD 4.28Å; I1509-K1513 VanDerWaalsContact O-CG 3.27Å; I1509-K1513 WeakPolarHBondContact O-CG 3.43Å; I1509-K1513 PolarHBondContact O-N 3.23Å; I1509-K1513 VanDerWaalsContact O-N 3.08Å; I1509-A1521 WeakPolarHBondContact CG1-O 3.47Å; I1509-A1521 HydrophobicContact CG2-CB 4.28Å; I1509-L1524 HydrophobicContact CD1-CB 4.12Å; I1509-L1524 HydrophobicContact CG1-CB 3.92Å; I1509-L1524 HydrophobicContact CG1-CD1 4.35Å; I1509-I1525 HydrophobicContact CD1-CG1 4.09Å |
| 1510 | A | 93.4 | Very high | 92.7 | Very high | 47 Ų | 47 | 33.1 Ų | 33.1 | 39% | 0.388 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1506 R1507 V1508 K1513 S1514 | D1506-A1510 WeakPolarHBondContact O-CB 3.48Å; D1506-A1510 PolarHBondContact O-N 3.31Å; R1507-A1510 PolarHBondContact O-N 3.47Å; V1508-A1510 VanDerWaalsContact C-N 3.32Å; V1508-A1510 PolarHBondContact O-N 2.88Å; A1510-K1513 PolarHBondContact O-N 3.19Å; A1510-S1514 PolarHBondContact O-N 2.82Å |
| 1511 | W | 94.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -44.2 | 173.4 | 165.8 | 76.7 | 0 | 0 | 0 | 112.1 | W1503 R1507 V1508 K1513 S1514 I1515 F1545 L1562 E1565 L1569 | W1503-W1511 HydrophobicContact CH2-CB 4.36Å; W1503-W1511 HydrophobicContact CH2-CG 4.32Å; W1503-W1511 HydrophobicContact CZ3-CB 3.75Å; W1503-W1511 HydrophobicContact CZ3-CD2 4.42Å; W1503-W1511 AromaticContact CZ3-CG 3.92Å; W1503-W1511 HydrophobicContact CZ3-CG 3.92Å; R1507-W1511 PolarHBondContact O-N 3.18Å; V1508-W1511 HydrophobicContact CG1-CE3 4.28Å; V1508-W1511 PolarHBondContact O-N 3.47Å; V1508-W1511 VanDerWaalsContact O-N 3.17Å; W1511-K1513 VanDerWaalsContact C-N 3.28Å; W1511-K1513 PolarHBondContact O-N 2.94Å; W1511-S1514 WeakPolarHBondContact CA-OG 3.15Å; W1511-S1514 CarbonylContact O-C 3.6Å; W1511-S1514 WeakPolarHBondContact O-CA 3.42Å; W1511-S1514 WeakPolarHBondContact O-CB 3.19Å; W1511-S1514 PolarHBondContact O-N 3.34Å; W1511-S1514 PolarHBondContact O-OG 3.49Å; W1511-I1515 HydrophobicContact CH2-CD1 4Å; W1511-I1515 HydrophobicContact CZ2-CD1 3.88Å; W1511-I1515 HydrophobicContact CZ2-CG2 4.47Å; W1511-I1515 HydrophobicContact CZ3-CD1 4.46Å; W1511-I1515 PolarHBondContact O-N 2.65Å; W1511-F1545 HydrophobicContact CH2-CE1 4.08Å; W1511-F1545 AromaticContact CZ3-CE1 3.69Å; W1511-F1545 HydrophobicContact CZ3-CE1 3.69Å; W1511-F1545 HydrophobicContact CZ3-CZ 4.02Å; W1511-L1562 HydrophobicContact CH2-CD1 4.06Å; W1511-L1562 HydrophobicContact CZ3-CD1 4.42Å; W1511-E1565 HydrophobicContact CZ2-CB 3.84Å; W1511-L1569 HydrophobicContact CD2-CD1 3.95Å; W1511-L1569 VanDerWaalsContact CE2-CD1 3.45Å; W1511-L1569 HydrophobicContact CG-CD1 4.36Å; W1511-L1569 HydrophobicContact CH2-CD1 4.34Å; W1511-L1569 HydrophobicContact CZ2-CD1 3.65Å; W1511-L1569 HydrophobicContact CZ2-CG 4.41Å |
| 1512 | L | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.4 | -41.4 | 175.4 | -74.8 | 172.3 | 0 | 0 | 0 | 112.2 | V1508 I1509 I1515 G1516 L1517 A1521 L1524 F1545 L1549 L1562 | V1508-L1512 HydrophobicContact CG1-CD1 4.39Å; V1508-L1512 WeakPolarHBondContact O-CG 3.5Å; V1508-L1512 PolarHBondContact O-N 2.85Å; I1509-L1512 PolarHBondContact O-N 3.43Å; L1512-I1515 HydrophobicContact CD2-CD1 4.22Å; L1512-I1515 VanDerWaalsContact O-CG1 3.3Å; L1512-I1515 WeakPolarHBondContact O-CG1 3.46Å; L1512-I1515 PolarHBondContact O-N 2.83Å; L1512-G1516 PolarHBondContact O-N 3.19Å; L1512-L1517 HydrophobicContact CD2-CB 4.43Å; L1512-L1517 HydrophobicContact CD2-CD1 4.02Å; L1512-L1517 PolarHBondContact O-N 2.72Å; L1512-A1521 HydrophobicContact CB-CB 3.74Å; L1512-A1521 HydrophobicContact CD1-CB 4.22Å; L1512-L1524 HydrophobicContact CD1-CD1 3.45Å; L1512-L1524 VanDerWaalsContact CD1-CD1 3.45Å; L1512-L1524 HydrophobicContact CD1-CG 3.97Å; L1512-F1545 HydrophobicContact CD1-CZ 4.32Å; L1512-F1545 HydrophobicContact CD2-CE1 4.5Å; L1512-F1545 HydrophobicContact CD2-CZ 4.23Å; L1512-L1549 HydrophobicContact CD1-CD1 4.33Å; L1512-L1549 HydrophobicContact CD1-CD2 3.56Å; L1512-L1549 HydrophobicContact CD2-CD1 3.99Å; L1512-L1562 HydrophobicContact CD2-CD1 3.9Å |
| 1513 | K | 93.2 | Very high | 92.8 | Very high | 104 Ų | 104 | 39.9 Ų | 39.9 | 45% | 0.452 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.8 | -41.8 | 172.2 | -69.5 | 168.6 | -179.1 | 173.9 | 0 | 111.8 | I1509 A1510 W1511 I1515 G1516 N1518 A1521 | I1509-K1513 HydrophobicContact CG2-CD 4.28Å; I1509-K1513 VanDerWaalsContact O-CG 3.27Å; I1509-K1513 WeakPolarHBondContact O-CG 3.43Å; I1509-K1513 PolarHBondContact O-N 3.23Å; I1509-K1513 VanDerWaalsContact O-N 3.08Å; A1510-K1513 PolarHBondContact O-N 3.19Å; W1511-K1513 VanDerWaalsContact C-N 3.28Å; W1511-K1513 PolarHBondContact O-N 2.94Å; K1513-I1515 PolarHBondContact O-N 2.83Å; K1513-G1516 WeakPolarHBondContact O-CA 3.33Å; K1513-G1516 PolarHBondContact O-N 3.03Å; K1513-N1518 VanDerWaalsContact CA-OD1 3.32Å; K1513-N1518 WeakPolarHBondContact CA-OD1 3.38Å; K1513-N1518 VanDerWaalsContact CB-OD1 3.27Å; K1513-N1518 WeakPolarHBondContact CB-OD1 3.37Å; K1513-N1518 WeakPolarHBondContact CG-OD1 3.12Å; K1513-A1521 HydrophobicContact CG-CB 4.06Å |
| 1514 | S | 91 | Very high | 92.8 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 61% | 0.608 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -64.9 | -34.2 | 178.2 | 77.4 | 0 | 0 | 0 | 0 | 113.8 | A1510 W1511 G1516 | A1510-S1514 PolarHBondContact O-N 2.82Å; W1511-S1514 WeakPolarHBondContact CA-OG 3.15Å; W1511-S1514 CarbonylContact O-C 3.6Å; W1511-S1514 WeakPolarHBondContact O-CA 3.42Å; W1511-S1514 WeakPolarHBondContact O-CB 3.19Å; W1511-S1514 PolarHBondContact O-N 3.34Å; W1511-S1514 PolarHBondContact O-OG 3.49Å; S1514-G1516 PolarHBondContact O-N 3.28Å |
| 1515 | I | 91.4 | Very high | 92.6 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -0.5 | 172.5 | 68.7 | 166.4 | 0 | 0 | 0 | 112.7 | W1511 L1512 K1513 L1517 K1561 L1562 E1565 | W1511-I1515 HydrophobicContact CH2-CD1 4Å; W1511-I1515 HydrophobicContact CZ2-CD1 3.88Å; W1511-I1515 HydrophobicContact CZ2-CG2 4.47Å; W1511-I1515 HydrophobicContact CZ3-CD1 4.46Å; W1511-I1515 PolarHBondContact O-N 2.65Å; L1512-I1515 HydrophobicContact CD2-CD1 4.22Å; L1512-I1515 VanDerWaalsContact O-CG1 3.3Å; L1512-I1515 WeakPolarHBondContact O-CG1 3.46Å; L1512-I1515 PolarHBondContact O-N 2.83Å; K1513-I1515 PolarHBondContact O-N 2.83Å; I1515-L1517 HydrophobicContact CD1-CD1 3.84Å; I1515-L1517 HydrophobicContact CD1-CG 4.17Å; I1515-L1517 HydrophobicContact CG1-CD1 4.39Å; I1515-L1517 HydrophobicContact CG1-CG 4.2Å; I1515-K1561 WeakPolarHBondContact O-CE 3.39Å; I1515-K1561 PolarHBondContact O-NZ 3.44Å; I1515-L1562 HydrophobicContact CD1-CD1 4.35Å; I1515-E1565 HydrophobicContact CB-CG 4.33Å; I1515-E1565 HydrophobicContact CD1-CB 4.2Å; I1515-E1565 HydrophobicContact CG2-CB 4.06Å; I1515-E1565 HydrophobicContact CG2-CG 3.78Å |
| 1516 | G | 89.9 | Confident | 92.5 | Very high | 30 Ų | 30 | 46 Ų | 46 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | 1.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1512 K1513 S1514 N1518 | L1512-G1516 PolarHBondContact O-N 3.19Å; K1513-G1516 WeakPolarHBondContact O-CA 3.33Å; K1513-G1516 PolarHBondContact O-N 3.03Å; S1514-G1516 PolarHBondContact O-N 3.28Å; G1516-N1518 PolarHBondContact O-N 3.12Å |
| 1517 | L | 91.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -80.2 | 44.7 | 177.2 | -60.5 | -177.7 | 0 | 0 | 0 | 112.1 | L1512 I1515 E1519 Y1520 A1521 I1551 M1558 L1562 | L1512-L1517 HydrophobicContact CD2-CB 4.43Å; L1512-L1517 HydrophobicContact CD2-CD1 4.02Å; L1512-L1517 PolarHBondContact O-N 2.72Å; I1515-L1517 HydrophobicContact CD1-CD1 3.84Å; I1515-L1517 HydrophobicContact CD1-CG 4.17Å; I1515-L1517 HydrophobicContact CG1-CD1 4.39Å; I1515-L1517 HydrophobicContact CG1-CG 4.2Å; L1517-E1519 VanDerWaalsContact C-N 3.3Å; L1517-E1519 PolarHBondContact O-N 2.93Å; L1517-Y1520 HydrophobicContact CB-CD2 4.45Å; L1517-Y1520 HydrophobicContact CD2-CD2 4.23Å; L1517-Y1520 PolarHBondContact O-N 2.93Å; L1517-A1521 WeakPolarHBondContact O-CB 3.47Å; L1517-A1521 PolarHBondContact O-N 3.22Å; L1517-I1551 HydrophobicContact CD1-CD1 4.33Å; L1517-M1558 HydrophobicContact CD2-CB 3.76Å; L1517-M1558 HydrophobicContact CD2-CG 3.94Å; L1517-M1558 HydrophobicContact CD2-SD 3.46Å; L1517-M1558 WeakPolarHBondContact CD2-SD 3.22Å; L1517-L1562 HydrophobicContact CD1-CB 4.03Å; L1517-L1562 HydrophobicContact CD1-CD1 3.8Å; L1517-L1562 HydrophobicContact CD1-CG 4.44Å | ||
| 1518 | N | 90.5 | Very high | 92.4 | Very high | 97 Ų | 97 | 40.8 Ų | 40.8 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -38.6 | -172.1 | -72.7 | -58.2 | 0 | 0 | 0 | 113.5 | K1513 G1516 | K1513-N1518 VanDerWaalsContact CA-OD1 3.32Å; K1513-N1518 WeakPolarHBondContact CA-OD1 3.38Å; K1513-N1518 VanDerWaalsContact CB-OD1 3.27Å; K1513-N1518 WeakPolarHBondContact CB-OD1 3.37Å; K1513-N1518 WeakPolarHBondContact CG-OD1 3.12Å; G1516-N1518 PolarHBondContact O-N 3.12Å |
| 1519 | E | 88.6 | Confident | 92.5 | Very high | 104 Ų | 104 | 40.8 Ų | 40.8 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -29.7 | -175.3 | 68 | -157.2 | 131.5 | 0 | 0 | 113.8 | L1517 K1522 | L1517-E1519 VanDerWaalsContact C-N 3.3Å; L1517-E1519 PolarHBondContact O-N 2.93Å; E1519-K1522 WeakPolarHBondContact O-CD 3.15Å; E1519-K1522 VanDerWaalsContact O-CE 3.22Å; E1519-K1522 WeakPolarHBondContact O-CE 3.14Å; E1519-K1522 PolarHBondContact O-NZ 3.21Å |
| 1520 | Y | 92.2 | Very high | 92.6 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 11% | 0.106 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -28 | 178.4 | -57.6 | -70 | 0 | 0 | 0 | 112.3 | L1517 K1522 N1523 I1551 P1552 D1555 M1558 | L1517-Y1520 HydrophobicContact CB-CD2 4.45Å; L1517-Y1520 HydrophobicContact CD2-CD2 4.23Å; L1517-Y1520 PolarHBondContact O-N 2.93Å; Y1520-K1522 PolarHBondContact O-N 3.47Å; Y1520-N1523 VanDerWaalsContact O-CB 3.23Å; Y1520-N1523 WeakPolarHBondContact O-CB 3.49Å; Y1520-N1523 PolarHBondContact O-N 2.95Å; Y1520-I1551 HydrophobicContact CD1-CG1 3.81Å; Y1520-I1551 HydrophobicContact CD2-CD1 4.43Å; Y1520-I1551 HydrophobicContact CD2-CG1 4.01Å; Y1520-I1551 HydrophobicContact CE1-CB 4.28Å; Y1520-I1551 HydrophobicContact CE1-CG1 4.03Å; Y1520-I1551 HydrophobicContact CE1-CG2 4.44Å; Y1520-I1551 HydrophobicContact CE2-CG1 4.2Å; Y1520-I1551 HydrophobicContact CE2-CG2 4.4Å; Y1520-I1551 HydrophobicContact CG-CG1 3.8Å; Y1520-P1552 WeakPolarHBondContact OH-CD 3.4Å; Y1520-D1555 PolarHBondContact OH-OD2 3.46Å; Y1520-M1558 HydrophobicContact CE2-CB 4.34Å; Y1520-M1558 HydrophobicContact CE2-CG 4.19Å |
| 1521 | A | 92.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -56.6 | -27.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1509 L1512 K1513 L1517 N1523 L1524 | I1509-A1521 WeakPolarHBondContact CG1-O 3.47Å; I1509-A1521 HydrophobicContact CG2-CB 4.28Å; L1512-A1521 HydrophobicContact CB-CB 3.74Å; L1512-A1521 HydrophobicContact CD1-CB 4.22Å; K1513-A1521 HydrophobicContact CG-CB 4.06Å; L1517-A1521 WeakPolarHBondContact O-CB 3.47Å; L1517-A1521 PolarHBondContact O-N 3.22Å; A1521-N1523 PolarHBondContact O-N 2.92Å; A1521-L1524 PolarHBondContact O-N 3.24Å |
| 1522 | K | 91.1 | Very high | 92.6 | Very high | 124 Ų | 124 | 37.9 Ų | 37.9 | 54% | 0.539 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -65.2 | -24.2 | 174.5 | 76.6 | -163.4 | -177.1 | -135.3 | 0 | 113.3 | E1519 Y1520 L1524 I1525 | E1519-K1522 WeakPolarHBondContact O-CD 3.15Å; E1519-K1522 VanDerWaalsContact O-CE 3.22Å; E1519-K1522 WeakPolarHBondContact O-CE 3.14Å; E1519-K1522 PolarHBondContact O-NZ 3.21Å; Y1520-K1522 PolarHBondContact O-N 3.47Å; K1522-L1524 PolarHBondContact O-N 2.69Å; K1522-I1525 WeakPolarHBondContact O-CB 3.38Å; K1522-I1525 WeakPolarHBondContact O-CG1 3.37Å; K1522-I1525 PolarHBondContact O-N 2.8Å |
| 1523 | N | 92.6 | Very high | 92.6 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -75.6 | -10.7 | -175.9 | -57.9 | -14.6 | 0 | 0 | 0 | 112.2 | Y1520 A1521 I1525 L1549 | Y1520-N1523 VanDerWaalsContact O-CB 3.23Å; Y1520-N1523 WeakPolarHBondContact O-CB 3.49Å; Y1520-N1523 PolarHBondContact O-N 2.95Å; A1521-N1523 PolarHBondContact O-N 2.92Å; N1523-I1525 VanDerWaalsContact C-N 3.33Å; N1523-L1549 PolarHBondContact ND2-O 3.33Å |
| 1524 | L | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -80.2 | -9.6 | 171.6 | -64.5 | -162.4 | 0 | 0 | 0 | 114.3 | N1505 V1508 I1509 L1512 A1521 K1522 D1526 S1527 V1529 F1545 I1548 L1549 | N1505-L1524 PolarHBondContact ND2-O 3.45Å; V1508-L1524 HydrophobicContact CB-CD1 4.4Å; V1508-L1524 HydrophobicContact CG1-CD1 3.63Å; I1509-L1524 HydrophobicContact CD1-CB 4.12Å; I1509-L1524 HydrophobicContact CG1-CB 3.92Å; I1509-L1524 HydrophobicContact CG1-CD1 4.35Å; L1512-L1524 HydrophobicContact CD1-CD1 3.45Å; L1512-L1524 VanDerWaalsContact CD1-CD1 3.45Å; L1512-L1524 HydrophobicContact CD1-CG 3.97Å; A1521-L1524 PolarHBondContact O-N 3.24Å; K1522-L1524 PolarHBondContact O-N 2.69Å; L1524-D1526 PolarHBondContact O-N 2.82Å; L1524-S1527 WeakPolarHBondContact CA-OG 3.43Å; L1524-S1527 WeakPolarHBondContact O-CB 3.39Å; L1524-S1527 PolarHBondContact O-N 2.75Å; L1524-S1527 PolarHBondContact O-OG 2.98Å; L1524-V1529 HydrophobicContact CD1-CB 4.26Å; L1524-V1529 HydrophobicContact CD1-CG1 4.22Å; L1524-V1529 HydrophobicContact CD2-CB 4.19Å; L1524-V1529 HydrophobicContact CD2-CG2 4.12Å; L1524-F1545 HydrophobicContact CD1-CE2 3.95Å; L1524-F1545 HydrophobicContact CD1-CZ 4.31Å; L1524-F1545 HydrophobicContact CD2-CE2 4Å; L1524-I1548 HydrophobicContact CD2-CG2 3.87Å; L1524-L1549 HydrophobicContact CD1-CD2 4.32Å; L1524-L1549 HydrophobicContact CD2-CD2 3.57Å; L1524-L1549 HydrophobicContact CD2-CG 4.03Å; L1524-L1549 HydrophobicContact CG-CD2 3.67Å |
| 1525 | I | 92.4 | Very high | 92.5 | Very high | 110 Ų | 110 | 29.3 Ų | 29.3 | 56% | 0.564 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 127.6 | 175.1 | -62.1 | 171.2 | 0 | 0 | 0 | 108.1 | I1509 K1522 N1523 S1527 | I1509-I1525 HydrophobicContact CD1-CG1 4.09Å; K1522-I1525 WeakPolarHBondContact O-CB 3.38Å; K1522-I1525 WeakPolarHBondContact O-CG1 3.37Å; K1522-I1525 PolarHBondContact O-N 2.8Å; N1523-I1525 VanDerWaalsContact C-N 3.33Å; I1525-S1527 PolarHBondContact O-N 3.31Å |
| 1526 | D | 92.7 | Very high | 92.4 | Very high | 42 Ų | 42 | 29.6 Ų | 29.6 | 23% | 0.225 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 23 | -176.7 | -84.6 | -41.4 | 0 | 0 | 0 | 115.8 | G1428 A1430 R1431 H1465 L1524 | G1428-D1526 CarbonylContact O-C 3.56Å; G1428-D1526 WeakPolarHBondContact O-CA 3.39Å; A1430-D1526 WeakPolarHBondContact CA-OD1 3.15Å; A1430-D1526 WeakPolarHBondContact CB-OD1 3.28Å; A1430-D1526 PolarHBondContact N-OD1 3.31Å; R1431-D1526 HydrophobicContact CB-CB 4.49Å; R1431-D1526 HydrophobicContact CG-CB 4.5Å; R1431-D1526 PolarHBondContact N-OD1 3.41Å; R1431-D1526 PolarHBondContact NE-O 3.49Å; R1431-D1526 PolarHBondContact NH2-O 3.03Å; H1465-D1526 PolarHBondContact NE2-O 3.37Å; L1524-D1526 PolarHBondContact O-N 2.82Å |
| 1527 | S | 93.3 | Very high | 92.4 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 8% | 0.084 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -88.4 | -18 | 178.3 | 67.1 | 0 | 0 | 0 | 0 | 115.7 | G1428 F1464 L1524 I1525 V1529 | G1428-S1527 PolarHBondContact O-N 2.92Å; F1464-S1527 WeakPolarHBondContact CD1-O 3.45Å; F1464-S1527 VanDerWaalsContact CE1-O 3.23Å; F1464-S1527 WeakPolarHBondContact CE1-O 3.48Å; L1524-S1527 WeakPolarHBondContact CA-OG 3.43Å; L1524-S1527 WeakPolarHBondContact O-CB 3.39Å; L1524-S1527 PolarHBondContact O-N 2.75Å; L1524-S1527 PolarHBondContact O-OG 2.98Å; I1525-S1527 PolarHBondContact O-N 3.31Å; S1527-V1529 VanDerWaalsContact C-N 3.34Å; S1527-V1529 PolarHBondContact OG-N 2.76Å; S1527-V1529 VanDerWaalsContact OG-N 3.16Å |
| 1528 | G | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | 80.4 | -2.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1427 G1428 S1468 H1530 | L1427-G1528 CarbonylContact O-C 3.57Å; L1427-G1528 VanDerWaalsContact O-CA 3.3Å; L1427-G1528 WeakPolarHBondContact O-CA 3.33Å; L1427-G1528 VanDerWaalsContact O-O 3.14Å; G1428-G1528 PolarHBondContact O-N 3.37Å; S1468-G1528 WeakPolarHBondContact CB-O 3.42Å; S1468-G1528 WeakPolarHBondContact OG-CA 3.36Å; S1468-G1528 PolarHBondContact OG-O 2.91Å; G1528-H1530 PolarHBondContact O-N 3.03Å; G1528-H1530 PolarHBondContact O-ND1 2.71Å | ||
| 1529 | V | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -75.8 | 125 | -179.8 | -178 | 0 | 0 | 0 | 0 | 111.7 | F1464 N1505 V1508 L1524 S1527 L1533 M1534 F1540 F1545 I1548 | F1464-V1529 HydrophobicContact CE1-CG2 4.17Å; F1464-V1529 HydrophobicContact CZ-CG2 4.19Å; N1505-V1529 WeakPolarHBondContact CB-O 3.1Å; N1505-V1529 PolarHBondContact ND2-O 2.87Å; V1508-V1529 HydrophobicContact CG1-CG1 4.47Å; L1524-V1529 HydrophobicContact CD1-CB 4.26Å; L1524-V1529 HydrophobicContact CD1-CG1 4.22Å; L1524-V1529 HydrophobicContact CD2-CB 4.19Å; L1524-V1529 HydrophobicContact CD2-CG2 4.12Å; S1527-V1529 VanDerWaalsContact C-N 3.34Å; S1527-V1529 PolarHBondContact OG-N 2.76Å; S1527-V1529 VanDerWaalsContact OG-N 3.16Å; V1529-L1533 HydrophobicContact CG2-CD2 4.39Å; V1529-M1534 HydrophobicContact CG1-CG 4.43Å; V1529-M1534 HydrophobicContact CG1-SD 4.44Å; V1529-F1540 HydrophobicContact CG1-CE2 4.48Å; V1529-F1540 HydrophobicContact CG1-CZ 4.13Å; V1529-F1540 HydrophobicContact CG2-CE2 4.45Å; V1529-F1545 HydrophobicContact CG1-CD2 4.48Å; V1529-F1545 HydrophobicContact CG1-CE2 3.87Å; V1529-F1545 HydrophobicContact CG1-CZ 4.45Å; V1529-I1548 HydrophobicContact CG2-CD1 4.09Å; V1529-I1548 HydrophobicContact CG2-CG2 3.81Å | ||
| 1530 | H | 95.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | trans | -154.4 | 170.5 | 177.6 | 62.8 | -78.4 | 0 | 0 | 0 | 109.9 | L1427 S1468 G1528 A1532 L1533 M1534 | L1427-H1530 PolarHBondContact O-ND1 3.28Å; S1468-H1530 PolarHBondContact O-CE1 3.5Å; S1468-H1530 PolarHBondContact OG-CE1 2.9Å; G1528-H1530 PolarHBondContact O-N 3.03Å; G1528-H1530 PolarHBondContact O-ND1 2.71Å; H1530-A1532 PolarHBondContact O-N 3.4Å; H1530-L1533 PolarHBondContact NE2-N 2.89Å; H1530-L1533 WeakPolarHBondContact O-CB 2.96Å; H1530-L1533 PolarHBondContact O-N 2.94Å; H1530-M1534 WeakPolarHBondContact O-CG 3.43Å; H1530-M1534 PolarHBondContact O-N 2.95Å | ||
| 1531 | G | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.7 | -38.4 | -169 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1500 W1503 L1533 M1534 V1535 | L1500-G1531 CarbonylContact O-C 3.59Å; L1500-G1531 WeakPolarHBondContact O-CA 3.42Å; W1503-G1531 PolarHBondContact O-N 3.15Å; G1531-L1533 PolarHBondContact O-N 2.91Å; G1531-M1534 PolarHBondContact O-N 2.7Å; G1531-V1535 WeakPolarHBondContact O-CG2 3.36Å; G1531-V1535 PolarHBondContact O-N 3.33Å; G1531-V1535 VanDerWaalsContact O-N 3.13Å |
| 1532 | A | 93 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C1475 L1501 H1530 V1535 L1536 | C1475-A1532 HydrophobicContact CB-CB 3.7Å; L1501-A1532 HydrophobicContact CD1-CB 4.18Å; L1501-A1532 WeakPolarHBondContact O-CB 3.49Å; L1501-A1532 PolarHBondContact O-N 3.33Å; H1530-A1532 PolarHBondContact O-N 3.4Å; A1532-V1535 PolarHBondContact O-N 3.48Å; A1532-L1536 HydrophobicContact CB-CD1 4.21Å; A1532-L1536 WeakPolarHBondContact O-CB 3.47Å; A1532-L1536 WeakPolarHBondContact O-CG 3.31Å; A1532-L1536 PolarHBondContact O-N 2.66Å |
| 1533 | L | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.9 | -51.7 | 170.8 | 177.4 | 70.7 | 0 | 0 | 0 | 110.9 | F1464 Y1471 V1529 H1530 G1531 V1535 L1536 D1537 F1540 | F1464-L1533 HydrophobicContact CE1-CD2 4.41Å; F1464-L1533 HydrophobicContact CE2-CD2 4.17Å; F1464-L1533 HydrophobicContact CZ-CD2 3.65Å; Y1471-L1533 HydrophobicContact CD2-CD1 3.52Å; Y1471-L1533 HydrophobicContact CE2-CD1 3.95Å; V1529-L1533 HydrophobicContact CG2-CD2 4.39Å; H1530-L1533 PolarHBondContact NE2-N 2.89Å; H1530-L1533 WeakPolarHBondContact O-CB 2.96Å; H1530-L1533 PolarHBondContact O-N 2.94Å; G1531-L1533 PolarHBondContact O-N 2.91Å; L1533-V1535 PolarHBondContact O-N 2.79Å; L1533-L1536 PolarHBondContact O-N 2.83Å; L1533-D1537 HydrophobicContact CD1-CB 4.02Å; L1533-D1537 WeakPolarHBondContact O-CB 3.42Å; L1533-D1537 PolarHBondContact O-N 2.77Å; L1533-F1540 HydrophobicContact CD2-CD2 3.96Å; L1533-F1540 HydrophobicContact CD2-CE2 3.76Å; L1533-F1540 HydrophobicContact CG-CD2 3.88Å; L1533-F1540 HydrophobicContact CG-CE2 4.12Å |
| 1534 | M | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -32.3 | -176.7 | -59.9 | 170.2 | 69.8 | 0 | 0 | 113.7 | L1500 V1508 V1529 H1530 G1531 F1540 F1545 L1566 L1570 R1574 | L1500-M1534 HydrophobicContact CD1-SD 4.5Å; L1500-M1534 HydrophobicContact CD2-CB 4.43Å; V1508-M1534 HydrophobicContact CG1-SD 4.17Å; V1508-M1534 HydrophobicContact CG2-SD 3.84Å; V1529-M1534 HydrophobicContact CG1-CG 4.43Å; V1529-M1534 HydrophobicContact CG1-SD 4.44Å; H1530-M1534 WeakPolarHBondContact O-CG 3.43Å; H1530-M1534 PolarHBondContact O-N 2.95Å; G1531-M1534 PolarHBondContact O-N 2.7Å; M1534-F1540 HydrophobicContact CB-CD1 4.4Å; M1534-F1540 HydrophobicContact CB-CE1 4.31Å; M1534-F1540 HydrophobicContact CG-CD1 4.29Å; M1534-F1540 HydrophobicContact CG-CE1 3.75Å; M1534-F1540 HydrophobicContact CG-CZ 3.97Å; M1534-F1545 HydrophobicContact CE-CE1 4.08Å; M1534-F1545 HydrophobicContact CE-CZ 4.42Å; M1534-L1566 HydrophobicContact CE-CD1 3.47Å; M1534-L1566 VanDerWaalsContact CE-CD1 3.47Å; M1534-L1570 HydrophobicContact CB-CD2 4.45Å; M1534-L1570 WeakPolarHBondContact O-CD2 3.47Å; M1534-R1574 PolarHBondContact O-NH2 2.99Å |
| 1535 | V | 89.7 | Confident | 91.5 | Very high | 12 Ų | 12 | 30 Ų | 30 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -90.8 | -38 | -177.5 | 174.6 | 0 | 0 | 0 | 0 | 113.1 | L1500 G1531 A1532 L1533 Y1573 | L1500-V1535 HydrophobicContact CB-CG2 3.69Å; L1500-V1535 HydrophobicContact CD2-CG2 3.59Å; L1500-V1535 HydrophobicContact CG-CG2 3.53Å; G1531-V1535 WeakPolarHBondContact O-CG2 3.36Å; G1531-V1535 PolarHBondContact O-N 3.33Å; G1531-V1535 VanDerWaalsContact O-N 3.13Å; A1532-V1535 PolarHBondContact O-N 3.48Å; L1533-V1535 PolarHBondContact O-N 2.79Å; V1535-Y1573 HydrophobicContact CG1-CD1 3.82Å; V1535-Y1573 HydrophobicContact CG1-CE1 4.46Å; V1535-Y1573 HydrophobicContact CG1-CG 4.04Å; V1535-Y1573 HydrophobicContact CG2-CD2 4.44Å; V1535-Y1573 HydrophobicContact CG2-CG 4.4Å |
| 1536 | L | 88.5 | Confident | 91.6 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 11% | 0.11 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -96.8 | -18 | -169.9 | -58 | -179.8 | 0 | 0 | 0 | 113.8 | Y1471 M1474 R1478 L1501 A1532 L1533 P1538 | Y1471-L1536 HydrophobicContact CD1-CB 3.39Å; Y1471-L1536 HydrophobicContact CD1-CD1 4.02Å; Y1471-L1536 HydrophobicContact CD1-CG 4.35Å; Y1471-L1536 HydrophobicContact CE1-CB 3.65Å; Y1471-L1536 WeakPolarHBondContact CE1-O 3.27Å; Y1471-L1536 HydrophobicContact CG-CB 4.2Å; M1474-L1536 HydrophobicContact CB-CD1 3.82Å; M1474-L1536 HydrophobicContact SD-CD1 4.4Å; R1478-L1536 VanDerWaalsContact CZ-CD2 3.43Å; L1501-L1536 HydrophobicContact CD1-CD1 3.97Å; L1501-L1536 HydrophobicContact CD1-CD2 4.03Å; L1501-L1536 HydrophobicContact CD1-CG 4Å; A1532-L1536 HydrophobicContact CB-CD1 4.21Å; A1532-L1536 WeakPolarHBondContact O-CB 3.47Å; A1532-L1536 WeakPolarHBondContact O-CG 3.31Å; A1532-L1536 PolarHBondContact O-N 2.66Å; L1533-L1536 PolarHBondContact O-N 2.83Å; L1536-P1538 WeakPolarHBondContact O-CD 3.49Å |
| 1537 | D | 89.2 | Confident | 91.5 | Very high | 10 Ų | 10 | 28.3 Ų | 28.3 | 5% | 0.053 | 16% | 0.162 | C | C | . | . | trans | -88.2 | 110.2 | 177.2 | -168.8 | -20.8 | 0 | 0 | 0 | 110.2 | Y1471 L1533 D1539 F1540 R1574 | Y1471-D1537 HydrophobicContact CD2-CB 4.27Å; Y1471-D1537 HydrophobicContact CE2-CB 3.57Å; L1533-D1537 HydrophobicContact CD1-CB 4.02Å; L1533-D1537 WeakPolarHBondContact O-CB 3.42Å; L1533-D1537 PolarHBondContact O-N 2.77Å; D1537-D1539 PolarHBondContact O-N 3.31Å; D1537-D1539 PolarHBondContact OD1-N 2.71Å; D1537-F1540 HydrophobicContact CB-CB 3.78Å; D1537-F1540 PolarHBondContact O-N 2.92Å; D1537-F1540 PolarHBondContact OD1-N 3.42Å; D1537-R1574 PolarHBondContact O-NH2 2.83Å | ||
| 1538 | P | 83.6 | Confident | 91.4 | Very high | 91 Ų | 91 | 29.6 Ų | 29.6 | 59% | 0.591 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -30.5 | 179.4 | 28.4 | -34.6 | 0 | 0 | 0 | 111.7 | L1536 R1574 | L1536-P1538 WeakPolarHBondContact O-CD 3.49Å; P1538-R1574 PolarHBondContact O-NH1 3.4Å |
| 1539 | D | 84.4 | Confident | 91.4 | Very high | 117 Ų | 117 | 29.6 Ų | 29.6 | 63% | 0.626 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.1 | -173.8 | -58.6 | -32.9 | 0 | 0 | 0 | 112.3 | D1537 D1541 | D1537-D1539 PolarHBondContact O-N 3.31Å; D1537-D1539 PolarHBondContact OD1-N 2.71Å; D1539-D1541 PolarHBondContact O-N 3.4Å |
| 1540 | F | 89.5 | Confident | 91.2 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.022 | 20% | 0.198 | C | C | . | . | trans | -73.8 | 113 | 177.1 | -167.4 | -79.1 | 0 | 0 | 0 | 111.8 | F1464 V1529 L1533 M1534 D1537 F1545 I1548 R1574 | F1464-F1540 HydrophobicContact CZ-CE2 4.49Å; V1529-F1540 HydrophobicContact CG1-CE2 4.48Å; V1529-F1540 HydrophobicContact CG1-CZ 4.13Å; V1529-F1540 HydrophobicContact CG2-CE2 4.45Å; L1533-F1540 HydrophobicContact CD2-CD2 3.96Å; L1533-F1540 HydrophobicContact CD2-CE2 3.76Å; L1533-F1540 HydrophobicContact CG-CD2 3.88Å; L1533-F1540 HydrophobicContact CG-CE2 4.12Å; M1534-F1540 HydrophobicContact CB-CD1 4.4Å; M1534-F1540 HydrophobicContact CB-CE1 4.31Å; M1534-F1540 HydrophobicContact CG-CD1 4.29Å; M1534-F1540 HydrophobicContact CG-CE1 3.75Å; M1534-F1540 HydrophobicContact CG-CZ 3.97Å; D1537-F1540 HydrophobicContact CB-CB 3.78Å; D1537-F1540 PolarHBondContact O-N 2.92Å; D1537-F1540 PolarHBondContact OD1-N 3.42Å; F1540-F1545 HydrophobicContact CE1-CB 3.88Å; F1540-F1545 HydrophobicContact CE1-CD1 4.13Å; F1540-F1545 HydrophobicContact CE1-CD2 4.38Å; F1540-F1545 AromaticContact CE1-CG 3.92Å; F1540-F1545 HydrophobicContact CE1-CG 3.92Å; F1540-F1545 HydrophobicContact CZ-CB 3.85Å; F1540-F1545 HydrophobicContact CZ-CD1 4.33Å; F1540-F1545 AromaticContact CZ-CD2 3.78Å; F1540-F1545 HydrophobicContact CZ-CD2 3.78Å; F1540-F1545 HydrophobicContact CZ-CE2 4.36Å; F1540-F1545 AromaticContact CZ-CG 3.76Å; F1540-F1545 HydrophobicContact CZ-CG 3.76Å; F1540-I1548 HydrophobicContact CE2-CD1 4.22Å; F1540-R1574 PolarHBondContact O-NH2 3.44Å; F1540-R1574 VanDerWaalsContact O-NH2 3.13Å | ||
| 1541 | D | 88.9 | Confident | 90.9 | Very high | 60 Ų | 60 | 36.2 Ų | 36.2 | 32% | 0.321 | 20% | 0.198 | S | C | . | . | trans | -129.9 | -178.7 | -171.6 | 91.6 | -51.1 | 0 | 0 | 0 | 112.7 | D1539 N1543 S1544 F1545 | D1539-D1541 PolarHBondContact O-N 3.4Å; D1541-N1543 VanDerWaalsContact C-N 3.33Å; D1541-N1543 VanDerWaalsContact CG-N 3.29Å; D1541-N1543 PolarHBondContact O-N 2.89Å; D1541-N1543 PolarHBondContact OD1-N 2.93Å; D1541-N1543 VanDerWaalsContact OD2-CB 3.28Å; D1541-N1543 WeakPolarHBondContact OD2-CB 3.3Å; D1541-N1543 PolarHBondContact OD2-N 3.37Å; D1541-N1543 PolarHBondContact OD2-ND2 2.88Å; D1541-S1544 PolarHBondContact N-OG 2.83Å; D1541-S1544 VanDerWaalsContact N-OG 3.07Å; D1541-S1544 PolarHBondContact O-OG 3.17Å; D1541-S1544 VanDerWaalsContact O-OG 3.14Å; D1541-S1544 VanDerWaalsContact OD1-CB 3.25Å; D1541-S1544 WeakPolarHBondContact OD1-CB 3.02Å; D1541-S1544 PolarHBondContact OD1-N 3.06Å; D1541-S1544 PolarHBondContact OD1-OG 3.39Å; D1541-F1545 VanDerWaalsContact O-CB 3.25Å; D1541-F1545 WeakPolarHBondContact O-CB 3.24Å; D1541-F1545 PolarHBondContact O-N 3.05Å; D1541-F1545 VanDerWaalsContact O-N 3.16Å | ||
| 1542 | A | 91.5 | Very high | 90.7 | Very high | 14 Ų | 14 | 39 Ų | 39 | 12% | 0.116 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.5 | -31.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1546 E1563 L1566 | A1542-A1546 VanDerWaalsContact O-CB 3.25Å; A1542-A1546 WeakPolarHBondContact O-CB 3.46Å; A1542-A1546 PolarHBondContact O-N 2.93Å; A1542-E1563 HydrophobicContact CB-CB 3.85Å; A1542-E1563 HydrophobicContact CB-CG 4.13Å; A1542-L1566 HydrophobicContact CB-CD2 4.08Å |
| 1543 | N | 90.7 | Very high | 90.5 | Very high | 97 Ų | 97 | 44.9 Ų | 44.9 | 52% | 0.519 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -76.9 | -48.9 | -176.5 | -62.9 | -74.6 | 0 | 0 | 0 | 111.9 | D1541 F1545 A1546 L1547 | D1541-N1543 VanDerWaalsContact C-N 3.33Å; D1541-N1543 VanDerWaalsContact CG-N 3.29Å; D1541-N1543 PolarHBondContact O-N 2.89Å; D1541-N1543 PolarHBondContact OD1-N 2.93Å; D1541-N1543 VanDerWaalsContact OD2-CB 3.28Å; D1541-N1543 WeakPolarHBondContact OD2-CB 3.3Å; D1541-N1543 PolarHBondContact OD2-N 3.37Å; D1541-N1543 PolarHBondContact OD2-ND2 2.88Å; N1543-F1545 VanDerWaalsContact C-N 3.3Å; N1543-F1545 PolarHBondContact O-N 3.04Å; N1543-A1546 PolarHBondContact O-N 2.95Å; N1543-L1547 WeakPolarHBondContact O-CG 3.03Å; N1543-L1547 PolarHBondContact O-N 3.44Å |
| 1544 | S | 91 | Very high | 90.3 | Very high | 36 Ų | 36 | 50 Ų | 50 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 172.4 | 52.8 | 0 | 0 | 0 | 0 | 111.3 | D1541 L1547 I1548 | D1541-S1544 PolarHBondContact N-OG 2.83Å; D1541-S1544 VanDerWaalsContact N-OG 3.07Å; D1541-S1544 PolarHBondContact O-OG 3.17Å; D1541-S1544 VanDerWaalsContact O-OG 3.14Å; D1541-S1544 VanDerWaalsContact OD1-CB 3.25Å; D1541-S1544 WeakPolarHBondContact OD1-CB 3.02Å; D1541-S1544 PolarHBondContact OD1-N 3.06Å; D1541-S1544 PolarHBondContact OD1-OG 3.39Å; S1544-L1547 WeakPolarHBondContact O-CB 3.3Å; S1544-L1547 PolarHBondContact O-N 3.31Å; S1544-I1548 WeakPolarHBondContact O-CD1 3.12Å; S1544-I1548 VanDerWaalsContact O-CG1 3.32Å; S1544-I1548 WeakPolarHBondContact O-CG1 3.28Å; S1544-I1548 PolarHBondContact O-N 2.69Å |
| 1545 | F | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 175.9 | -168.3 | -158.5 | 0 | 0 | 0 | 113.3 | V1508 W1511 L1512 L1524 V1529 M1534 F1540 D1541 N1543 L1547 I1548 L1549 L1562 L1566 | V1508-F1545 HydrophobicContact CG1-CZ 4.03Å; W1511-F1545 HydrophobicContact CH2-CE1 4.08Å; W1511-F1545 AromaticContact CZ3-CE1 3.69Å; W1511-F1545 HydrophobicContact CZ3-CE1 3.69Å; W1511-F1545 HydrophobicContact CZ3-CZ 4.02Å; L1512-F1545 HydrophobicContact CD1-CZ 4.32Å; L1512-F1545 HydrophobicContact CD2-CE1 4.5Å; L1512-F1545 HydrophobicContact CD2-CZ 4.23Å; L1524-F1545 HydrophobicContact CD1-CE2 3.95Å; L1524-F1545 HydrophobicContact CD1-CZ 4.31Å; L1524-F1545 HydrophobicContact CD2-CE2 4Å; V1529-F1545 HydrophobicContact CG1-CD2 4.48Å; V1529-F1545 HydrophobicContact CG1-CE2 3.87Å; V1529-F1545 HydrophobicContact CG1-CZ 4.45Å; M1534-F1545 HydrophobicContact CE-CE1 4.08Å; M1534-F1545 HydrophobicContact CE-CZ 4.42Å; F1540-F1545 HydrophobicContact CE1-CB 3.88Å; F1540-F1545 HydrophobicContact CE1-CD1 4.13Å; F1540-F1545 HydrophobicContact CE1-CD2 4.38Å; F1540-F1545 AromaticContact CE1-CG 3.92Å; F1540-F1545 HydrophobicContact CE1-CG 3.92Å; F1540-F1545 HydrophobicContact CZ-CB 3.85Å; F1540-F1545 HydrophobicContact CZ-CD1 4.33Å; F1540-F1545 AromaticContact CZ-CD2 3.78Å; F1540-F1545 HydrophobicContact CZ-CD2 3.78Å; F1540-F1545 HydrophobicContact CZ-CE2 4.36Å; F1540-F1545 AromaticContact CZ-CG 3.76Å; F1540-F1545 HydrophobicContact CZ-CG 3.76Å; D1541-F1545 VanDerWaalsContact O-CB 3.25Å; D1541-F1545 WeakPolarHBondContact O-CB 3.24Å; D1541-F1545 PolarHBondContact O-N 3.05Å; D1541-F1545 VanDerWaalsContact O-N 3.16Å; N1543-F1545 VanDerWaalsContact C-N 3.3Å; N1543-F1545 PolarHBondContact O-N 3.04Å; F1545-L1547 VanDerWaalsContact C-N 3.31Å; F1545-L1547 PolarHBondContact O-N 2.92Å; F1545-I1548 PolarHBondContact O-N 2.66Å; F1545-L1549 HydrophobicContact CD1-CD1 4.44Å; F1545-L1549 HydrophobicContact CD2-CD1 3.91Å; F1545-L1549 HydrophobicContact CD2-CG 4.1Å; F1545-L1549 HydrophobicContact CE1-CD1 4.4Å; F1545-L1549 HydrophobicContact CE2-CD1 3.83Å; F1545-L1549 HydrophobicContact CE2-CG 4.04Å; F1545-L1549 HydrophobicContact CG-CD1 4.23Å; F1545-L1549 HydrophobicContact CZ-CD1 4.09Å; F1545-L1549 WeakPolarHBondContact O-CB 3.49Å; F1545-L1549 WeakPolarHBondContact O-CG 3.22Å; F1545-L1549 PolarHBondContact O-N 3.31Å; F1545-L1562 HydrophobicContact CB-CD2 4.43Å; F1545-L1562 HydrophobicContact CD1-CD1 3.86Å; F1545-L1562 HydrophobicContact CD1-CD2 4.06Å; F1545-L1562 HydrophobicContact CD1-CG 4.22Å; F1545-L1562 HydrophobicContact CE1-CD1 3.8Å; F1545-L1562 HydrophobicContact CG-CD2 4.31Å; F1545-L1566 HydrophobicContact CD1-CD1 4.04Å; F1545-L1566 HydrophobicContact CD1-CD2 4.09Å; F1545-L1566 HydrophobicContact CE1-CD1 4.12Å |
| 1546 | A | 93.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.4 | -33.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1542 N1543 Q1550 I1551 R1559 L1562 | A1542-A1546 VanDerWaalsContact O-CB 3.25Å; A1542-A1546 WeakPolarHBondContact O-CB 3.46Å; A1542-A1546 PolarHBondContact O-N 2.93Å; N1543-A1546 PolarHBondContact O-N 2.95Å; A1546-Q1550 PolarHBondContact O-N 2.67Å; A1546-I1551 HydrophobicContact CB-CB 4.47Å; A1546-I1551 HydrophobicContact CB-CD1 4.35Å; A1546-I1551 PolarHBondContact O-N 2.9Å; A1546-R1559 HydrophobicContact CB-CG 4.18Å; A1546-L1562 HydrophobicContact CB-CD2 3.94Å |
| 1547 | L | 91.5 | Very high | 90.2 | Very high | 114 Ų | 114 | 63 Ų | 63 | 60% | 0.597 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68.1 | -45.3 | 173.1 | -71.1 | 168.5 | 0 | 0 | 0 | 111.6 | N1543 S1544 F1545 L1549 Q1550 | N1543-L1547 WeakPolarHBondContact O-CG 3.03Å; N1543-L1547 PolarHBondContact O-N 3.44Å; S1544-L1547 WeakPolarHBondContact O-CB 3.3Å; S1544-L1547 PolarHBondContact O-N 3.31Å; F1545-L1547 VanDerWaalsContact C-N 3.31Å; F1545-L1547 PolarHBondContact O-N 2.92Å; L1547-L1549 VanDerWaalsContact C-N 3.29Å; L1547-L1549 PolarHBondContact O-N 3.39Å; L1547-Q1550 WeakPolarHBondContact O-CA 3.37Å; L1547-Q1550 PolarHBondContact O-N 3.4Å |
| 1548 | I | 91.6 | Very high | 90.3 | Very high | 40 Ų | 40 | 65 Ų | 65 | 21% | 0.205 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 175.8 | -62.7 | 157.8 | 0 | 0 | 0 | 111 | F1464 L1524 V1529 F1540 S1544 F1545 Q1550 | F1464-I1548 HydrophobicContact CE1-CD1 3.91Å; F1464-I1548 HydrophobicContact CE2-CD1 4.07Å; F1464-I1548 HydrophobicContact CZ-CD1 3.4Å; F1464-I1548 VanDerWaalsContact CZ-CD1 3.4Å; F1464-I1548 HydrophobicContact CZ-CG1 4.41Å; L1524-I1548 HydrophobicContact CD2-CG2 3.87Å; V1529-I1548 HydrophobicContact CG2-CD1 4.09Å; V1529-I1548 HydrophobicContact CG2-CG2 3.81Å; F1540-I1548 HydrophobicContact CE2-CD1 4.22Å; S1544-I1548 WeakPolarHBondContact O-CD1 3.12Å; S1544-I1548 VanDerWaalsContact O-CG1 3.32Å; S1544-I1548 WeakPolarHBondContact O-CG1 3.28Å; S1544-I1548 PolarHBondContact O-N 2.69Å; F1545-I1548 PolarHBondContact O-N 2.66Å; I1548-Q1550 PolarHBondContact O-N 3.02Å |
| 1549 | L | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -7.7 | 173.9 | -74.9 | 167.4 | 0 | 0 | 0 | 114.1 | L1512 N1523 L1524 F1545 L1547 I1551 L1562 | L1512-L1549 HydrophobicContact CD1-CD1 4.33Å; L1512-L1549 HydrophobicContact CD1-CD2 3.56Å; L1512-L1549 HydrophobicContact CD2-CD1 3.99Å; N1523-L1549 PolarHBondContact ND2-O 3.33Å; L1524-L1549 HydrophobicContact CD1-CD2 4.32Å; L1524-L1549 HydrophobicContact CD2-CD2 3.57Å; L1524-L1549 HydrophobicContact CD2-CG 4.03Å; L1524-L1549 HydrophobicContact CG-CD2 3.67Å; F1545-L1549 HydrophobicContact CD1-CD1 4.44Å; F1545-L1549 HydrophobicContact CD2-CD1 3.91Å; F1545-L1549 HydrophobicContact CD2-CG 4.1Å; F1545-L1549 HydrophobicContact CE1-CD1 4.4Å; F1545-L1549 HydrophobicContact CE2-CD1 3.83Å; F1545-L1549 HydrophobicContact CE2-CG 4.04Å; F1545-L1549 HydrophobicContact CG-CD1 4.23Å; F1545-L1549 HydrophobicContact CZ-CD1 4.09Å; F1545-L1549 WeakPolarHBondContact O-CB 3.49Å; F1545-L1549 WeakPolarHBondContact O-CG 3.22Å; F1545-L1549 PolarHBondContact O-N 3.31Å; L1547-L1549 VanDerWaalsContact C-N 3.29Å; L1547-L1549 PolarHBondContact O-N 3.39Å; L1549-I1551 HydrophobicContact CB-CD1 4.07Å; L1549-I1551 HydrophobicContact CB-CG1 3.82Å; L1549-I1551 HydrophobicContact CD1-CD1 4.17Å; L1549-I1551 PolarHBondContact O-N 2.79Å; L1549-L1562 HydrophobicContact CD1-CD1 3.99Å; L1549-L1562 HydrophobicContact CD1-CD2 3.73Å |
| 1550 | Q | 92 | Very high | 91 | Very high | 135 Ų | 135 | 62 Ų | 62 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 33.3 | -176.3 | -50.2 | 177.3 | 5 | 0 | 0 | 113.2 | A1546 L1547 I1548 P1552 | A1546-Q1550 PolarHBondContact O-N 2.67Å; L1547-Q1550 WeakPolarHBondContact O-CA 3.37Å; L1547-Q1550 PolarHBondContact O-N 3.4Å; I1548-Q1550 PolarHBondContact O-N 3.02Å; Q1550-P1552 WeakPolarHBondContact O-CD 3.38Å |
| 1551 | I | 90.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | trans | -73.1 | 122.2 | 174.5 | -55.2 | 175.8 | 0 | 0 | 0 | 108.1 | L1517 Y1520 A1546 L1549 D1555 M1558 R1559 L1562 | L1517-I1551 HydrophobicContact CD1-CD1 4.33Å; Y1520-I1551 HydrophobicContact CD1-CG1 3.81Å; Y1520-I1551 HydrophobicContact CD2-CD1 4.43Å; Y1520-I1551 HydrophobicContact CD2-CG1 4.01Å; Y1520-I1551 HydrophobicContact CE1-CB 4.28Å; Y1520-I1551 HydrophobicContact CE1-CG1 4.03Å; Y1520-I1551 HydrophobicContact CE1-CG2 4.44Å; Y1520-I1551 HydrophobicContact CE2-CG1 4.2Å; Y1520-I1551 HydrophobicContact CE2-CG2 4.4Å; Y1520-I1551 HydrophobicContact CG-CG1 3.8Å; A1546-I1551 HydrophobicContact CB-CB 4.47Å; A1546-I1551 HydrophobicContact CB-CD1 4.35Å; A1546-I1551 PolarHBondContact O-N 2.9Å; L1549-I1551 HydrophobicContact CB-CD1 4.07Å; L1549-I1551 HydrophobicContact CB-CG1 3.82Å; L1549-I1551 HydrophobicContact CD1-CD1 4.17Å; L1549-I1551 PolarHBondContact O-N 2.79Å; I1551-D1555 HydrophobicContact CG2-CB 3.97Å; I1551-M1558 HydrophobicContact CG2-CB 4.17Å; I1551-R1559 HydrophobicContact CB-CG 4.38Å; I1551-R1559 HydrophobicContact CG2-CG 3.77Å; I1551-R1559 PolarHBondContact O-NE 2.9Å; I1551-R1559 PolarHBondContact O-NH2 3.31Å; I1551-L1562 HydrophobicContact CD1-CD2 4.04Å | ||
| 1552 | P | 89.9 | Confident | 91.4 | Very high | 59 Ų | 59 | 63.5 Ų | 63.5 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | trans | -55.9 | 148.7 | 179.4 | -26.8 | 36 | 0 | 0 | 0 | 112.7 | Y1520 Q1550 S1554 D1555 R1559 | Y1520-P1552 WeakPolarHBondContact OH-CD 3.4Å; Q1550-P1552 WeakPolarHBondContact O-CD 3.38Å; P1552-S1554 WeakPolarHBondContact CB-OG 3.37Å; P1552-S1554 PolarHBondContact O-N 3.39Å; P1552-D1555 HydrophobicContact CB-CB 4.48Å; P1552-D1555 PolarHBondContact O-N 2.85Å; P1552-R1559 PolarHBondContact O-NE 3.48Å; P1552-R1559 VanDerWaalsContact O-NE 3.1Å | ||
| 1553 | N | 88.8 | Confident | 91.4 | Very high | 124 Ų | 124 | 66.6 Ų | 66.6 | 66% | 0.663 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.9 | 174 | -70.8 | -7.1 | 0 | 0 | 0 | 112.5 | D1555 R1559 | N1553-D1555 VanDerWaalsContact C-N 3.34Å; N1553-R1559 VanDerWaalsContact OD1-CZ 3.23Å; N1553-R1559 PolarHBondContact OD1-NH2 3.4Å; N1553-R1559 VanDerWaalsContact OD1-NH2 3.09Å |
| 1554 | S | 89.5 | Confident | 91.5 | Very high | 109 Ų | 109 | 64.9 Ų | 64.9 | 76% | 0.762 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -20.9 | 171.8 | 50 | 0 | 0 | 0 | 0 | 113.9 | P1552 V1556 | P1552-S1554 WeakPolarHBondContact CB-OG 3.37Å; P1552-S1554 PolarHBondContact O-N 3.39Å; S1554-V1556 VanDerWaalsContact C-N 3.28Å; S1554-V1556 PolarHBondContact O-N 2.72Å; S1554-V1556 VanDerWaalsContact O-N 3.08Å |
| 1555 | D | 89.9 | Confident | 91.5 | Very high | 35 Ų | 35 | 65.6 Ų | 65.6 | 19% | 0.187 | 34% | 0.343 | C | S | . | . | trans | -89.2 | 66 | -179.3 | -167.9 | -7.7 | 0 | 0 | 0 | 110.9 | Y1520 I1551 P1552 N1553 Q1557 M1558 R1559 | Y1520-D1555 PolarHBondContact OH-OD2 3.46Å; I1551-D1555 HydrophobicContact CG2-CB 3.97Å; P1552-D1555 HydrophobicContact CB-CB 4.48Å; P1552-D1555 PolarHBondContact O-N 2.85Å; N1553-D1555 VanDerWaalsContact C-N 3.34Å; D1555-Q1557 PolarHBondContact O-N 3.48Å; D1555-M1558 VanDerWaalsContact CG-CG 3.45Å; D1555-M1558 PolarHBondContact O-N 2.84Å; D1555-M1558 WeakPolarHBondContact OD1-CB 3.27Å; D1555-M1558 VanDerWaalsContact OD1-CG 3.24Å; D1555-M1558 WeakPolarHBondContact OD1-CG 3.35Å; D1555-M1558 PolarHBondContact OD1-N 2.74Å; D1555-M1558 WeakPolarHBondContact OD2-CB 3.29Å; D1555-M1558 WeakPolarHBondContact OD2-CG 3.45Å; D1555-R1559 WeakPolarHBondContact O-CB 3.47Å; D1555-R1559 WeakPolarHBondContact O-CG 3.47Å; D1555-R1559 PolarHBondContact O-N 3.13Å | ||
| 1556 | V | 90.1 | Very high | 91.3 | Very high | 101 Ų | 101 | 65.7 Ų | 65.7 | 61% | 0.612 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.8 | -31.1 | -180 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | S1554 H1560 | S1554-V1556 VanDerWaalsContact C-N 3.28Å; S1554-V1556 PolarHBondContact O-N 2.72Å; S1554-V1556 VanDerWaalsContact O-N 3.08Å; V1556-H1560 VanDerWaalsContact O-CB 3.29Å; V1556-H1560 WeakPolarHBondContact O-CB 3.02Å; V1556-H1560 PolarHBondContact O-N 2.88Å |
| 1557 | Q | 90 | Very high | 91.1 | Very high | 169 Ų | 169 | 69.7 Ų | 69.7 | 79% | 0.79 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.7 | -48.7 | 179.3 | -69.3 | -169.8 | -9.5 | 0 | 0 | 111.8 | D1555 K1561 | D1555-Q1557 PolarHBondContact O-N 3.48Å; Q1557-K1561 WeakPolarHBondContact O-CB 3.34Å; Q1557-K1561 PolarHBondContact O-N 2.66Å |
| 1558 | M | 90.4 | Very high | 90.9 | Very high | 51 Ų | 51 | 70.9 Ų | 70.9 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.1 | -33.9 | 177.5 | -62.6 | -59.2 | -171 | 0 | 0 | 112 | L1517 Y1520 I1551 D1555 K1561 L1562 | L1517-M1558 HydrophobicContact CD2-CB 3.76Å; L1517-M1558 HydrophobicContact CD2-CG 3.94Å; L1517-M1558 HydrophobicContact CD2-SD 3.46Å; L1517-M1558 WeakPolarHBondContact CD2-SD 3.22Å; Y1520-M1558 HydrophobicContact CE2-CB 4.34Å; Y1520-M1558 HydrophobicContact CE2-CG 4.19Å; I1551-M1558 HydrophobicContact CG2-CB 4.17Å; D1555-M1558 VanDerWaalsContact CG-CG 3.45Å; D1555-M1558 PolarHBondContact O-N 2.84Å; D1555-M1558 WeakPolarHBondContact OD1-CB 3.27Å; D1555-M1558 VanDerWaalsContact OD1-CG 3.24Å; D1555-M1558 WeakPolarHBondContact OD1-CG 3.35Å; D1555-M1558 PolarHBondContact OD1-N 2.74Å; D1555-M1558 WeakPolarHBondContact OD2-CB 3.29Å; D1555-M1558 WeakPolarHBondContact OD2-CG 3.45Å; M1558-K1561 PolarHBondContact O-N 3.23Å; M1558-L1562 WeakPolarHBondContact O-CB 3.42Å; M1558-L1562 PolarHBondContact O-N 3.43Å |
| 1559 | R | 93 | Very high | 90.7 | Very high | 38 Ų | 38 | 69.4 Ų | 69.4 | 14% | 0.143 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.3 | -49.7 | 173.6 | -76.2 | 178.7 | 164.1 | -95.4 | -9 | 112.5 | A1546 I1551 P1552 N1553 D1555 K1561 L1562 E1563 | A1546-R1559 HydrophobicContact CB-CG 4.18Å; I1551-R1559 HydrophobicContact CB-CG 4.38Å; I1551-R1559 HydrophobicContact CG2-CG 3.77Å; I1551-R1559 PolarHBondContact O-NE 2.9Å; I1551-R1559 PolarHBondContact O-NH2 3.31Å; P1552-R1559 PolarHBondContact O-NE 3.48Å; P1552-R1559 VanDerWaalsContact O-NE 3.1Å; N1553-R1559 VanDerWaalsContact OD1-CZ 3.23Å; N1553-R1559 PolarHBondContact OD1-NH2 3.4Å; N1553-R1559 VanDerWaalsContact OD1-NH2 3.09Å; D1555-R1559 WeakPolarHBondContact O-CB 3.47Å; D1555-R1559 WeakPolarHBondContact O-CG 3.47Å; D1555-R1559 PolarHBondContact O-N 3.13Å; R1559-K1561 VanDerWaalsContact C-N 3.31Å; R1559-K1561 PolarHBondContact O-N 3.42Å; R1559-L1562 WeakPolarHBondContact O-CB 3.29Å; R1559-L1562 PolarHBondContact O-N 2.74Å; R1559-E1563 WeakPolarHBondContact O-CB 3.5Å; R1559-E1563 PolarHBondContact O-N 3.06Å |
| 1560 | H | 91 | Very high | 90.4 | Very high | 107 Ų | 107 | 69.7 Ų | 69.7 | 50% | 0.495 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.8 | -33.2 | 178 | -175.3 | 51.7 | 0 | 0 | 0 | 112.4 | V1556 E1563 C1564 | V1556-H1560 VanDerWaalsContact O-CB 3.29Å; V1556-H1560 WeakPolarHBondContact O-CB 3.02Å; V1556-H1560 PolarHBondContact O-N 2.88Å; H1560-E1563 IonicContact CE1-OE2 3.74Å; H1560-E1563 IonicContact CG-OE2 2.64Å; H1560-E1563 IonicContact ND1-OE2 3.1Å; H1560-E1563 PolarHBondContact ND1-OE2 3.14Å; H1560-E1563 PolarHBondContact O-N 3.42Å; H1560-C1564 VanDerWaalsContact CE1-SG 3.55Å; H1560-C1564 WeakPolarHBondContact O-CB 3.48Å; H1560-C1564 PolarHBondContact O-N 3.01Å; H1560-C1564 PolarHBondContact O-SG 2.77Å |
| 1561 | K | 91.7 | Very high | 89.7 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 173.5 | -164.1 | -176.6 | -165.5 | -171.2 | 0 | 112.2 | I1515 Q1557 M1558 R1559 E1565 | I1515-K1561 WeakPolarHBondContact O-CE 3.39Å; I1515-K1561 PolarHBondContact O-NZ 3.44Å; Q1557-K1561 WeakPolarHBondContact O-CB 3.34Å; Q1557-K1561 PolarHBondContact O-N 2.66Å; M1558-K1561 PolarHBondContact O-N 3.23Å; R1559-K1561 VanDerWaalsContact C-N 3.31Å; R1559-K1561 PolarHBondContact O-N 3.42Å; K1561-E1565 PolarHBondContact O-N 3.46Å |
| 1562 | L | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 173.8 | -178.8 | 68.7 | 0 | 0 | 0 | 110.8 | W1511 L1512 I1515 L1517 F1545 A1546 L1549 I1551 M1558 R1559 C1564 E1565 L1566 | W1511-L1562 HydrophobicContact CH2-CD1 4.06Å; W1511-L1562 HydrophobicContact CZ3-CD1 4.42Å; L1512-L1562 HydrophobicContact CD2-CD1 3.9Å; I1515-L1562 HydrophobicContact CD1-CD1 4.35Å; L1517-L1562 HydrophobicContact CD1-CB 4.03Å; L1517-L1562 HydrophobicContact CD1-CD1 3.8Å; L1517-L1562 HydrophobicContact CD1-CG 4.44Å; F1545-L1562 HydrophobicContact CB-CD2 4.43Å; F1545-L1562 HydrophobicContact CD1-CD1 3.86Å; F1545-L1562 HydrophobicContact CD1-CD2 4.06Å; F1545-L1562 HydrophobicContact CD1-CG 4.22Å; F1545-L1562 HydrophobicContact CE1-CD1 3.8Å; F1545-L1562 HydrophobicContact CG-CD2 4.31Å; A1546-L1562 HydrophobicContact CB-CD2 3.94Å; L1549-L1562 HydrophobicContact CD1-CD1 3.99Å; L1549-L1562 HydrophobicContact CD1-CD2 3.73Å; I1551-L1562 HydrophobicContact CD1-CD2 4.04Å; M1558-L1562 WeakPolarHBondContact O-CB 3.42Å; M1558-L1562 PolarHBondContact O-N 3.43Å; R1559-L1562 WeakPolarHBondContact O-CB 3.29Å; R1559-L1562 PolarHBondContact O-N 2.74Å; L1562-C1564 PolarHBondContact O-N 3.13Å; L1562-E1565 PolarHBondContact O-N 2.81Å; L1562-L1566 WeakPolarHBondContact O-CB 3.43Å; L1562-L1566 PolarHBondContact O-N 3.29Å |
| 1563 | E | 92.2 | Very high | 88.2 | Confident | 80 Ų | 80 | 71.8 Ų | 71.8 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -54.1 | -49.1 | 176.4 | 175.3 | -172.4 | -143.9 | 0 | 0 | 111.9 | A1542 R1559 H1560 N1567 | A1542-E1563 HydrophobicContact CB-CB 3.85Å; A1542-E1563 HydrophobicContact CB-CG 4.13Å; R1559-E1563 WeakPolarHBondContact O-CB 3.5Å; R1559-E1563 PolarHBondContact O-N 3.06Å; H1560-E1563 IonicContact CE1-OE2 3.74Å; H1560-E1563 IonicContact CG-OE2 2.64Å; H1560-E1563 IonicContact ND1-OE2 3.1Å; H1560-E1563 PolarHBondContact ND1-OE2 3.14Å; H1560-E1563 PolarHBondContact O-N 3.42Å; E1563-N1567 WeakPolarHBondContact CG-ND2 3.41Å; E1563-N1567 VanDerWaalsContact O-CB 3.27Å; E1563-N1567 WeakPolarHBondContact O-CB 3.05Å; E1563-N1567 PolarHBondContact O-N 2.76Å; E1563-N1567 PolarHBondContact O-ND2 3.05Å |
| 1564 | C | 91.9 | Very high | 87.2 | Confident | 61 Ų | 61 | 70.9 Ų | 70.9 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.9 | -50.2 | -179.7 | -71.3 | 0 | 0 | 0 | 0 | 112.6 | H1560 L1562 R1568 | H1560-C1564 VanDerWaalsContact CE1-SG 3.55Å; H1560-C1564 WeakPolarHBondContact O-CB 3.48Å; H1560-C1564 PolarHBondContact O-N 3.01Å; H1560-C1564 PolarHBondContact O-SG 2.77Å; L1562-C1564 PolarHBondContact O-N 3.13Å; C1564-R1568 WeakPolarHBondContact O-CB 3.49Å; C1564-R1568 PolarHBondContact O-N 2.96Å |
| 1565 | E | 91.4 | Very high | 85.4 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 24% | 0.238 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.1 | -31.7 | -178.6 | -71.2 | -69.3 | 159.3 | 0 | 0 | 112.7 | W1511 I1515 K1561 L1562 R1568 L1569 | W1511-E1565 HydrophobicContact CZ2-CB 3.84Å; I1515-E1565 HydrophobicContact CB-CG 4.33Å; I1515-E1565 HydrophobicContact CD1-CB 4.2Å; I1515-E1565 HydrophobicContact CG2-CB 4.06Å; I1515-E1565 HydrophobicContact CG2-CG 3.78Å; K1561-E1565 PolarHBondContact O-N 3.46Å; L1562-E1565 PolarHBondContact O-N 2.81Å; E1565-R1568 PolarHBondContact O-N 2.95Å; E1565-R1568 IonicContact OE1-NE 3.51Å; E1565-R1568 IonicContact OE1-NH2 2.62Å; E1565-R1568 IonicContact OE2-CZ 3.2Å; E1565-R1568 VanDerWaalsContact OE2-CZ 3.26Å; E1565-R1568 IonicContact OE2-NE 2.69Å; E1565-R1568 PolarHBondContact OE2-NE 3.03Å; E1565-R1568 IonicContact OE2-NH2 2.81Å; E1565-R1568 PolarHBondContact OE2-NH2 3.49Å; E1565-L1569 PolarHBondContact O-N 3.45Å; E1565-L1569 VanDerWaalsContact O-N 3.07Å |
| 1566 | L | 91.6 | Very high | 83.1 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -49.4 | 173.1 | -178.1 | 70.2 | 0 | 0 | 0 | 110.8 | M1534 A1542 F1545 L1562 R1568 L1569 L1570 | M1534-L1566 HydrophobicContact CE-CD1 3.47Å; M1534-L1566 VanDerWaalsContact CE-CD1 3.47Å; A1542-L1566 HydrophobicContact CB-CD2 4.08Å; F1545-L1566 HydrophobicContact CD1-CD1 4.04Å; F1545-L1566 HydrophobicContact CD1-CD2 4.09Å; F1545-L1566 HydrophobicContact CE1-CD1 4.12Å; L1562-L1566 WeakPolarHBondContact O-CB 3.43Å; L1562-L1566 PolarHBondContact O-N 3.29Å; L1566-R1568 PolarHBondContact O-N 2.85Å; L1566-L1569 PolarHBondContact O-N 2.85Å; L1566-L1569 VanDerWaalsContact O-N 3.08Å; L1566-L1570 HydrophobicContact CD1-CD1 3.89Å; L1566-L1570 HydrophobicContact CD1-CG 4.18Å; L1566-L1570 HydrophobicContact CD2-CD1 4.23Å; L1566-L1570 HydrophobicContact CG-CD1 3.75Å; L1566-L1570 HydrophobicContact CG-CG 4.28Å; L1566-L1570 WeakPolarHBondContact O-CB 3.35Å; L1566-L1570 WeakPolarHBondContact O-CG 3.41Å; L1566-L1570 PolarHBondContact O-N 3.35Å |
| 1567 | N | 88.8 | Confident | 80.2 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61 | -36.5 | 176.3 | -77.4 | -45.1 | 0 | 0 | 0 | 111.3 | E1563 L1569 L1570 H1571 | E1563-N1567 WeakPolarHBondContact CG-ND2 3.41Å; E1563-N1567 VanDerWaalsContact O-CB 3.27Å; E1563-N1567 WeakPolarHBondContact O-CB 3.05Å; E1563-N1567 PolarHBondContact O-N 2.76Å; E1563-N1567 PolarHBondContact O-ND2 3.05Å; N1567-L1569 VanDerWaalsContact C-N 3.32Å; N1567-L1569 PolarHBondContact O-N 3.41Å; N1567-L1570 PolarHBondContact O-N 2.74Å; N1567-H1571 WeakPolarHBondContact O-CB 3.45Å; N1567-H1571 PolarHBondContact O-N 3.13Å |
| 1568 | R | 87.3 | Confident | 77.5 | Confident | 139 Ų | 139 | 74.1 Ų | 74.1 | 53% | 0.525 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.8 | -32.7 | 174.6 | -162.4 | 174.7 | 74.3 | 85.1 | -1.9 | 113.3 | C1564 E1565 L1566 | C1564-R1568 WeakPolarHBondContact O-CB 3.49Å; C1564-R1568 PolarHBondContact O-N 2.96Å; E1565-R1568 PolarHBondContact O-N 2.95Å; E1565-R1568 IonicContact OE1-NE 3.51Å; E1565-R1568 IonicContact OE1-NH2 2.62Å; E1565-R1568 IonicContact OE2-CZ 3.2Å; E1565-R1568 VanDerWaalsContact OE2-CZ 3.26Å; E1565-R1568 IonicContact OE2-NE 2.69Å; E1565-R1568 PolarHBondContact OE2-NE 3.03Å; E1565-R1568 IonicContact OE2-NH2 2.81Å; E1565-R1568 PolarHBondContact OE2-NH2 3.49Å; L1566-R1568 PolarHBondContact O-N 2.85Å |
| 1569 | L | 88 | Confident | 74.5 | Confident | 10 Ų | 10 | 79.7 Ų | 79.7 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -78.2 | -36.6 | 172.6 | -73.5 | -175.4 | 0 | 0 | 0 | 113.4 | L1497 L1500 W1503 W1511 E1565 L1566 N1567 P1572 Y1573 | L1497-L1569 HydrophobicContact CB-CD2 4.09Å; L1497-L1569 HydrophobicContact CD2-CD2 4.33Å; L1500-L1569 HydrophobicContact CD2-CB 4.23Å; W1503-L1569 HydrophobicContact CH2-CD1 3.83Å; W1503-L1569 HydrophobicContact CH2-CD2 4.06Å; W1503-L1569 HydrophobicContact CZ3-CD1 4Å; W1511-L1569 HydrophobicContact CD2-CD1 3.95Å; W1511-L1569 VanDerWaalsContact CE2-CD1 3.45Å; W1511-L1569 HydrophobicContact CG-CD1 4.36Å; W1511-L1569 HydrophobicContact CH2-CD1 4.34Å; W1511-L1569 HydrophobicContact CZ2-CD1 3.65Å; W1511-L1569 HydrophobicContact CZ2-CG 4.41Å; E1565-L1569 PolarHBondContact O-N 3.45Å; E1565-L1569 VanDerWaalsContact O-N 3.07Å; L1566-L1569 PolarHBondContact O-N 2.85Å; L1566-L1569 VanDerWaalsContact O-N 3.08Å; N1567-L1569 VanDerWaalsContact C-N 3.32Å; N1567-L1569 PolarHBondContact O-N 3.41Å; L1569-P1572 WeakPolarHBondContact O-CD 3.45Å; L1569-Y1573 WeakPolarHBondContact O-CD2 3.15Å |
| 1570 | L | 86.5 | Confident | 71.6 | Confident | 6 Ų | 6 | 84 Ų | 84 | 3% | 0.031 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -85.3 | -21.1 | -174.7 | -66.7 | -179.6 | 0 | 0 | 0 | 113.9 | L1500 M1534 L1566 N1567 Y1573 R1574 | L1500-L1570 HydrophobicContact CD2-CD2 3.75Å; M1534-L1570 HydrophobicContact CB-CD2 4.45Å; M1534-L1570 WeakPolarHBondContact O-CD2 3.47Å; L1566-L1570 HydrophobicContact CD1-CD1 3.89Å; L1566-L1570 HydrophobicContact CD1-CG 4.18Å; L1566-L1570 HydrophobicContact CD2-CD1 4.23Å; L1566-L1570 HydrophobicContact CG-CD1 3.75Å; L1566-L1570 HydrophobicContact CG-CG 4.28Å; L1566-L1570 WeakPolarHBondContact O-CB 3.35Å; L1566-L1570 WeakPolarHBondContact O-CG 3.41Å; L1566-L1570 PolarHBondContact O-N 3.35Å; N1567-L1570 PolarHBondContact O-N 2.74Å; L1570-Y1573 PolarHBondContact O-N 3.39Å; L1570-R1574 HydrophobicContact CB-CG 4.49Å; L1570-R1574 PolarHBondContact O-N 2.78Å |
| 1571 | H | 77.5 | Confident | 68.7 | Low | 130 Ų | 130 | 85.2 Ų | 85.2 | 60% | 0.602 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -50.2 | -49.6 | -177.8 | -166.8 | 74.2 | 0 | 0 | 0 | 113.1 | N1567 Y1573 R1574 S1575 | N1567-H1571 WeakPolarHBondContact O-CB 3.45Å; N1567-H1571 PolarHBondContact O-N 3.13Å; H1571-Y1573 PolarHBondContact O-N 3.29Å; H1571-R1574 PolarHBondContact O-N 2.98Å; H1571-S1575 WeakPolarHBondContact O-CB 3.47Å; H1571-S1575 PolarHBondContact O-N 2.83Å; H1571-S1575 PolarHBondContact O-OG 2.98Å |
| 1572 | P | 76.8 | Confident | 66.1 | Low | 79 Ų | 79 | 86.3 Ų | 86.3 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.3 | -13.5 | -179.9 | -20 | 34.1 | 0 | 0 | 0 | 115.3 | L1569 | L1569-P1572 WeakPolarHBondContact O-CD 3.45Å |
| 1573 | Y | 72.9 | Confident | 62.9 | Low | 33 Ų | 33 | 97.4 Ų | 97.4 | 13% | 0.129 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -106 | -19.3 | -179.7 | -56.8 | -83 | 0 | 0 | 0 | 112.9 | D1499 L1500 V1535 L1569 L1570 H1571 | D1499-Y1573 WeakPolarHBondContact CA-OH 3.24Å; D1499-Y1573 PolarHBondContact N-OH 2.81Å; L1500-Y1573 HydrophobicContact CB-CE2 3.89Å; L1500-Y1573 PolarHBondContact N-OH 3.17Å; L1500-Y1573 VanDerWaalsContact N-OH 3.11Å; V1535-Y1573 HydrophobicContact CG1-CD1 3.82Å; V1535-Y1573 HydrophobicContact CG1-CE1 4.46Å; V1535-Y1573 HydrophobicContact CG1-CG 4.04Å; V1535-Y1573 HydrophobicContact CG2-CD2 4.44Å; V1535-Y1573 HydrophobicContact CG2-CG 4.4Å; L1569-Y1573 WeakPolarHBondContact O-CD2 3.15Å; L1570-Y1573 PolarHBondContact O-N 3.39Å; H1571-Y1573 PolarHBondContact O-N 3.29Å |
| 1574 | R | 67.5 | Low | 60.2 | Low | 106 Ų | 106 | 99.2 Ų | 99.2 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -108.5 | -12.2 | -179.2 | -62.9 | -171.6 | -178.2 | -122.9 | -4.6 | 113.8 | M1534 D1537 P1538 F1540 L1570 H1571 V1576 | M1534-R1574 PolarHBondContact O-NH2 2.99Å; D1537-R1574 PolarHBondContact O-NH2 2.83Å; P1538-R1574 PolarHBondContact O-NH1 3.4Å; F1540-R1574 PolarHBondContact O-NH2 3.44Å; F1540-R1574 VanDerWaalsContact O-NH2 3.13Å; L1570-R1574 HydrophobicContact CB-CG 4.49Å; L1570-R1574 PolarHBondContact O-N 2.78Å; H1571-R1574 PolarHBondContact O-N 2.98Å; R1574-V1576 VanDerWaalsContact C-N 3.32Å; R1574-V1576 PolarHBondContact O-N 2.86Å; R1574-V1576 VanDerWaalsContact O-N 3.07Å |
| 1575 | S | 50.1 | Low | 57.1 | Low | 64 Ų | 64 | 103.6 Ų | 103.6 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | trans | -84.7 | 48.9 | -172.5 | 70 | 0 | 0 | 0 | 0 | 115.4 | H1571 | H1571-S1575 WeakPolarHBondContact O-CB 3.47Å; H1571-S1575 PolarHBondContact O-N 2.83Å; H1571-S1575 PolarHBondContact O-OG 2.98Å | ||
| 1576 | V | 41.7 | Very low | 54.3 | Low | 78 Ų | 78 | 108.8 Ų | 108.8 | 47% | 0.473 | 57% | 0.571 | S | S | . | * | trans | -130.8 | 90.9 | 170.9 | 177 | 0 | 0 | 0 | 0 | 110.1 | R1574 A1595 | R1574-V1576 VanDerWaalsContact C-N 3.32Å; R1574-V1576 PolarHBondContact O-N 2.86Å; R1574-V1576 VanDerWaalsContact O-N 3.07Å; V1576-A1595 HydrophobicContact CB-CB 3.73Å; V1576-A1595 HydrophobicContact CG1-CB 4.16Å; V1576-A1595 HydrophobicContact CG2-CB 3.39Å | ||
| 1577 | N | 30.9 | Very low | 51.3 | Low | 155 Ų | 155 | 114.3 Ų | 114.3 | 83% | 0.829 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -174.3 | 21.6 | 157.6 | -102.3 | -33.4 | 0 | 0 | 0 | 113.6 | ||
| 1578 | Q | 32.1 | Very low | 48.4 | Very low | 185 Ų | 185 | 116.5 Ų | 116.5 | 86% | 0.864 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -138.6 | 138.9 | 176.5 | -64.8 | -169.6 | 9.4 | 0 | 0 | 112.1 | T1580 | Q1578-T1580 PolarHBondContact O-N 3.11Š|
| 1579 | N | 27.6 | Very low | 45.9 | Very low | 168 Ų | 168 | 116.5 Ų | 116.5 | 90% | 0.898 | 63% | 0.628 | S | S | * | * | trans | -62.5 | 119.4 | -165.8 | -57.3 | -42.6 | 0 | 0 | 0 | 115.2 | ||||
| 1580 | T | 33.2 | Very low | 43.3 | Very low | 127 Ų | 127 | 121.7 Ų | 121.7 | 78% | 0.779 | 66% | 0.655 | S | S | * | * | trans | -146.3 | 121.3 | 155.6 | 30.4 | 0 | 0 | 0 | 0 | 112.2 | Q1578 V1582 | Q1578-T1580 PolarHBondContact O-N 3.11Å; T1580-V1582 PolarHBondContact O-N 3.27Å | ||
| 1581 | S | 28.5 | Very low | 41.1 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 93% | 0.93 | 67% | 0.673 | S | S | * | * | trans | -88 | 94.8 | 168.4 | 167.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1582 | V | 36.8 | Very low | 39 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | -132.4 | 138.6 | 172.7 | -176 | 0 | 0 | 0 | 0 | 108.9 | T1580 | T1580-V1582 PolarHBondContact O-N 3.27Š| ||
| 1583 | R | 28.5 | Very low | 37.2 | Very low | 233 Ų | 233 | 124.9 Ų | 124.9 | 88% | 0.879 | 67% | 0.668 | S | S | * | * | trans | -77.9 | 128.2 | -173.5 | -65 | 178.6 | 177.4 | 179.4 | -2.4 | 111.7 | N1585 | R1583-N1585 PolarHBondContact O-N 3.22Š| ||
| 1584 | P | 34.8 | Very low | 35.3 | Very low | 119 Ų | 119 | 125 Ų | 125 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | trans | -83.9 | 97.6 | 173.1 | 32.5 | -32.2 | 0 | 0 | 0 | 111.3 | ||||
| 1585 | N | 26.7 | Very low | 33.8 | Very low | 152 Ų | 152 | 120.6 Ų | 120.6 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | trans | -109.9 | 88.6 | 160.1 | -94.6 | 17.7 | 0 | 0 | 0 | 108.4 | R1583 | R1583-N1585 PolarHBondContact O-N 3.22Š| ||
| 1586 | D | 32.2 | Very low | 33.1 | Very low | 160 Ų | 160 | 120.9 Ų | 120.9 | 86% | 0.856 | 66% | 0.664 | S | S | * | * | trans | -174.1 | 134.1 | 147.3 | -100.2 | -25.1 | 0 | 0 | 0 | 110.3 | I1588 | D1586-I1588 PolarHBondContact O-N 2.75Š| ||
| 1587 | S | 28.6 | Very low | 32.7 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | trans | -96.9 | 75.1 | -167.2 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1588 | I | 29.4 | Very low | 33.2 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 68% | 0.677 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -138 | 115.5 | 164.4 | -73.8 | 98 | 0 | 0 | 0 | 110.6 | D1586 | D1586-I1588 PolarHBondContact O-N 2.75Š|
| 1589 | M | 33.8 | Very low | 33.4 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 69% | 0.69 | 64% | 0.642 | S | S | * | * | trans | 61 | 132.6 | 169.6 | -62.3 | -63 | 178.4 | 0 | 0 | 117.7 | Y1591 | M1589-Y1591 HydrophobicContact CB-CD2 4.02Å; M1589-Y1591 HydrophobicContact CB-CE2 3.52Å; M1589-Y1591 WeakPolarHBondContact O-CD2 3.49Å; M1589-Y1591 PolarHBondContact O-N 3.41Å | ||
| 1590 | N | 34 | Very low | 33.5 | Very low | 118 Ų | 118 | 112.4 Ų | 112.4 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | trans | -84.6 | 73.6 | -177.1 | -174.7 | -8.8 | 0 | 0 | 0 | 111.5 | T1593 | N1590-T1593 PolarHBondContact ND2-OG1 3.41Å; N1590-T1593 PolarHBondContact OD1-OG1 2.79Å | ||
| 1591 | Y | 40.6 | Very low | 33.6 | Very low | 101 Ų | 101 | 110.1 Ų | 110.1 | 40% | 0.396 | 61% | 0.613 | S | S | . | * | trans | -68.8 | -33.2 | -176.5 | -70.9 | -74.8 | 0 | 0 | 0 | 113.7 | M1589 T1593 A1594 | M1589-Y1591 HydrophobicContact CB-CD2 4.02Å; M1589-Y1591 HydrophobicContact CB-CE2 3.52Å; M1589-Y1591 WeakPolarHBondContact O-CD2 3.49Å; M1589-Y1591 PolarHBondContact O-N 3.41Å; Y1591-T1593 PolarHBondContact O-N 3.13Å; Y1591-T1593 VanDerWaalsContact O-N 3.17Å; Y1591-A1594 WeakPolarHBondContact O-CB 3.33Å; Y1591-A1594 PolarHBondContact O-N 2.71Å | ||
| 1592 | D | 32.8 | Very low | 33.7 | Very low | 118 Ų | 118 | 111.2 Ų | 111.2 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.6 | -29.2 | -178.3 | -60.2 | -54.6 | 0 | 0 | 0 | 112.9 | A1594 A1595 S1596 | D1592-A1594 VanDerWaalsContact C-N 3.3Å; D1592-A1594 PolarHBondContact O-N 2.76Å; D1592-A1595 PolarHBondContact O-N 3.12Å; D1592-S1596 WeakPolarHBondContact O-CB 3.48Å; D1592-S1596 PolarHBondContact O-N 3.44Å |
| 1593 | T | 38.2 | Very low | 33.4 | Very low | 63 Ų | 63 | 112.9 Ų | 112.9 | 39% | 0.387 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.6 | -34.5 | 173.8 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | N1590 Y1591 A1595 W1597 | N1590-T1593 PolarHBondContact ND2-OG1 3.41Å; N1590-T1593 PolarHBondContact OD1-OG1 2.79Å; Y1591-T1593 PolarHBondContact O-N 3.13Å; Y1591-T1593 VanDerWaalsContact O-N 3.17Å; T1593-A1595 VanDerWaalsContact C-N 3.33Å; T1593-A1595 PolarHBondContact O-N 3.2Å; T1593-W1597 WeakPolarHBondContact O-CB 3.45Å; T1593-W1597 PolarHBondContact O-N 3.32Å |
| 1594 | A | 32.5 | Very low | 33.4 | Very low | 36 Ų | 36 | 105.9 Ų | 105.9 | 30% | 0.298 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.3 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1591 D1592 I1598 | Y1591-A1594 WeakPolarHBondContact O-CB 3.33Å; Y1591-A1594 PolarHBondContact O-N 2.71Å; D1592-A1594 VanDerWaalsContact C-N 3.3Å; D1592-A1594 PolarHBondContact O-N 2.76Å; A1594-I1598 WeakPolarHBondContact O-CD1 3.3Å; A1594-I1598 VanDerWaalsContact O-CG1 3.27Å; A1594-I1598 WeakPolarHBondContact O-CG1 3.19Å; A1594-I1598 PolarHBondContact O-N 3.48Å; A1594-I1598 VanDerWaalsContact O-N 3.08Å |
| 1595 | A | 37.8 | Very low | 32.9 | Very low | 14 Ų | 14 | 104.2 Ų | 104.2 | 12% | 0.116 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -81.3 | -40.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1576 D1592 T1593 W1597 I1598 A1599 | V1576-A1595 HydrophobicContact CB-CB 3.73Å; V1576-A1595 HydrophobicContact CG1-CB 4.16Å; V1576-A1595 HydrophobicContact CG2-CB 3.39Å; D1592-A1595 PolarHBondContact O-N 3.12Å; T1593-A1595 VanDerWaalsContact C-N 3.33Å; T1593-A1595 PolarHBondContact O-N 3.2Å; A1595-W1597 PolarHBondContact O-N 3.42Å; A1595-I1598 PolarHBondContact O-N 2.77Å; A1595-I1598 VanDerWaalsContact O-N 3.11Å; A1595-A1599 PolarHBondContact O-N 3.16Å; A1595-A1599 VanDerWaalsContact O-N 3.08Å |
| 1596 | S | 34.1 | Very low | 32.9 | Very low | 70 Ų | 70 | 100.3 Ų | 100.3 | 49% | 0.49 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -56 | -37.2 | 171.5 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | D1592 S1600 | D1592-S1596 WeakPolarHBondContact O-CB 3.48Å; D1592-S1596 PolarHBondContact O-N 3.44Å; S1596-S1600 PolarHBondContact O-N 2.7Å; S1596-S1600 PolarHBondContact O-OG 3.2Å |
| 1597 | W | 34.4 | Very low | 32.7 | Very low | 166 Ų | 166 | 96.9 Ų | 96.9 | 63% | 0.629 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -80.7 | -27.9 | 176.4 | -73 | 67.9 | 0 | 0 | 0 | 113.6 | T1593 A1595 A1599 S1600 V1601 | T1593-W1597 WeakPolarHBondContact O-CB 3.45Å; T1593-W1597 PolarHBondContact O-N 3.32Å; A1595-W1597 PolarHBondContact O-N 3.42Å; W1597-A1599 VanDerWaalsContact C-N 3.26Å; W1597-A1599 PolarHBondContact O-N 3.42Å; W1597-S1600 CarbonylContact O-C 3.57Å; W1597-S1600 PolarHBondContact O-N 3.2Å; W1597-V1601 WeakPolarHBondContact O-CG2 3.33Å; W1597-V1601 PolarHBondContact O-N 3.42Å |
| 1598 | I | 40.8 | Very low | 32.6 | Very low | 79 Ų | 79 | 92.4 Ų | 92.4 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 168.4 | -75.4 | 162.2 | 0 | 0 | 0 | 110.7 | A1594 A1595 S1600 | A1594-I1598 WeakPolarHBondContact O-CD1 3.3Å; A1594-I1598 VanDerWaalsContact O-CG1 3.27Å; A1594-I1598 WeakPolarHBondContact O-CG1 3.19Å; A1594-I1598 PolarHBondContact O-N 3.48Å; A1594-I1598 VanDerWaalsContact O-N 3.08Å; A1595-I1598 PolarHBondContact O-N 2.77Å; A1595-I1598 VanDerWaalsContact O-N 3.11Å; I1598-S1600 PolarHBondContact O-N 3.22Å |
| 1599 | A | 35.3 | Very low | 32.6 | Very low | 79 Ų | 79 | 94.3 Ų | 94.3 | 65% | 0.653 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -7.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1595 W1597 | A1595-A1599 PolarHBondContact O-N 3.16Å; A1595-A1599 VanDerWaalsContact O-N 3.08Å; W1597-A1599 VanDerWaalsContact C-N 3.26Å; W1597-A1599 PolarHBondContact O-N 3.42Å |
| 1600 | S | 31.6 | Very low | 32.2 | Very low | 84 Ų | 84 | 91.3 Ų | 91.3 | 59% | 0.587 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 3.7 | -176.1 | -53.5 | 0 | 0 | 0 | 0 | 113.9 | S1596 W1597 I1598 | S1596-S1600 PolarHBondContact O-N 2.7Å; S1596-S1600 PolarHBondContact O-OG 3.2Å; W1597-S1600 CarbonylContact O-C 3.57Å; W1597-S1600 PolarHBondContact O-N 3.2Å; I1598-S1600 PolarHBondContact O-N 3.22Å |
| 1601 | V | 34.9 | Very low | 31.8 | Very low | 79 Ų | 79 | 88.8 Ų | 88.8 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | trans | -96.6 | 96 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 109.2 | W1597 | W1597-V1601 WeakPolarHBondContact O-CG2 3.33Å; W1597-V1601 PolarHBondContact O-N 3.42Å | ||
| 1602 | E | 30 | Very low | 31.3 | Very low | 155 Ų | 155 | 91 Ų | 91 | 72% | 0.724 | 49% | 0.49 | S | S | * | . | trans | -57.3 | 147 | 153 | -74.6 | -176.8 | 123.9 | 0 | 0 | 109.2 | P1604 | E1602-P1604 VanDerWaalsContact O-CD 3.23Å; E1602-P1604 WeakPolarHBondContact O-CD 3.5Å | ||
| 1603 | R | 30.7 | Very low | 31 | Very low | 155 Ų | 155 | 92.5 Ų | 92.5 | 59% | 0.585 | 49% | 0.491 | S | S | * | . | trans | -55.7 | 122.8 | 166.2 | -88.4 | -173.2 | 178.2 | 174.5 | 3 | 107.8 | D389 E1605 | D389-R1603 IonicContact OD1-CZ 3.17Å; D389-R1603 IonicContact OD1-NH1 2.94Å; D389-R1603 PolarHBondContact OD1-NH1 3.19Å; R1603-E1605 VanDerWaalsContact C-N 3.26Å; R1603-E1605 PolarHBondContact O-N 2.81Å | ||
| 1604 | P | 28.7 | Very low | 30.5 | Very low | 87 Ų | 87 | 97 Ų | 97 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | trans | -69.2 | 96.8 | 156.1 | 29.4 | -29.5 | 0 | 0 | 0 | 106.4 | Y1470 E1602 | Y1470-P1604 VanDerWaalsContact OH-CG 3.31Å; Y1470-P1604 WeakPolarHBondContact OH-CG 3.38Å; E1602-P1604 VanDerWaalsContact O-CD 3.23Å; E1602-P1604 WeakPolarHBondContact O-CD 3.5Å | ||
| 1605 | E | 24.7 | Very low | 30.2 | Very low | 83 Ų | 83 | 101 Ų | 101 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | trans | -49.6 | 144 | 178.4 | -77 | -67.4 | -140 | 0 | 0 | 111.1 | E392 R1603 A1607 | E392-E1605 VanDerWaalsContact OE1-CB 3.29Å; E392-E1605 WeakPolarHBondContact OE1-CB 3.22Å; E392-E1605 VanDerWaalsContact OE1-CD 3.31Å; R1603-E1605 VanDerWaalsContact C-N 3.26Å; R1603-E1605 PolarHBondContact O-N 2.81Å; E1605-A1607 PolarHBondContact O-N 2.98Å | ||
| 1606 | P | 26.5 | Very low | 29.7 | Very low | 70 Ų | 70 | 103.3 Ų | 103.3 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | trans | -74.5 | 74.5 | -164.1 | 29.4 | -35.7 | 0 | 0 | 0 | 113 | R396 Y1608 | R396-P1606 PolarHBondContact NH1-O 3.33Å; P1606-Y1608 HydrophobicContact CG-CE2 4.22Å; P1606-Y1608 WeakPolarHBondContact O-CD2 3.22Å | ||
| 1607 | A | 27.7 | Very low | 29.5 | Very low | 89 Ų | 89 | 105.3 Ų | 105.3 | 74% | 0.736 | 56% | 0.559 | S | S | * | * | trans | 13.5 | 98.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | E1605 Y1609 | E1605-A1607 PolarHBondContact O-N 2.98Å; A1607-Y1609 PolarHBondContact O-N 2.72Å | ||
| 1608 | Y | 26.5 | Very low | 29.2 | Very low | 22 Ų | 22 | 102 Ų | 102 | 9% | 0.086 | 57% | 0.567 | C | S | . | * | trans | -90.6 | 72.8 | -177.8 | -82.4 | -132.2 | 0 | 0 | 0 | 112.7 | E392 R393 R396 R399 P1606 | E392-Y1608 VanDerWaalsContact C-OH 3.31Å; E392-Y1608 HydrophobicContact CG-CE1 4.11Å; E392-Y1608 HydrophobicContact CG-CE2 4.01Å; E392-Y1608 WeakPolarHBondContact O-CE1 3.48Å; E392-Y1608 PolarHBondContact O-OH 3.11Å; E392-Y1608 WeakPolarHBondContact OE1-CE2 3.39Å; E392-Y1608 VanDerWaalsContact OE2-CE2 3.24Å; E392-Y1608 WeakPolarHBondContact OE2-CE2 3.19Å; E392-Y1608 PolarHBondContact OE2-OH 2.85Å; R393-Y1608 WeakPolarHBondContact CA-OH 3.42Å; R393-Y1608 PolarHBondContact N-OH 2.97Å; R396-Y1608 VanDerWaalsContact CA-CE1 3.49Å; R396-Y1608 HydrophobicContact CB-CD1 3.52Å; R396-Y1608 HydrophobicContact CB-CE1 3.18Å; R396-Y1608 HydrophobicContact CG-CD1 3.43Å; R396-Y1608 VanDerWaalsContact CG-CD1 3.43Å; R396-Y1608 HydrophobicContact CG-CE1 3.49Å; R396-Y1608 VanDerWaalsContact CG-CE1 3.49Å; R396-Y1608 HydrophobicContact CG-CG 4.08Å; R396-Y1608 VanDerWaalsContact NH1-CD2 3.31Å; R396-Y1608 PolarHBondContact NH2-OH 3.15Å; R399-Y1608 VanDerWaalsContact CD-O 3.31Å; R399-Y1608 WeakPolarHBondContact CD-O 3.49Å; R399-Y1608 PolarHBondContact NH1-O 2.87Å; P1606-Y1608 HydrophobicContact CG-CE2 4.22Å; P1606-Y1608 WeakPolarHBondContact O-CD2 3.22Å | ||
| 1609 | Y | 29.8 | Very low | 28.7 | Very low | 172 Ų | 172 | 105 Ų | 105 | 68% | 0.675 | 58% | 0.583 | S | S | * | * | trans | -157.5 | 119.8 | 157.9 | -90.1 | -71.2 | 0 | 0 | 0 | 110 | R399 A1607 | R399-Y1609 HydrophobicContact CG-CD1 4.36Å; R399-Y1609 HydrophobicContact CG-CE1 3.82Å; R399-Y1609 VanDerWaalsContact NH1-CE2 3.29Å; A1607-Y1609 PolarHBondContact O-N 2.72Å | ||
| 1610 | E | 25.1 | Very low | 28.5 | Very low | 77 Ų | 77 | 104.4 Ų | 104.4 | 36% | 0.36 | 59% | 0.585 | S | S | . | * | trans | -138.6 | 141.9 | 165.7 | -170.5 | 166.9 | 175.4 | 0 | 0 | 107.7 | R1452 | R1452-E1610 WeakPolarHBondContact CD-OE1 3.26Å; R1452-E1610 IonicContact CZ-OE1 3.44Å; R1452-E1610 IonicContact NE-OE1 3.17Å; R1452-E1610 IonicContact NH1-OE1 2.71Å; R1452-E1610 PolarHBondContact NH1-OE1 2.88Å | ||
| 1611 | N | 26 | Very low | 28.4 | Very low | 65 Ų | 65 | 105 Ų | 105 | 35% | 0.348 | 59% | 0.588 | S | S | . | * | trans | 79.6 | 101.6 | -173.7 | -41.5 | -71.7 | 0 | 0 | 0 | 116.5 | Q403 | Q403-N1611 VanDerWaalsContact CD-O 3.23Å; Q403-N1611 HydrophobicContact CG-CB 4.45Å; Q403-N1611 WeakPolarHBondContact CG-O 3.25Å | ||
| 1612 | Q | 29 | Very low | 28.1 | Very low | 147 Ų | 147 | 107 Ų | 107 | 69% | 0.687 | 60% | 0.597 | S | S | * | * | -130.8 | 157.6 | 112.4 | -81.6 | -150.6 | -56.2 | 0 | 0 | 108.2 | Q403 D407 | Q403-Q1612 VanDerWaalsContact NE2-CD 3.35Å; D407-Q1612 PolarHBondContact OD1-NE2 3.44Å | |||
| 1613 | F | 26.3 | Very low | 28 | Very low | 151 Ų | 151 | 103.3 Ų | 103.3 | 66% | 0.662 | 59% | 0.588 | S | S | * | * | trans | -103.1 | 170.6 | -165 | -94 | -112.8 | 0 | 0 | 0 | 113.6 | ||||
| 1614 | E | 27.8 | Very low | 27.9 | Very low | 156 Ų | 156 | 100.8 Ų | 100.8 | 73% | 0.729 | 59% | 0.594 | S | S | * | * | trans | 49.8 | 95.1 | 147.1 | -72 | 163.1 | -163.7 | 0 | 0 | 118.3 | ||||
| 1615 | T | 26.8 | Very low | 27.8 | Very low | 121 Ų | 121 | 106.3 Ų | 106.3 | 74% | 0.742 | 61% | 0.605 | S | S | * | * | 60.1 | 97.6 | 93 | 61.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 1616 | G | 26.6 | Very low | 27.9 | Very low | 62 Ų | 62 | 113.3 Ų | 113.3 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | trans | -155.5 | 138.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1617 | D | 30.6 | Very low | 28 | Very low | 112 Ų | 112 | 114.6 Ų | 114.6 | 60% | 0.599 | 64% | 0.636 | S | S | * | * | trans | -75.9 | 153 | -166.1 | -74 | -35.6 | 0 | 0 | 0 | 113.7 | ||||
| 1618 | A | 27.4 | Very low | 28.1 | Very low | 97 Ų | 97 | 115.6 Ų | 115.6 | 80% | 0.802 | 64% | 0.637 | S | S | * | * | trans | -114.4 | 114.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1619 | L | 30.7 | Very low | 28 | Very low | 143 Ų | 143 | 120 Ų | 120 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | trans | -109.6 | 149.3 | 158.6 | -76.3 | 168.2 | 0 | 0 | 0 | 109.8 | ||||
| 1620 | G | 30.3 | Very low | 27.8 | Very low | 66 Ų | 66 | 117.7 Ų | 117.7 | 68% | 0.68 | 66% | 0.662 | S | S | * | * | trans | 135.3 | 97.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1621 | S | 31.1 | Very low | 27.7 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 66% | 0.664 | 68% | 0.68 | S | S | * | * | trans | -90 | 177 | 175.1 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1622 | D | 28.3 | Very low | 27.7 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 66% | 0.658 | 70% | 0.695 | S | S | * | * | trans | 71.1 | 153.7 | 160.1 | -61 | -58.8 | 0 | 0 | 0 | 119.7 | ||||
| 1623 | S | 27.7 | Very low | 27.5 | Very low | 76 Ų | 76 | 124.3 Ų | 124.3 | 53% | 0.531 | 69% | 0.691 | S | S | . | * | cis | 179.8 | 139.9 | -28.5 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1624 | S | 28.1 | Very low | 27.5 | Very low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | 154.7 | 119.7 | 149.4 | -170.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1625 | Y | 26 | Very low | 27.4 | Very low | 203 Ų | 203 | 126.8 Ų | 126.8 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | 55.3 | 139.4 | 65.9 | -75 | -82.4 | 0 | 0 | 0 | 112.4 | |||||
| 1626 | R | 27.4 | Very low | 27.4 | Very low | 231 Ų | 231 | 124.5 Ų | 124.5 | 87% | 0.872 | 70% | 0.696 | S | S | * | * | cis | -151.2 | -175.1 | 37.3 | -113.6 | -147 | 163.7 | 173.9 | -6 | 112 | ||||
| 1627 | P | 29 | Very low | 27.7 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 62% | 0.623 | 71% | 0.709 | S | S | * | * | trans | -125.7 | -169.4 | -147.7 | 46.9 | -35.6 | 0 | 0 | 0 | 115.8 | ||||
| 1628 | S | 29.3 | Very low | 27.5 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | -47.6 | 131.6 | 167.5 | -39.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1629 | T | 25.4 | Very low | 27.4 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | trans | -165.1 | 125 | 143.8 | 1.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1630 | Q | 24.3 | Very low | 27.2 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 58% | 0.579 | 72% | 0.717 | S | S | * | * | trans | 46.5 | 121.4 | 139.3 | -66.7 | 169.5 | 38.1 | 0 | 0 | 122.3 | N1389 | N1389-Q1630 PolarHBondContact ND2-NE2 3.15Å; N1389-Q1630 VanDerWaalsContact ND2-NE2 3.2Å | ||
| 1631 | Q | 24.3 | Very low | 27 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | 53.7 | 113.2 | 129.3 | -55.4 | 177.8 | 5.6 | 0 | 0 | 119.7 | |||||
| 1632 | H | 25.3 | Very low | 26.9 | Very low | 143 Ų | 143 | 141 Ų | 141 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | -167.1 | 130.9 | 101.9 | -99.9 | 66.8 | 0 | 0 | 0 | 108.7 | |||||
| 1633 | Q | 25.5 | Very low | 27.3 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 60% | 0.598 | 73% | 0.728 | S | S | * | * | 52.9 | 125.5 | 96.3 | -64.9 | -165 | 66.5 | 0 | 0 | 113.5 | |||||
| 1634 | R | 24.9 | Very low | 27.3 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | cis | -168.8 | 174.9 | 20.1 | -115.8 | 170.1 | -170.7 | -133.9 | 4.7 | 111.5 | ||||
| 1635 | H | 27.5 | Very low | 27.2 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | trans | 73.8 | 115 | 168.7 | -34.1 | 102.7 | 0 | 0 | 0 | 115.4 | ||||
| 1636 | G | 26 | Very low | 27.4 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | cis | 111.2 | 114.8 | -15.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1637 | I | 32.6 | Very low | 27.6 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 90% | 0.897 | 69% | 0.692 | S | S | * | * | trans | -136.9 | 127.4 | 155.3 | -81.9 | 168.4 | 0 | 0 | 0 | 107 | ||||
| 1638 | S | 25.6 | Very low | 27.8 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -115.1 | 140.4 | 172.4 | -51.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1639 | R | 26.5 | Very low | 28 | Very low | 241 Ų | 241 | 132.6 Ų | 132.6 | 91% | 0.909 | 70% | 0.697 | S | S | * | * | trans | -176.1 | 151.2 | 148.8 | -99.2 | 153 | -170 | -166.6 | 3.9 | 109.2 | ||||
| 1640 | N | 26.4 | Very low | 28.3 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | cis | 176.7 | 150 | -40.4 | -127.4 | -4 | 0 | 0 | 0 | 106 | ||||
| 1641 | I | 26.5 | Very low | 28.7 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | 69.1 | 144.6 | 156 | -62.5 | 161 | 0 | 0 | 0 | 115.6 | ||||
| 1642 | V | 28.2 | Very low | 29.6 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | cis | -169.4 | 159 | -36.8 | 111.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1643 | P | 37.4 | Very low | 30.2 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 71% | 0.714 | 72% | 0.718 | S | S | * | * | trans | -104.2 | -141.7 | -156.2 | 42.8 | -39 | 0 | 0 | 0 | 114.7 | ||||
| 1644 | I | 26.3 | Very low | 30.5 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 80% | 0.795 | 73% | 0.726 | S | S | * | * | trans | 104.3 | 123.2 | 175.6 | -60 | 163.1 | 0 | 0 | 0 | 112.8 | ||||
| 1645 | S | 27.2 | Very low | 31.1 | Very low | 54 Ų | 54 | 123.1 Ų | 123.1 | 38% | 0.378 | 72% | 0.723 | S | S | . | * | cis | -167.7 | 177.6 | -17.2 | 40.2 | 0 | 0 | 0 | 0 | 110.3 | T279 | T279-S1645 CarbonylContact O-C 3.6Å; T279-S1645 WeakPolarHBondContact O-CA 3.33Å; T279-S1645 WeakPolarHBondContact O-CB 3.45Å; T279-S1645 PolarHBondContact O-OG 3.03Å | ||
| 1646 | E | 30.3 | Very low | 31.2 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | -138.6 | 161 | -174.3 | 74.9 | 111.7 | 109.6 | 0 | 0 | 117.3 | T279 D280 | T279-E1646 VanDerWaalsContact C-C 3.48Å; T279-E1646 CarbonylContact C-O 3.49Å; T279-E1646 VanDerWaalsContact C-O 3.27Å; T279-E1646 WeakPolarHBondContact CA-O 3.47Å; T279-E1646 PolarHBondContact N-O 3.18Å; T279-E1646 PolarHBondContact O-N 3.46Å; T279-E1646 VanDerWaalsContact O-N 3.08Å; D280-E1646 VanDerWaalsContact N-C 3.35Å; D280-E1646 PolarHBondContact N-O 3.4Å | ||
| 1647 | S | 31.3 | Very low | 31.3 | Very low | 43 Ų | 43 | 130.5 Ų | 130.5 | 30% | 0.301 | 73% | 0.732 | S | S | . | * | trans | -170.8 | -164.3 | 174 | 110.2 | 0 | 0 | 0 | 0 | 111.3 | D280 | D280-S1647 WeakPolarHBondContact CB-OG 3.24Å; D280-S1647 WeakPolarHBondContact OD2-CB 3.35Å; D280-S1647 VanDerWaalsContact OD2-O 3.09Å; D280-S1647 PolarHBondContact OD2-OG 3.36Å | ||
| 1648 | S | 33.5 | Very low | 31.4 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 58% | 0.58 | 73% | 0.725 | S | S | * | * | -169.5 | 151.3 | -56.2 | 65.5 | 0 | 0 | 0 | 0 | 110.7 | D280 | D280-S1648 PolarHBondContact OD2-N 2.99Š| |||
| 1649 | N | 32.8 | Very low | 31.7 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 91% | 0.914 | 73% | 0.728 | S | S | * | * | trans | 158.8 | 140.9 | 152.5 | -94.3 | -70.3 | 0 | 0 | 0 | 111.5 | ||||
| 1650 | G | 32.1 | Very low | 31.8 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 73% | 0.729 | S | S | * | * | trans | -179.1 | -57.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1651 | A | 31.6 | Very low | 32.1 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 88% | 0.876 | 73% | 0.734 | S | S | * | * | trans | 74.9 | 155.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1652 | P | 44.4 | Very low | 32.2 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -133.7 | 179.9 | -164.6 | 44.1 | -26.3 | 0 | 0 | 0 | 117.2 | ||||
| 1653 | P | 37.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | -142.8 | 145.2 | 120.4 | 22.6 | -1.2 | 0 | 0 | 0 | 114.7 | |||||
| 1654 | I | 32.2 | Very low | 32 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | 79.4 | 139.8 | 55.4 | -65.7 | 168.2 | 0 | 0 | 0 | 112.5 | |||||
| 1655 | P | 37.2 | Very low | 32 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | cis | -143.3 | 161.4 | -5.3 | 38 | -16.8 | 0 | 0 | 0 | 121 | ||||
| 1656 | I | 30.3 | Very low | 32.2 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | 48.4 | 134.6 | 129.8 | -54.8 | 164.9 | 0 | 0 | 0 | 123.2 | |||||
| 1657 | R | 28.5 | Very low | 32.4 | Very low | 240 Ų | 240 | 138.2 Ų | 138.2 | 91% | 0.906 | 73% | 0.734 | S | S | * | * | 161.5 | 140.1 | 113.9 | -151.3 | 163.2 | -169.5 | 142.3 | 3.4 | 113 | |||||
| 1658 | A | 33.7 | Very low | 32.3 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | cis | -158.4 | 168.3 | -19.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1659 | Q | 31.7 | Very low | 32.2 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -81.9 | 170 | 175.1 | -56.5 | 171.6 | -37.8 | 0 | 0 | 114.2 | ||||
| 1660 | R | 28.8 | Very low | 32 | Very low | 243 Ų | 243 | 140.4 Ų | 140.4 | 92% | 0.917 | 75% | 0.753 | S | S | * | * | trans | -148 | 125.3 | 131.9 | -114.7 | 177.3 | -171.9 | 177.3 | 3 | 112.6 | ||||
| 1661 | N | 32.6 | Very low | 31.9 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | -122 | 131.8 | 175.2 | -108.1 | -9.4 | 0 | 0 | 0 | 109.5 | ||||
| 1662 | T | 29.6 | Very low | 31.7 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | trans | -165.2 | 131.9 | 175.3 | 32.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1663 | E | 30.3 | Very low | 30.9 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | cis | -147.3 | 149.6 | 17.2 | -68.7 | -150.8 | 117.2 | 0 | 0 | 114.1 | ||||
| 1664 | R | 30.2 | Very low | 30.4 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | 48.1 | 149.6 | 137.6 | -57.9 | 170.1 | -149.9 | -123 | 5.5 | 120.3 | ||||
| 1665 | R | 27.2 | Very low | 30.3 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | cis | -171.4 | 172.7 | -9.1 | -102.3 | -179.8 | 175.9 | -171 | -5.5 | 105.5 | ||||
| 1666 | Y | 30 | Very low | 29.8 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 71% | 0.71 | 75% | 0.753 | S | S | * | * | cis | -154.4 | -178 | 4.4 | -123.8 | -1.9 | 0 | 0 | 0 | 108.2 | ||||
| 1667 | P | 36 | Very low | 29.7 | Very low | 99 Ų | 99 | 145.1 Ų | 145.1 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | trans | -108.8 | -162.2 | -170.5 | 30.7 | -9.5 | 0 | 0 | 0 | 112.4 | ||||
| 1668 | T | 28.3 | Very low | 29.7 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.693 | 74% | 0.744 | S | S | * | * | cis | -172.6 | 165.3 | 33.2 | -27 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1669 | S | 31.5 | Very low | 29.6 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | 88.9 | 151.5 | 147.6 | -58.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1670 | T | 28.3 | Very low | 29.4 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | cis | 174.5 | 153.4 | -37.7 | -94.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1671 | S | 30.3 | Very low | 29.7 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 96.9 | 126.2 | 174.7 | -39.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1672 | Q | 26.8 | Very low | 29.9 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | cis | 100.9 | 154 | 29.6 | -76.4 | -165.4 | -1 | 0 | 0 | 114.6 | ||||
| 1673 | L | 28.6 | Very low | 29.9 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | trans | 78.2 | 106.4 | -178.2 | -50.1 | 176.8 | 0 | 0 | 0 | 113 | ||||
| 1674 | T | 27.3 | Very low | 29.7 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | cis | 78.3 | 127.3 | 36.7 | -45.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1675 | V | 29.2 | Very low | 29.6 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | 155 | 117.6 | 138.3 | 161.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1676 | N | 27 | Very low | 29.5 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | 37.4 | 120.6 | 141.9 | -54.3 | -7.7 | 0 | 0 | 0 | 120.7 | ||||
| 1677 | S | 28 | Very low | 29.4 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | 85 | 127.9 | 67.8 | -61.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1678 | Q | 29.4 | Very low | 29 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | 172.8 | 147 | 118.3 | -96.8 | -178.8 | 0.6 | 0 | 0 | 115.4 | |||||
| 1679 | N | 31.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | trans | 67.1 | 88.6 | 143.7 | -57.5 | -10.3 | 0 | 0 | 0 | 123.3 | ||||
| 1680 | Q | 27.3 | Very low | 28.7 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | 75.4 | 155.6 | 119.4 | -70.6 | -177.1 | 4 | 0 | 0 | 123.1 | |||||
| 1681 | P | 35.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -119.2 | -149.6 | -174.8 | 45.6 | -27.9 | 0 | 0 | 0 | 110.5 | ||||
| 1682 | P | 36.6 | Very low | 28.7 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | cis | -135.4 | -157.6 | -9.9 | 29.6 | -3.2 | 0 | 0 | 0 | 114.1 | ||||
| 1683 | L | 28.8 | Very low | 28.8 | Very low | 152 Ų | 152 | 143 Ų | 143 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 98.7 | 103.4 | 155.2 | -61.9 | 170 | 0 | 0 | 0 | 121.5 | ||||
| 1684 | N | 26.6 | Very low | 28.6 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | 74.6 | 141.3 | 116.9 | -127.6 | 4.2 | 0 | 0 | 0 | 124.6 | |||||
| 1685 | A | 28 | Very low | 28.6 | Very low | 69 Ų | 69 | 147.5 Ų | 147.5 | 57% | 0.57 | 77% | 0.765 | S | S | * | * | trans | 71.9 | 105.4 | 147.5 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1686 | N | 25.1 | Very low | 28.5 | Very low | 150 Ų | 150 | 147 Ų | 147 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | 74.4 | 159.8 | 125 | -60.8 | -13.8 | 0 | 0 | 0 | 123.4 | |||||
| 1687 | L | 26.9 | Very low | 28.6 | Very low | 159 Ų | 159 | 144 Ų | 144 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 77.6 | 90.6 | 160.2 | -72.3 | 141.6 | 0 | 0 | 0 | 120.4 | ||||
| 1688 | S | 27.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | 38.6 | 101.8 | 114.8 | -48.5 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1689 | R | 27.7 | Very low | 28.6 | Very low | 239 Ų | 239 | 144 Ų | 144 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -160.3 | 126.5 | 143.5 | -94.4 | 145.8 | -169.3 | 164.4 | 4.8 | 105.8 | ||||
| 1690 | N | 25.7 | Very low | 28.5 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | cis | 68.1 | 92.7 | 42.5 | -156.1 | -0.9 | 0 | 0 | 0 | 112.8 | ||||
| 1691 | L | 29.7 | Very low | 28.4 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 171 | 109.4 | 171.6 | -96.1 | 158.2 | 0 | 0 | 0 | 104.9 | Y1693 | L1691-Y1693 HydrophobicContact CD2-CD2 4.01Å; L1691-Y1693 HydrophobicContact CD2-CE2 3.95Å | ||
| 1692 | Q | 29.6 | Very low | 28 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | cis | 64.2 | 58.4 | 48.2 | -73.3 | -162.3 | -19.6 | 0 | 0 | 116.4 | ||||
| 1693 | Y | 28.5 | Very low | 27.6 | Very low | 188 Ų | 188 | 147.5 Ų | 147.5 | 74% | 0.737 | 77% | 0.773 | S | S | * | * | trans | -156 | 144.5 | 158.4 | -88.8 | -92 | 0 | 0 | 0 | 109 | L1691 | L1691-Y1693 HydrophobicContact CD2-CD2 4.01Å; L1691-Y1693 HydrophobicContact CD2-CE2 3.95Å | ||
| 1694 | R | 25.4 | Very low | 27.4 | Very low | 212 Ų | 212 | 144.5 Ų | 144.5 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | cis | -166 | 162.4 | -26.1 | -145.1 | -176.1 | -169 | 171.6 | 3.2 | 109.7 | ||||
| 1695 | N | 26.6 | Very low | 27.3 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -56.7 | 143.4 | -178.1 | -43 | -4.7 | 0 | 0 | 0 | 115.9 | ||||
| 1696 | A | 26.4 | Very low | 27.3 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 88% | 0.884 | 76% | 0.756 | S | S | * | * | trans | 171.7 | 139.9 | 136.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1697 | G | 31 | Very low | 27.3 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | cis | -131.7 | 165.8 | -14.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1698 | M | 25.8 | Very low | 27.3 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | 70.8 | 70.5 | 52 | -62.8 | -127.9 | 69.9 | 0 | 0 | 114.6 | D1700 | M1698-D1700 HydrophobicContact CE-CB 4.2Å; M1698-D1700 WeakPolarHBondContact CE-OD2 3.33Å | |||
| 1699 | C | 30.9 | Very low | 27.2 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | -139.4 | 127.9 | 119.4 | -74.2 | 0 | 0 | 0 | 0 | 104.5 | |||||
| 1700 | D | 28.4 | Very low | 27.2 | Very low | 116 Ų | 116 | 141 Ų | 141 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | cis | 49.8 | 83.2 | 17.8 | -73.1 | 8.6 | 0 | 0 | 0 | 112.3 | M1698 | M1698-D1700 HydrophobicContact CE-CB 4.2Å; M1698-D1700 WeakPolarHBondContact CE-OD2 3.33Å | ||
| 1701 | D | 26.9 | Very low | 27.4 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | -176.7 | 132.8 | 110.8 | -99.3 | -38.8 | 0 | 0 | 0 | 114 | |||||
| 1702 | N | 24.9 | Very low | 27.4 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 65% | 0.647 | 72% | 0.723 | S | S | * | * | trans | 24.1 | 97 | 139.3 | -63 | -67.7 | 0 | 0 | 0 | 119.9 | ||||
| 1703 | Y | 28.8 | Very low | 27.5 | Very low | 222 Ų | 222 | 136.8 Ų | 136.8 | 87% | 0.871 | 72% | 0.723 | S | S | * | * | trans | -136.1 | 55.2 | 147.9 | -92.3 | -72.4 | 0 | 0 | 0 | 112.6 | ||||
| 1704 | S | 25.5 | Very low | 27.6 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 63% | 0.629 | 72% | 0.717 | S | S | * | * | trans | -73.1 | 151.9 | 136.2 | 54.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1705 | F | 23.6 | Very low | 28 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 50% | 0.496 | 71% | 0.711 | S | S | . | * | trans | 74.8 | 132.2 | -153.5 | -67.8 | -99.6 | 0 | 0 | 0 | 111.9 | D170 L172 | D170-F1705 HydrophobicContact CB-CE1 4.27Å; L172-F1705 HydrophobicContact CD1-CE2 4.39Å; L172-F1705 HydrophobicContact CD1-CZ 4.02Å; L172-F1705 HydrophobicContact CD2-CE2 3.84Å; L172-F1705 HydrophobicContact CD2-CZ 3.64Å; L172-F1705 HydrophobicContact CG-CE2 4.39Å; L172-F1705 HydrophobicContact CG-CZ 3.81Å | ||
| 1706 | L | 28.1 | Very low | 28.3 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | cis | -115.2 | 166.2 | 9 | -90.8 | 166.1 | 0 | 0 | 0 | 114.3 | D170 | D170-L1706 WeakPolarHBondContact OD2-CD2 3.17Š| ||
| 1707 | H | 25.8 | Very low | 28.8 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | trans | -91.1 | 167.4 | -174.9 | -124.7 | -99.1 | 0 | 0 | 0 | 113 | ||||
| 1708 | N | 26 | Very low | 28.9 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | trans | 71.1 | 138.9 | 157.5 | -55.4 | -21.4 | 0 | 0 | 0 | 118.2 | ||||
| 1709 | E | 25.9 | Very low | 29.1 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 66% | 0.659 | 70% | 0.703 | S | S | * | * | cis | -140.7 | 145.2 | -11 | -73 | -151.4 | 134 | 0 | 0 | 111.2 | S1711 | E1709-S1711 VanDerWaalsContact CD-OG 3.31Å; E1709-S1711 PolarHBondContact O-N 3.34Å; E1709-S1711 WeakPolarHBondContact OE2-CB 3.15Å; E1709-S1711 PolarHBondContact OE2-OG 2.7Å | ||
| 1710 | P | 27.7 | Very low | 29 | Very low | 139 Ų | 139 | 148 Ų | 148 | 90% | 0.903 | 72% | 0.724 | S | S | * | * | trans | -87.9 | 48 | 161.3 | 37.1 | -33.9 | 0 | 0 | 0 | 112.1 | ||||
| 1711 | S | 29.3 | Very low | 29.1 | Very low | 63 Ų | 63 | 149.6 Ų | 149.6 | 44% | 0.441 | 73% | 0.729 | S | S | . | * | trans | -101.3 | 154.8 | 176.6 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | E1709 | E1709-S1711 VanDerWaalsContact CD-OG 3.31Å; E1709-S1711 PolarHBondContact O-N 3.34Å; E1709-S1711 WeakPolarHBondContact OE2-CB 3.15Å; E1709-S1711 PolarHBondContact OE2-OG 2.7Å | ||
| 1712 | Q | 30.8 | Very low | 29.2 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 98.1 | -56.4 | 173.2 | -57.4 | -74.8 | 5.7 | 0 | 0 | 117.1 | E1714 R1715 | Q1712-E1714 PolarHBondContact O-N 3.46Å; Q1712-R1715 PolarHBondContact O-N 3.08Å |
| 1713 | L | 30.7 | Very low | 29.4 | Very low | 154 Ų | 154 | 151.9 Ų | 151.9 | 81% | 0.806 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -66.5 | -42.3 | -162.9 | -139.3 | 76.6 | 0 | 0 | 0 | 114.7 | R1715 R1716 | L1713-R1715 PolarHBondContact O-N 3.23Å; L1713-R1716 PolarHBondContact O-N 3.38Å |
| 1714 | E | 30.6 | Very low | 29.4 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 61% | 0.612 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -60.1 | -20.6 | 180 | -78 | -161.9 | 89.6 | 0 | 0 | 114.7 | Q1712 R1716 K1718 | Q1712-E1714 PolarHBondContact O-N 3.46Å; E1714-R1716 PolarHBondContact O-N 3.41Å; E1714-K1718 IonicContact OE1-NZ 3.53Å; E1714-K1718 PolarHBondContact OE1-NZ 2.85Å |
| 1715 | R | 33.6 | Very low | 29.7 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -75.3 | -5 | -178 | -62.4 | -170.4 | -173.3 | -159.4 | 3.9 | 113.6 | Q1712 L1713 | Q1712-R1715 PolarHBondContact O-N 3.08Å; L1713-R1715 PolarHBondContact O-N 3.23Å |
| 1716 | R | 33.6 | Very low | 30.1 | Very low | 232 Ų | 232 | 154 Ų | 154 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -104.5 | -15.5 | 179 | -90.3 | -175.4 | 164.8 | 174.4 | -3.5 | 116.2 | L1713 E1714 | L1713-R1716 PolarHBondContact O-N 3.38Å; E1714-R1716 PolarHBondContact O-N 3.41Å |
| 1717 | L | 37.1 | Very low | 30.2 | Very low | 144 Ų | 144 | 155.3 Ų | 155.3 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -19.3 | -179.1 | -77.5 | 164.3 | 0 | 0 | 0 | 114.5 | K1719 | L1717-K1719 PolarHBondContact O-N 3.31Š|
| 1718 | K | 33.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 155.8 Ų | 155.8 | 57% | 0.57 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -82.3 | 40.9 | 176.7 | -77 | 164.6 | 176.7 | 155.3 | 0 | 113.4 | E1714 | E1714-K1718 IonicContact OE1-NZ 3.53Å; E1714-K1718 PolarHBondContact OE1-NZ 2.85Å |
| 1719 | K | 28.5 | Very low | 31 | Very low | 190 Ų | 190 | 158 Ų | 158 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -154.9 | 67.2 | 172.1 | -86.2 | -160.6 | 175.9 | -174.2 | 0 | 112.6 | L1717 | L1717-K1719 PolarHBondContact O-N 3.31Š| ||
| 1720 | N | 30 | Very low | 31.4 | Very low | 238 Ų | 238 | 159.5 Ų | 159.5 | 100% | 1.273 | 77% | 0.769 | S | S | * | * | trans | -167.5 | 0 | 146.8 | -95.7 | -21.8 | 0 | 0 | 0 | 108.7 |
Retrieved 1,720 of 1,720 residues in 697.2 ms
(Link to these results)