| 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 | 36.1 | Very low | 35.4 | Very low | 240 Ų | 240 | 141.8 Ų | 141.8 | 100% | 1.182 | 82% | 0.823 | S | S | * | * | 0 | 122.5 | 0 | -66.9 | -176.4 | -158.7 | 0 | 0 | 107.5 | |||||
| 2 | S | 38 | Very low | 35.8 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | trans | 14.1 | 143.3 | 161.3 | 62 | 0 | 0 | 0 | 0 | 120 | ||||
| 3 | N | 36.9 | Very low | 36.1 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 74% | 0.743 | 82% | 0.824 | S | S | * | * | cis | -176.5 | 147.8 | 2 | -108.5 | -13.5 | 0 | 0 | 0 | 107.9 | ||||
| 4 | L | 36.8 | Very low | 36.1 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 74% | 0.743 | 83% | 0.828 | S | S | * | * | trans | 58 | 117.6 | 146.1 | -77.6 | 94.7 | 0 | 0 | 0 | 124 | ||||
| 5 | S | 36 | Very low | 36.5 | Very low | 92 Ų | 92 | 150.3 Ų | 150.3 | 64% | 0.643 | 83% | 0.831 | S | S | * | * | 53 | 137.9 | 110 | 128.5 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 6 | K | 35.4 | Very low | 36.3 | Very low | 201 Ų | 201 | 151.9 Ų | 151.9 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | cis | -173.7 | 147 | 24.7 | -113.6 | 172.4 | -175.9 | 179.8 | 0 | 108.8 | ||||
| 7 | G | 30.7 | Very low | 36.6 | Very low | 67 Ų | 67 | 157.6 Ų | 157.6 | 69% | 0.691 | 84% | 0.839 | S | S | * | * | trans | 82 | 112.6 | 134.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 8 | T | 34.2 | Very low | 37 | Very low | 151 Ų | 151 | 157.1 Ų | 157.1 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | 176.7 | 137.6 | 104.9 | 34.8 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 9 | G | 30.7 | Very low | 37.2 | Very low | 83 Ų | 83 | 161.1 Ų | 161.1 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | trans | -82.6 | 163.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 10 | S | 37.8 | Very low | 37.4 | Very low | 118 Ų | 118 | 158 Ų | 158 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | -139.5 | 114.2 | 162.9 | 172.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 11 | R | 37.5 | Very low | 37.8 | Very low | 224 Ų | 224 | 158.9 Ų | 158.9 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | trans | -64.7 | 132.8 | 169.7 | -83.2 | 173.9 | 165.6 | 163.3 | -5.4 | 109 | D13 | R11-D13 PolarHBondContact O-N 3.46Š| ||
| 12 | K | 39.3 | Very low | 38.4 | Very low | 211 Ų | 211 | 152.2 Ų | 152.2 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -75.6 | 98.1 | 165.1 | -83.2 | -178.9 | 173.6 | 177.4 | 0 | 108.7 | ||||
| 13 | D | 40.3 | Very low | 39.2 | Very low | 139 Ų | 139 | 156 Ų | 156 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | -76.8 | 130.3 | 171.2 | -82.9 | -34.3 | 0 | 0 | 0 | 111.7 | R11 K15 | R11-D13 PolarHBondContact O-N 3.46Å; D13-K15 PolarHBondContact O-N 3.14Å; D13-K15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | T | 36.1 | Very low | 40.4 | Very low | 143 Ų | 143 | 155 Ų | 155 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -66.4 | 94.5 | 175.2 | -34.1 | 0 | 0 | 0 | 0 | 109.9 | M16 | T14-M16 PolarHBondContact O-N 3.32Š| ||
| 15 | K | 41.7 | Very low | 42 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -73.8 | 107 | 174 | -95.9 | -176.8 | 177 | 177.7 | 0 | 111.1 | D13 R17 | D13-K15 PolarHBondContact O-N 3.14Å; D13-K15 VanDerWaalsContact O-N 3.09Å; K15-R17 PolarHBondContact O-N 3.38Å | ||
| 16 | M | 34.1 | Very low | 44.2 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -49.5 | 122 | 162 | -136.4 | 175.1 | -158.1 | 0 | 0 | 109.8 | T14 I18 | T14-M16 PolarHBondContact O-N 3.32Å; M16-I18 PolarHBondContact O-N 3.24Å; M16-I18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | R | 40.9 | Very low | 46.5 | Very low | 249 Ų | 249 | 147.5 Ų | 147.5 | 94% | 0.94 | 77% | 0.774 | S | S | * | * | trans | -71.3 | 99.3 | 171.1 | -99 | -179.7 | 170.8 | 174.7 | -2.9 | 108.8 | K15 R19 | K15-R17 PolarHBondContact O-N 3.38Å; R17-R19 PolarHBondContact O-N 3.07Å | ||
| 18 | I | 44.5 | Very low | 49.1 | Very low | 149 Ų | 149 | 152 Ų | 152 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 121.3 | 164.6 | -60.8 | 173.8 | 0 | 0 | 0 | 106.9 | M16 A20 | M16-I18 PolarHBondContact O-N 3.24Å; M16-I18 VanDerWaalsContact O-N 3.11Å; I18-A20 PolarHBondContact O-N 3.26Å |
| 19 | R | 40.8 | Very low | 51.7 | Low | 232 Ų | 232 | 150.7 Ų | 150.7 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 130.6 | 170.8 | -80.9 | -179.4 | 174 | 178.5 | -2.1 | 108.6 | R17 F21 | R17-R19 PolarHBondContact O-N 3.07Å; R19-F21 PolarHBondContact O-N 2.92Å |
| 20 | A | 40 | Very low | 54.5 | Low | 100 Ų | 100 | 146.8 Ų | 146.8 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 126 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | I18 | I18-A20 PolarHBondContact O-N 3.26Š|
| 21 | F | 45.8 | Very low | 57.1 | Low | 177 Ų | 177 | 144.1 Ų | 144.1 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 139.9 | 167.6 | -85.7 | -95.6 | 0 | 0 | 0 | 108.9 | R19 M23 | R19-F21 PolarHBondContact O-N 2.92Å; F21-M23 PolarHBondContact O-N 3.44Å; F21-M23 VanDerWaalsContact O-N 3.16Å |
| 22 | P | 48.6 | Very low | 59.7 | Low | 99 Ų | 99 | 136.2 Ų | 136.2 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 123.5 | 177.2 | 23.2 | -29.8 | 0 | 0 | 0 | 109 | T24 | P22-T24 PolarHBondContact O-N 3.48Å; P22-T24 VanDerWaalsContact O-N 3.16Å |
| 23 | M | 54.3 | Low | 62.3 | Low | 184 Ų | 184 | 126.5 Ų | 126.5 | 91% | 0.906 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -73.2 | 0 | -172.5 | -89.2 | -176.2 | 160.8 | 0 | 0 | 114.2 | F21 | F21-M23 PolarHBondContact O-N 3.44Å; F21-M23 VanDerWaalsContact O-N 3.16Å |
| 24 | T | 63.1 | Low | 64.9 | Low | 118 Ų | 118 | 121 Ų | 121 | 72% | 0.724 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -140.7 | 123.4 | -173.3 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | P22 | P22-T24 PolarHBondContact O-N 3.48Å; P22-T24 VanDerWaalsContact O-N 3.16Å |
| 25 | M | 71.4 | Confident | 67.6 | Low | 28 Ų | 28 | 118.3 Ų | 118.3 | 14% | 0.138 | 58% | 0.576 | C | S | . | * | trans | -73.1 | 147.2 | 168.9 | -74.6 | -159.8 | -63.6 | 0 | 0 | 110.4 | E27 Y29 V30 T63 H67 | M25-E27 PolarHBondContact O-N 2.95Å; M25-Y29 HydrophobicContact SD-CD1 3.95Å; M25-Y29 HydrophobicContact SD-CE1 4.15Å; M25-V30 HydrophobicContact CB-CG2 3.71Å; M25-V30 HydrophobicContact CE-CG2 3.61Å; M25-V30 HydrophobicContact SD-CG2 4.42Å; M25-T63 HydrophobicContact CE-CG2 4.29Å; M25-T63 HydrophobicContact SD-CG2 3.69Å; M25-H67 HydrophobicContact CE-CB 3.56Å; M25-H67 HydrophobicContact CG-CB 3.79Å; M25-H67 HydrophobicContact SD-CB 4.11Å | ||
| 26 | D | 81 | Confident | 70.2 | Confident | 106 Ų | 106 | 112.1 Ų | 112.1 | 57% | 0.567 | 55% | 0.551 | S | S | * | * | trans | -64.5 | 128.4 | 169.3 | 176.3 | 7 | 0 | 0 | 0 | 110.1 | K28 Y29 V30 | D26-K28 PolarHBondContact O-N 2.8Å; D26-K28 VanDerWaalsContact O-N 3.16Å; D26-K28 PolarHBondContact OD1-N 2.95Å; D26-K28 VanDerWaalsContact OD1-N 3.11Å; D26-Y29 WeakPolarHBondContact O-CA 3.28Å; D26-Y29 WeakPolarHBondContact O-CB 3.46Å; D26-Y29 PolarHBondContact O-N 3.28Å; D26-V30 WeakPolarHBondContact O-CG2 3.3Å; D26-V30 PolarHBondContact O-N 3.43Å | ||
| 27 | E | 83.6 | Confident | 73.1 | Confident | 143 Ų | 143 | 103.8 Ų | 103.8 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -52.6 | -35.9 | 178.6 | -85.5 | -167.6 | 150.2 | 0 | 0 | 113 | M25 Y29 V30 N31 | M25-E27 PolarHBondContact O-N 2.95Å; E27-Y29 VanDerWaalsContact C-N 3.31Å; E27-Y29 PolarHBondContact O-N 2.75Å; E27-V30 PolarHBondContact O-N 3.34Å; E27-N31 WeakPolarHBondContact O-CB 3.26Å; E27-N31 VanDerWaalsContact O-CG 3.25Å; E27-N31 PolarHBondContact O-N 2.98Å; E27-N31 PolarHBondContact O-ND2 2.9Å |
| 28 | K | 86.4 | Confident | 75.7 | Confident | 162 Ų | 162 | 95 Ų | 95 | 70% | 0.704 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.6 | -39.9 | 177.1 | -72.9 | -176.6 | 178.4 | 178.8 | 0 | 111.8 | D26 N31 S32 | D26-K28 PolarHBondContact O-N 2.8Å; D26-K28 VanDerWaalsContact O-N 3.16Å; D26-K28 PolarHBondContact OD1-N 2.95Å; D26-K28 VanDerWaalsContact OD1-N 3.11Å; K28-N31 PolarHBondContact O-N 2.99Å; K28-S32 PolarHBondContact O-N 3.5Å |
| 29 | Y | 88.1 | Confident | 78.1 | Confident | 122 Ų | 122 | 92.2 Ų | 92.2 | 48% | 0.478 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 177 | -174.2 | -119.7 | 0 | 0 | 0 | 111.1 | M25 D26 E27 N31 S32 I33 | M25-Y29 HydrophobicContact SD-CD1 3.95Å; M25-Y29 HydrophobicContact SD-CE1 4.15Å; D26-Y29 WeakPolarHBondContact O-CA 3.28Å; D26-Y29 WeakPolarHBondContact O-CB 3.46Å; D26-Y29 PolarHBondContact O-N 3.28Å; E27-Y29 VanDerWaalsContact C-N 3.31Å; E27-Y29 PolarHBondContact O-N 2.75Å; Y29-N31 VanDerWaalsContact C-N 3.32Å; Y29-N31 PolarHBondContact O-N 2.86Å; Y29-S32 PolarHBondContact O-N 3.47Å; Y29-S32 VanDerWaalsContact O-N 3.17Å; Y29-S32 PolarHBondContact O-OG 3.3Å; Y29-I33 HydrophobicContact CD1-CD1 3.95Å; Y29-I33 HydrophobicContact CE1-CD1 3.52Å; Y29-I33 HydrophobicContact CE1-CG1 4.4Å; Y29-I33 HydrophobicContact CE2-CD1 4.35Å; Y29-I33 HydrophobicContact CE2-CG1 4.4Å; Y29-I33 PolarHBondContact O-N 3.1Å |
| 30 | V | 89.4 | Confident | 80.7 | Confident | 2 Ų | 2 | 81.3 Ų | 81.3 | 1% | 0.012 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 174 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | M25 D26 E27 I33 W34 M64 H69 K72 | M25-V30 HydrophobicContact CB-CG2 3.71Å; M25-V30 HydrophobicContact CE-CG2 3.61Å; M25-V30 HydrophobicContact SD-CG2 4.42Å; D26-V30 WeakPolarHBondContact O-CG2 3.3Å; D26-V30 PolarHBondContact O-N 3.43Å; E27-V30 PolarHBondContact O-N 3.34Å; V30-I33 PolarHBondContact O-N 3.26Å; V30-W34 WeakPolarHBondContact O-CB 3.01Å; V30-W34 PolarHBondContact O-N 3.3Å; V30-M64 HydrophobicContact CG1-CE 3.88Å; V30-H69 HydrophobicContact CG1-CB 4.14Å; V30-K72 HydrophobicContact CG1-CD 4.43Å |
| 31 | N | 91.7 | Very high | 83.4 | Confident | 62 Ų | 62 | 76.8 Ų | 76.8 | 33% | 0.332 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.7 | -71.1 | -25 | 0 | 0 | 0 | 111.6 | E27 K28 Y29 I33 W34 D35 K72 | E27-N31 WeakPolarHBondContact O-CB 3.26Å; E27-N31 VanDerWaalsContact O-CG 3.25Å; E27-N31 PolarHBondContact O-N 2.98Å; E27-N31 PolarHBondContact O-ND2 2.9Å; K28-N31 PolarHBondContact O-N 2.99Å; Y29-N31 VanDerWaalsContact C-N 3.32Å; Y29-N31 PolarHBondContact O-N 2.86Å; N31-I33 VanDerWaalsContact C-N 3.32Å; N31-I33 PolarHBondContact O-N 2.7Å; N31-W34 PolarHBondContact O-N 2.71Å; N31-W34 VanDerWaalsContact O-N 3.16Å; N31-D35 VanDerWaalsContact O-CG 3.31Å; N31-D35 PolarHBondContact O-N 3.48Å; N31-K72 PolarHBondContact OD1-NZ 3.2Å |
| 32 | S | 92.5 | Very high | 85.8 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.8 | -38 | 178.6 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | K28 Y29 L36 | K28-S32 PolarHBondContact O-N 3.5Å; Y29-S32 PolarHBondContact O-N 3.47Å; Y29-S32 VanDerWaalsContact O-N 3.17Å; Y29-S32 PolarHBondContact O-OG 3.3Å; S32-L36 PolarHBondContact O-N 3.29Å |
| 33 | I | 93.4 | Very high | 88 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 174.6 | -67.7 | 172 | 0 | 0 | 0 | 109.9 | Y29 V30 N31 D35 L36 L37 N60 T63 M64 | Y29-I33 HydrophobicContact CD1-CD1 3.95Å; Y29-I33 HydrophobicContact CE1-CD1 3.52Å; Y29-I33 HydrophobicContact CE1-CG1 4.4Å; Y29-I33 HydrophobicContact CE2-CD1 4.35Å; Y29-I33 HydrophobicContact CE2-CG1 4.4Å; Y29-I33 PolarHBondContact O-N 3.1Å; V30-I33 PolarHBondContact O-N 3.26Å; N31-I33 VanDerWaalsContact C-N 3.32Å; N31-I33 PolarHBondContact O-N 2.7Å; I33-D35 PolarHBondContact O-N 3.14Å; I33-L36 PolarHBondContact O-N 3.48Å; I33-L37 HydrophobicContact CG2-CD1 3.98Å; I33-L37 HydrophobicContact CG2-CG 4.38Å; I33-L37 WeakPolarHBondContact O-CG 3.42Å; I33-L37 PolarHBondContact O-N 3.44Å; I33-N60 HydrophobicContact CG2-CB 3.74Å; I33-T63 HydrophobicContact CD1-CG2 4.38Å; I33-M64 HydrophobicContact CB-CG 4.32Å; I33-M64 HydrophobicContact CB-SD 4.3Å; I33-M64 HydrophobicContact CG2-CG 3.72Å; I33-M64 HydrophobicContact CG2-SD 3.7Å |
| 34 | W | 95 | Very high | 90 | Very high | 25 Ų | 25 | 59 Ų | 59 | 10% | 0.095 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 178.4 | 172.6 | -116.3 | 0 | 0 | 0 | 112.1 | V30 N31 L36 L37 K38 M64 L73 G76 V80 | V30-W34 WeakPolarHBondContact O-CB 3.01Å; V30-W34 PolarHBondContact O-N 3.3Å; N31-W34 PolarHBondContact O-N 2.71Å; N31-W34 VanDerWaalsContact O-N 3.16Å; W34-L36 VanDerWaalsContact C-N 3.28Å; W34-L36 PolarHBondContact O-N 3.49Å; W34-L37 HydrophobicContact CE3-CB 4.27Å; W34-L37 HydrophobicContact CZ3-CB 4.43Å; W34-L37 PolarHBondContact O-N 3.02Å; W34-K38 HydrophobicContact CH2-CB 4.38Å; W34-K38 HydrophobicContact CZ2-CB 4.08Å; W34-K38 HydrophobicContact CZ2-CD 4.4Å; W34-K38 VanDerWaalsContact O-CB 3.28Å; W34-K38 WeakPolarHBondContact O-CB 3.48Å; W34-K38 PolarHBondContact O-N 2.82Å; W34-M64 HydrophobicContact CB-CE 4.17Å; W34-M64 HydrophobicContact CB-SD 4.34Å; W34-L73 HydrophobicContact CE3-CD1 3.71Å; W34-L73 HydrophobicContact CZ3-CD1 3.65Å; W34-G76 VanDerWaalsContact CH2-CA 3.49Å; W34-G76 WeakPolarHBondContact CH2-O 3.44Å; W34-G76 WeakPolarHBondContact CZ2-O 3.48Å; W34-V80 HydrophobicContact CH2-CG2 4.12Å; W34-V80 HydrophobicContact CZ2-CG2 3.89Å |
| 35 | D | 94.3 | Very high | 91.5 | Very high | 86 Ų | 86 | 54 Ų | 54 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 177.9 | -70.3 | -29.1 | 0 | 0 | 0 | 111.5 | N31 I33 K38 N39 | N31-D35 VanDerWaalsContact O-CG 3.31Å; N31-D35 PolarHBondContact O-N 3.48Å; I33-D35 PolarHBondContact O-N 3.14Å; D35-K38 PolarHBondContact O-N 3.18Å; D35-N39 WeakPolarHBondContact O-CB 3.46Å; D35-N39 PolarHBondContact O-N 2.89Å; D35-N39 PolarHBondContact O-ND2 2.82Å; D35-N39 VanDerWaalsContact O-ND2 3.16Å |
| 36 | L | 94.5 | Very high | 92.5 | Very high | 70 Ų | 70 | 59.8 Ų | 59.8 | 37% | 0.366 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 175.4 | -176.6 | 143.1 | 0 | 0 | 0 | 111.9 | S32 I33 W34 A40 L57 N60 | S32-L36 PolarHBondContact O-N 3.29Å; I33-L36 PolarHBondContact O-N 3.48Å; W34-L36 VanDerWaalsContact C-N 3.28Å; W34-L36 PolarHBondContact O-N 3.49Å; L36-A40 WeakPolarHBondContact O-CB 3.28Å; L36-A40 PolarHBondContact O-N 3.42Å; L36-A40 VanDerWaalsContact O-N 3.07Å; L36-L57 HydrophobicContact CD2-CD2 3.45Å; L36-L57 VanDerWaalsContact CD2-CD2 3.45Å; L36-N60 WeakPolarHBondContact CD2-ND2 3.27Å |
| 37 | L | 95.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 175.2 | -69.8 | 172.5 | 0 | 0 | 0 | 111.9 | I33 W34 A40 I41 L57 N60 A61 M64 L73 I122 | I33-L37 HydrophobicContact CG2-CD1 3.98Å; I33-L37 HydrophobicContact CG2-CG 4.38Å; I33-L37 WeakPolarHBondContact O-CG 3.42Å; I33-L37 PolarHBondContact O-N 3.44Å; W34-L37 HydrophobicContact CE3-CB 4.27Å; W34-L37 HydrophobicContact CZ3-CB 4.43Å; W34-L37 PolarHBondContact O-N 3.02Å; L37-A40 PolarHBondContact O-N 2.82Å; L37-I41 VanDerWaalsContact O-CG1 3.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.44Å; L37-I41 PolarHBondContact O-N 3.28Å; L37-L57 HydrophobicContact CD2-CB 4.19Å; L37-L57 HydrophobicContact CD2-CD2 3.97Å; L37-L57 WeakPolarHBondContact CD2-O 3.5Å; L37-N60 HydrophobicContact CD2-CB 4.39Å; L37-A61 HydrophobicContact CD1-CB 4.12Å; L37-A61 HydrophobicContact CD2-CB 4.32Å; L37-M64 HydrophobicContact CD1-SD 3.79Å; L37-L73 HydrophobicContact CD1-CD1 3.69Å; L37-I122 HydrophobicContact CD2-CG2 4.26Å |
| 38 | K | 96.1 | Very high | 93.5 | Very high | 63 Ų | 63 | 58 Ų | 58 | 27% | 0.274 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 176.5 | 171.1 | 167.7 | -179.9 | 174.6 | 0 | 111 | W34 D35 A40 I41 Q42 V80 | W34-K38 HydrophobicContact CH2-CB 4.38Å; W34-K38 HydrophobicContact CZ2-CB 4.08Å; W34-K38 HydrophobicContact CZ2-CD 4.4Å; W34-K38 VanDerWaalsContact O-CB 3.28Å; W34-K38 WeakPolarHBondContact O-CB 3.48Å; W34-K38 PolarHBondContact O-N 2.82Å; D35-K38 PolarHBondContact O-N 3.18Å; K38-A40 VanDerWaalsContact C-N 3.35Å; K38-A40 PolarHBondContact O-N 3.45Å; K38-I41 PolarHBondContact O-N 3.48Å; K38-Q42 WeakPolarHBondContact O-CG 3.27Å; K38-Q42 PolarHBondContact O-N 3.02Å; K38-V80 HydrophobicContact CB-CG2 4.36Å; K38-V80 HydrophobicContact CD-CG2 3.83Å; K38-V80 HydrophobicContact CG-CG2 3.67Å |
| 39 | N | 94.8 | Very high | 93.5 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 177.5 | -71.5 | -26.8 | 0 | 0 | 0 | 111.4 | D35 I41 Q42 E43 | D35-N39 WeakPolarHBondContact O-CB 3.46Å; D35-N39 PolarHBondContact O-N 2.89Å; D35-N39 PolarHBondContact O-ND2 2.82Å; D35-N39 VanDerWaalsContact O-ND2 3.16Å; N39-I41 PolarHBondContact O-N 3.08Å; N39-Q42 PolarHBondContact O-N 2.8Å; N39-E43 WeakPolarHBondContact O-CG 3.36Å; N39-E43 PolarHBondContact O-N 3.47Å |
| 40 | A | 95.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L36 L37 K38 Q42 E43 I44 L52 L57 | L36-A40 WeakPolarHBondContact O-CB 3.28Å; L36-A40 PolarHBondContact O-N 3.42Å; L36-A40 VanDerWaalsContact O-N 3.07Å; L37-A40 PolarHBondContact O-N 2.82Å; K38-A40 VanDerWaalsContact C-N 3.35Å; K38-A40 PolarHBondContact O-N 3.45Å; A40-Q42 VanDerWaalsContact C-N 3.34Å; A40-Q42 PolarHBondContact O-N 2.71Å; A40-E43 PolarHBondContact O-N 3.31Å; A40-I44 VanDerWaalsContact O-CG1 3.31Å; A40-I44 WeakPolarHBondContact O-CG1 3.46Å; A40-I44 PolarHBondContact O-N 2.9Å; A40-L52 HydrophobicContact CB-CD1 4.17Å; A40-L52 HydrophobicContact CB-CD2 4Å; A40-L57 HydrophobicContact CB-CD1 3.61Å; A40-L57 HydrophobicContact CB-CD2 3.5Å; A40-L57 HydrophobicContact CB-CG 4.23Å |
| 41 | I | 96.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.1 | -69.1 | 163.6 | 0 | 0 | 0 | 110.5 | L37 K38 N39 E43 I44 Q45 L77 V80 I119 | L37-I41 VanDerWaalsContact O-CG1 3.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.44Å; L37-I41 PolarHBondContact O-N 3.28Å; K38-I41 PolarHBondContact O-N 3.48Å; N39-I41 PolarHBondContact O-N 3.08Å; I41-E43 PolarHBondContact O-N 2.9Å; I41-I44 PolarHBondContact O-N 3.47Å; I41-Q45 WeakPolarHBondContact O-CG 3.43Å; I41-Q45 PolarHBondContact O-N 2.74Å; I41-L77 HydrophobicContact CD1-CD1 3.96Å; I41-V80 HydrophobicContact CB-CG1 4.28Å; I41-V80 HydrophobicContact CG2-CG1 3.67Å; I41-I119 HydrophobicContact CG1-CG1 4.4Å; I41-I119 HydrophobicContact CG1-CG2 4.39Å; I41-I119 HydrophobicContact CG2-CD1 3.86Å; I41-I119 HydrophobicContact CG2-CG1 4.3Å |
| 42 | Q | 95.7 | Very high | 93.4 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 177 | -71.4 | 179.6 | -19.1 | 0 | 0 | 112.3 | K38 N39 A40 Q45 R46 V80 | K38-Q42 WeakPolarHBondContact O-CG 3.27Å; K38-Q42 PolarHBondContact O-N 3.02Å; N39-Q42 PolarHBondContact O-N 2.8Å; A40-Q42 VanDerWaalsContact C-N 3.34Å; A40-Q42 PolarHBondContact O-N 2.71Å; Q42-Q45 PolarHBondContact O-N 3.35Å; Q42-R46 WeakPolarHBondContact O-CB 3.28Å; Q42-R46 VanDerWaalsContact O-CG 3.29Å; Q42-R46 WeakPolarHBondContact O-CG 3.45Å; Q42-R46 PolarHBondContact O-N 2.9Å; Q42-V80 HydrophobicContact CG-CG1 3.85Å |
| 43 | E | 95.8 | Very high | 93.4 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 176.3 | -70.5 | -54.5 | 108.5 | 0 | 0 | 112 | N39 A40 I41 R46 K47 N48 L52 | N39-E43 WeakPolarHBondContact O-CG 3.36Å; N39-E43 PolarHBondContact O-N 3.47Å; A40-E43 PolarHBondContact O-N 3.31Å; I41-E43 PolarHBondContact O-N 2.9Å; E43-R46 CarbonylContact O-C 3.57Å; E43-R46 PolarHBondContact O-N 3.33Å; E43-R46 IonicContact OE1-CZ 2.8Å; E43-R46 IonicContact OE1-NH1 3.87Å; E43-R46 PolarHBondContact OE1-NH1 3.16Å; E43-K47 PolarHBondContact O-N 3.22Å; E43-K47 VanDerWaalsContact O-N 3.15Å; E43-N48 PolarHBondContact O-N 3.12Å; E43-N48 WeakPolarHBondContact OE2-CB 3.37Å; E43-N48 PolarHBondContact OE2-ND2 3.37Å; E43-L52 HydrophobicContact CB-CD1 4.24Å |
| 44 | I | 95.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 172.1 | -70.7 | 166.3 | 0 | 0 | 0 | 110.9 | A40 I41 R46 K47 N49 L52 F54 A115 M118 I119 I122 | A40-I44 VanDerWaalsContact O-CG1 3.31Å; A40-I44 WeakPolarHBondContact O-CG1 3.46Å; A40-I44 PolarHBondContact O-N 2.9Å; I41-I44 PolarHBondContact O-N 3.47Å; I44-R46 VanDerWaalsContact C-N 3.27Å; I44-R46 PolarHBondContact O-N 3.46Å; I44-K47 WeakPolarHBondContact O-CA 3.1Å; I44-K47 PolarHBondContact O-N 3.18Å; I44-N49 HydrophobicContact CG1-CB 4Å; I44-L52 HydrophobicContact CD1-CD1 4.16Å; I44-L52 HydrophobicContact CG1-CD1 3.7Å; I44-F54 HydrophobicContact CD1-CZ 4.48Å; I44-A115 HydrophobicContact CG2-CB 3.99Å; I44-M118 HydrophobicContact CD1-CB 4.36Å; I44-M118 HydrophobicContact CG2-CB 3.98Å; I44-M118 HydrophobicContact CG2-CE 3.78Å; I44-M118 HydrophobicContact CG2-SD 4.23Å; I44-I119 HydrophobicContact CD1-CG1 4.36Å; I44-I119 HydrophobicContact CG2-CD1 4.44Å; I44-I119 HydrophobicContact CG2-CG1 4.12Å; I44-I122 HydrophobicContact CD1-CD1 3.37Å |
| 45 | Q | 94.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.3 | -31.4 | 177.7 | -72.7 | 178.4 | -41.5 | 0 | 0 | 112.8 | I41 Q42 K47 H84 I119 | I41-Q45 WeakPolarHBondContact O-CG 3.43Å; I41-Q45 PolarHBondContact O-N 2.74Å; Q42-Q45 PolarHBondContact O-N 3.35Å; Q45-K47 PolarHBondContact O-N 2.62Å; Q45-H84 VanDerWaalsContact OE1-CB 3.28Å; Q45-I119 HydrophobicContact CG-CD1 4.41Å |
| 46 | R | 93.1 | Very high | 93.2 | Very high | 148 Ų | 148 | 64.6 Ų | 64.6 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 2.6 | 172.3 | -68.8 | 172.8 | -173.5 | 148.6 | 3.1 | 113.8 | Q42 E43 I44 N48 | Q42-R46 WeakPolarHBondContact O-CB 3.28Å; Q42-R46 VanDerWaalsContact O-CG 3.29Å; Q42-R46 WeakPolarHBondContact O-CG 3.45Å; Q42-R46 PolarHBondContact O-N 2.9Å; E43-R46 CarbonylContact O-C 3.57Å; E43-R46 PolarHBondContact O-N 3.33Å; E43-R46 IonicContact OE1-CZ 2.8Å; E43-R46 IonicContact OE1-NH1 3.87Å; E43-R46 PolarHBondContact OE1-NH1 3.16Å; I44-R46 VanDerWaalsContact C-N 3.27Å; I44-R46 PolarHBondContact O-N 3.46Å; R46-N48 PolarHBondContact O-N 3.11Å |
| 47 | K | 92.7 | Very high | 93.2 | Very high | 123 Ų | 123 | 61.7 Ų | 61.7 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 25.6 | -175.1 | -49.4 | 178.4 | -175.2 | -177.9 | 0 | 114 | E43 I44 Q45 D111 | E43-K47 PolarHBondContact O-N 3.22Å; E43-K47 VanDerWaalsContact O-N 3.15Å; I44-K47 WeakPolarHBondContact O-CA 3.1Å; I44-K47 PolarHBondContact O-N 3.18Å; Q45-K47 PolarHBondContact O-N 2.62Å; K47-D111 WeakPolarHBondContact CE-OD1 3.33Å; K47-D111 WeakPolarHBondContact CE-OD2 3.49Å; K47-D111 IonicContact NZ-OD1 3.26Å; K47-D111 PolarHBondContact NZ-OD1 3.07Å; K47-D111 IonicContact NZ-OD2 2.79Å; K47-D111 PolarHBondContact NZ-OD2 3.33Å |
| 48 | N | 92.1 | Very high | 93.3 | Very high | 88 Ų | 88 | 64.8 Ų | 64.8 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | trans | -109.2 | 55.2 | 179.5 | -168.7 | 26.4 | 0 | 0 | 0 | 111.7 | E43 R46 | E43-N48 PolarHBondContact O-N 3.12Å; E43-N48 WeakPolarHBondContact OE2-CB 3.37Å; E43-N48 PolarHBondContact OE2-ND2 3.37Å; R46-N48 PolarHBondContact O-N 3.11Å | ||
| 49 | N | 87.3 | Confident | 93.2 | Very high | 49 Ų | 49 | 69.3 Ų | 69.3 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | trans | -96.9 | -1.5 | -171.4 | 59.1 | 25.7 | 0 | 0 | 0 | 115.1 | I44 G51 L52 M118 | I44-N49 HydrophobicContact CG1-CB 4Å; N49-G51 VanDerWaalsContact C-N 3.26Å; N49-G51 PolarHBondContact O-N 3.49Å; N49-L52 HydrophobicContact CB-CD1 4.04Å; N49-L52 WeakPolarHBondContact O-CB 3.39Å; N49-L52 PolarHBondContact O-N 3.06Å; N49-L52 VanDerWaalsContact O-N 3.15Å; N49-M118 VanDerWaalsContact ND2-CE 3.34Å; N49-M118 WeakPolarHBondContact ND2-CE 3.38Å; N49-M118 PolarHBondContact ND2-SD 3.02Å | ||
| 50 | S | 87.4 | Confident | 93.1 | Very high | 112 Ų | 112 | 65.7 Ų | 65.7 | 78% | 0.783 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -26.2 | -173.7 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 51 | G | 87.5 | Confident | 93 | Very high | 74 Ų | 74 | 65.7 Ų | 65.7 | 76% | 0.763 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -0.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | N49 | N49-G51 VanDerWaalsContact C-N 3.26Å; N49-G51 PolarHBondContact O-N 3.49Å |
| 52 | L | 91.2 | Very high | 92.9 | Very high | 44 Ų | 44 | 69.4 Ų | 69.4 | 23% | 0.23 | 35% | 0.348 | C | S | . | . | trans | -90.1 | 132.3 | -173.2 | -61.3 | 177.5 | 0 | 0 | 0 | 111.9 | A40 E43 I44 N49 F54 L57 | A40-L52 HydrophobicContact CB-CD1 4.17Å; A40-L52 HydrophobicContact CB-CD2 4Å; E43-L52 HydrophobicContact CB-CD1 4.24Å; I44-L52 HydrophobicContact CD1-CD1 4.16Å; I44-L52 HydrophobicContact CG1-CD1 3.7Å; N49-L52 HydrophobicContact CB-CD1 4.04Å; N49-L52 WeakPolarHBondContact O-CB 3.39Å; N49-L52 PolarHBondContact O-N 3.06Å; N49-L52 VanDerWaalsContact O-N 3.15Å; L52-F54 HydrophobicContact CB-CE2 4.43Å; L52-F54 PolarHBondContact O-N 2.94Å; L52-L57 HydrophobicContact CB-CD1 4.07Å | ||
| 53 | S | 93.5 | Very high | 92.8 | Very high | 57 Ų | 57 | 69.1 Ų | 69.1 | 40% | 0.399 | 35% | 0.349 | S | S | . | . | trans | -87.2 | 99 | 169.3 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | E55 E56 L57 | S53-E55 PolarHBondContact O-N 2.95Å; S53-E56 PolarHBondContact O-N 2.65Å; S53-E56 WeakPolarHBondContact OG-CB 3.32Å; S53-E56 PolarHBondContact OG-N 3.4Å; S53-L57 VanDerWaalsContact O-CG 3.27Å; S53-L57 WeakPolarHBondContact O-CG 3.41Å; S53-L57 PolarHBondContact O-N 3.3Å | ||
| 54 | F | 92.3 | Very high | 92.6 | Very high | 76 Ų | 76 | 67 Ų | 67 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60 | -33.9 | 179.6 | -80 | -104.6 | 0 | 0 | 0 | 112.8 | I44 L52 Y58 M118 I122 | I44-F54 HydrophobicContact CD1-CZ 4.48Å; L52-F54 HydrophobicContact CB-CE2 4.43Å; L52-F54 PolarHBondContact O-N 2.94Å; F54-Y58 VanDerWaalsContact O-CB 3.26Å; F54-Y58 WeakPolarHBondContact O-CB 3.33Å; F54-Y58 PolarHBondContact O-N 3.45Å; F54-M118 HydrophobicContact CE1-CB 4.07Å; F54-M118 HydrophobicContact CE1-CG 4.39Å; F54-M118 HydrophobicContact CZ-CB 4.36Å; F54-M118 HydrophobicContact CZ-CG 4.4Å; F54-M118 HydrophobicContact CZ-SD 4.16Å; F54-I122 HydrophobicContact CD1-CD1 3.86Å; F54-I122 HydrophobicContact CD1-CG1 3.55Å; F54-I122 HydrophobicContact CE1-CD1 3.78Å; F54-I122 HydrophobicContact CE1-CG1 3.91Å; F54-I122 HydrophobicContact CG-CG1 4.42Å |
| 55 | E | 92.9 | Very high | 92.5 | Very high | 162 Ų | 162 | 67.5 Ų | 67.5 | 76% | 0.757 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.6 | -44 | 176.6 | -173.4 | -174.1 | 172.1 | 0 | 0 | 111.7 | S53 Y58 R59 | S53-E55 PolarHBondContact O-N 2.95Å; E55-Y58 PolarHBondContact O-N 3.47Å; E55-R59 WeakPolarHBondContact O-CB 3.48Å; E55-R59 PolarHBondContact O-N 2.9Å |
| 56 | E | 93.7 | Very high | 92.3 | Very high | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 178 | -175.8 | 178.2 | 179.1 | 0 | 0 | 111.1 | S53 Y58 R59 N60 | S53-E56 PolarHBondContact O-N 2.65Å; S53-E56 WeakPolarHBondContact OG-CB 3.32Å; S53-E56 PolarHBondContact OG-N 3.4Å; E56-Y58 PolarHBondContact O-N 2.95Å; E56-R59 PolarHBondContact O-N 3.17Å; E56-N60 WeakPolarHBondContact O-CB 3.3Å; E56-N60 VanDerWaalsContact O-CG 3.31Å; E56-N60 PolarHBondContact O-N 3.16Å; E56-N60 PolarHBondContact O-ND2 3.41Å |
| 57 | L | 95.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 67 Ų | 67 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 176.7 | -65.6 | 169.5 | 0 | 0 | 0 | 111.3 | L36 L37 A40 L52 S53 R59 N60 A61 I122 | L36-L57 HydrophobicContact CD2-CD2 3.45Å; L36-L57 VanDerWaalsContact CD2-CD2 3.45Å; L37-L57 HydrophobicContact CD2-CB 4.19Å; L37-L57 HydrophobicContact CD2-CD2 3.97Å; L37-L57 WeakPolarHBondContact CD2-O 3.5Å; A40-L57 HydrophobicContact CB-CD1 3.61Å; A40-L57 HydrophobicContact CB-CD2 3.5Å; A40-L57 HydrophobicContact CB-CG 4.23Å; L52-L57 HydrophobicContact CB-CD1 4.07Å; S53-L57 VanDerWaalsContact O-CG 3.27Å; S53-L57 WeakPolarHBondContact O-CG 3.41Å; S53-L57 PolarHBondContact O-N 3.3Å; L57-R59 PolarHBondContact O-N 3.18Å; L57-N60 PolarHBondContact O-N 3.39Å; L57-A61 WeakPolarHBondContact O-CB 3.5Å; L57-A61 PolarHBondContact O-N 3.43Å; L57-I122 HydrophobicContact CB-CD1 4.45Å; L57-I122 HydrophobicContact CB-CG1 4.3Å; L57-I122 HydrophobicContact CB-CG2 3.7Å; L57-I122 HydrophobicContact CD1-CD1 3.88Å |
| 58 | Y | 95.9 | Very high | 92.1 | Very high | 67 Ų | 67 | 69.6 Ų | 69.6 | 26% | 0.263 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 175 | 173.7 | -94.5 | 0 | 0 | 0 | 111.9 | F54 E55 E56 N60 A61 Y62 I122 M124 | F54-Y58 VanDerWaalsContact O-CB 3.26Å; F54-Y58 WeakPolarHBondContact O-CB 3.33Å; F54-Y58 PolarHBondContact O-N 3.45Å; E55-Y58 PolarHBondContact O-N 3.47Å; E56-Y58 PolarHBondContact O-N 2.95Å; Y58-N60 VanDerWaalsContact C-N 3.31Å; Y58-N60 PolarHBondContact O-N 2.84Å; Y58-A61 PolarHBondContact O-N 2.97Å; Y58-Y62 VanDerWaalsContact O-CB 3.28Å; Y58-Y62 WeakPolarHBondContact O-CB 3.29Å; Y58-Y62 PolarHBondContact O-N 2.7Å; Y58-I122 WeakPolarHBondContact CA-O 3.36Å; Y58-I122 WeakPolarHBondContact CD2-O 3.25Å; Y58-M124 HydrophobicContact CD2-CE 4.42Å; Y58-M124 HydrophobicContact CE2-CB 4.06Å; Y58-M124 HydrophobicContact CE2-CE 3.68Å |
| 59 | R | 94 | Very high | 92.1 | Very high | 158 Ų | 158 | 67.8 Ų | 67.8 | 60% | 0.596 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.3 | -39.8 | 177.9 | -172.9 | 178.3 | 67.1 | 173.3 | -1.3 | 111.7 | E55 E56 L57 Y62 T63 | E55-R59 WeakPolarHBondContact O-CB 3.48Å; E55-R59 PolarHBondContact O-N 2.9Å; E56-R59 PolarHBondContact O-N 3.17Å; L57-R59 PolarHBondContact O-N 3.18Å; R59-Y62 WeakPolarHBondContact O-CB 3.36Å; R59-Y62 PolarHBondContact O-N 3Å; R59-T63 PolarHBondContact O-N 3.31Å; R59-T63 PolarHBondContact O-OG1 2.99Å |
| 60 | N | 93.9 | Very high | 92.3 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 9% | 0.086 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 177 | -80.2 | -20.4 | 0 | 0 | 0 | 112 | I33 L36 L37 E56 L57 Y58 T63 M64 | I33-N60 HydrophobicContact CG2-CB 3.74Å; L36-N60 WeakPolarHBondContact CD2-ND2 3.27Å; L37-N60 HydrophobicContact CD2-CB 4.39Å; E56-N60 WeakPolarHBondContact O-CB 3.3Å; E56-N60 VanDerWaalsContact O-CG 3.31Å; E56-N60 PolarHBondContact O-N 3.16Å; E56-N60 PolarHBondContact O-ND2 3.41Å; L57-N60 PolarHBondContact O-N 3.39Å; Y58-N60 VanDerWaalsContact C-N 3.31Å; Y58-N60 PolarHBondContact O-N 2.84Å; N60-T63 PolarHBondContact O-N 2.78Å; N60-M64 PolarHBondContact O-N 3.12Å; N60-M64 VanDerWaalsContact O-N 3.11Å |
| 61 | A | 93.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L37 L57 Y58 T63 M64 V65 L73 L123 | L37-A61 HydrophobicContact CD1-CB 4.12Å; L37-A61 HydrophobicContact CD2-CB 4.32Å; L57-A61 WeakPolarHBondContact O-CB 3.5Å; L57-A61 PolarHBondContact O-N 3.43Å; Y58-A61 PolarHBondContact O-N 2.97Å; A61-T63 PolarHBondContact O-N 3.4Å; A61-M64 PolarHBondContact O-N 3.5Å; A61-V65 WeakPolarHBondContact O-CG2 3.39Å; A61-V65 PolarHBondContact O-N 3.23Å; A61-V65 VanDerWaalsContact O-N 3.13Å; A61-L73 HydrophobicContact CB-CD2 4.19Å; A61-L123 HydrophobicContact CB-CD2 3.68Å |
| 62 | Y | 93.8 | Very high | 92.9 | Very high | 83 Ų | 83 | 66.8 Ų | 66.8 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.3 | -48.6 | 174.2 | 172.2 | -89.2 | 0 | 0 | 0 | 111.5 | Y58 R59 M64 V65 L66 Y125 | Y58-Y62 VanDerWaalsContact O-CB 3.28Å; Y58-Y62 WeakPolarHBondContact O-CB 3.29Å; Y58-Y62 PolarHBondContact O-N 2.7Å; R59-Y62 WeakPolarHBondContact O-CB 3.36Å; R59-Y62 PolarHBondContact O-N 3Å; Y62-M64 PolarHBondContact O-N 3.44Å; Y62-V65 PolarHBondContact O-N 2.9Å; Y62-L66 HydrophobicContact CE1-CB 4.45Å; Y62-L66 HydrophobicContact CE1-CD2 3.84Å; Y62-L66 WeakPolarHBondContact O-CB 3.49Å; Y62-L66 PolarHBondContact O-N 3.24Å; Y62-Y125 AromaticContact CD2-CD1 3.55Å; Y62-Y125 HydrophobicContact CD2-CD1 3.55Å; Y62-Y125 AromaticContact CD2-CD2 3.66Å; Y62-Y125 HydrophobicContact CD2-CD2 3.66Å; Y62-Y125 AromaticContact CD2-CE1 3.72Å; Y62-Y125 HydrophobicContact CD2-CE1 3.72Å; Y62-Y125 AromaticContact CD2-CE2 3.84Å; Y62-Y125 HydrophobicContact CD2-CE2 3.84Å; Y62-Y125 AromaticContact CD2-CG 3.51Å; Y62-Y125 HydrophobicContact CD2-CG 3.51Å; Y62-Y125 AromaticContact CD2-CZ 3.87Å; Y62-Y125 HydrophobicContact CE2-CD1 4.09Å; Y62-Y125 AromaticContact CE2-CD2 3.88Å; Y62-Y125 HydrophobicContact CE2-CD2 3.88Å; Y62-Y125 AromaticContact CE2-CE1 3.79Å; Y62-Y125 HydrophobicContact CE2-CE1 3.79Å; Y62-Y125 AromaticContact CE2-CE2 3.56Å; Y62-Y125 HydrophobicContact CE2-CE2 3.56Å; Y62-Y125 HydrophobicContact CE2-CG 4.13Å; Y62-Y125 AromaticContact CE2-CZ 3.51Å; Y62-Y125 HydrophobicContact CG-CD1 4.31Å; Y62-Y125 HydrophobicContact CG-CG 4.48Å |
| 63 | T | 92.6 | Very high | 93.1 | Very high | 32 Ų | 32 | 64.7 Ų | 64.7 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 178.3 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | M25 I33 R59 N60 A61 V65 L66 H67 | M25-T63 HydrophobicContact CE-CG2 4.29Å; M25-T63 HydrophobicContact SD-CG2 3.69Å; I33-T63 HydrophobicContact CD1-CG2 4.38Å; R59-T63 PolarHBondContact O-N 3.31Å; R59-T63 PolarHBondContact O-OG1 2.99Å; N60-T63 PolarHBondContact O-N 2.78Å; A61-T63 PolarHBondContact O-N 3.4Å; T63-V65 PolarHBondContact O-N 3.03Å; T63-L66 PolarHBondContact O-N 2.89Å; T63-H67 PolarHBondContact O-CD2 2.82Å; T63-H67 VanDerWaalsContact O-CD2 3.25Å; T63-H67 PolarHBondContact O-N 3.43Å; T63-H67 VanDerWaalsContact O-N 3.12Å |
| 64 | M | 92.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -46.3 | 176.7 | -75 | -170.5 | 70.6 | 0 | 0 | 112.5 | V30 I33 W34 L37 N60 A61 Y62 H69 L73 | V30-M64 HydrophobicContact CG1-CE 3.88Å; I33-M64 HydrophobicContact CB-CG 4.32Å; I33-M64 HydrophobicContact CB-SD 4.3Å; I33-M64 HydrophobicContact CG2-CG 3.72Å; I33-M64 HydrophobicContact CG2-SD 3.7Å; W34-M64 HydrophobicContact CB-CE 4.17Å; W34-M64 HydrophobicContact CB-SD 4.34Å; L37-M64 HydrophobicContact CD1-SD 3.79Å; N60-M64 PolarHBondContact O-N 3.12Å; N60-M64 VanDerWaalsContact O-N 3.11Å; A61-M64 PolarHBondContact O-N 3.5Å; Y62-M64 PolarHBondContact O-N 3.44Å; M64-H69 HydrophobicContact CB-CB 4.49Å; M64-H69 HydrophobicContact CE-CB 4.26Å; M64-H69 WeakPolarHBondContact O-CA 3.49Å; M64-H69 WeakPolarHBondContact O-CB 3.45Å; M64-H69 PolarHBondContact O-N 2.76Å; M64-L73 HydrophobicContact CB-CD2 4.41Å; M64-L73 HydrophobicContact CE-CB 4.2Å; M64-L73 HydrophobicContact CE-CD1 4.48Å; M64-L73 HydrophobicContact SD-CD1 4.11Å |
| 65 | V | 92 | Very high | 93.4 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.7 | -42.3 | -179.7 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | A61 Y62 T63 H67 K68 L73 Y125 M126 V129 | A61-V65 WeakPolarHBondContact O-CG2 3.39Å; A61-V65 PolarHBondContact O-N 3.23Å; A61-V65 VanDerWaalsContact O-N 3.13Å; Y62-V65 PolarHBondContact O-N 2.9Å; T63-V65 PolarHBondContact O-N 3.03Å; V65-H67 PolarHBondContact O-N 2.96Å; V65-K68 PolarHBondContact O-N 3.35Å; V65-L73 HydrophobicContact CG2-CD2 3.89Å; V65-Y125 HydrophobicContact CB-CD1 3.84Å; V65-Y125 HydrophobicContact CB-CE1 4.1Å; V65-Y125 HydrophobicContact CG1-CD1 3.78Å; V65-Y125 HydrophobicContact CG1-CE1 3.78Å; V65-Y125 HydrophobicContact CG2-CD1 4.49Å; V65-M126 HydrophobicContact CG2-CB 3.84Å; V65-M126 HydrophobicContact CG2-CG 4.12Å; V65-V129 HydrophobicContact CG1-CB 4.32Å; V65-V129 HydrophobicContact CG1-CG1 4.43Å |
| 66 | L | 91.4 | Very high | 93.6 | Very high | 87 Ų | 87 | 54 Ų | 54 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.1 | -39.9 | 178.8 | -176.6 | 67.3 | 0 | 0 | 0 | 111.7 | Y62 T63 K68 | Y62-L66 HydrophobicContact CE1-CB 4.45Å; Y62-L66 HydrophobicContact CE1-CD2 3.84Å; Y62-L66 WeakPolarHBondContact O-CB 3.49Å; Y62-L66 PolarHBondContact O-N 3.24Å; T63-L66 PolarHBondContact O-N 2.89Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 3.48Å |
| 67 | H | 90.1 | Very high | 93.7 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 30% | 0.296 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 28.4 | 178.2 | -68.2 | -78.1 | 0 | 0 | 0 | 113.7 | M25 T63 V65 H69 | M25-H67 HydrophobicContact CE-CB 3.56Å; M25-H67 HydrophobicContact CG-CB 3.79Å; M25-H67 HydrophobicContact SD-CB 4.11Å; T63-H67 PolarHBondContact O-CD2 2.82Å; T63-H67 VanDerWaalsContact O-CD2 3.25Å; T63-H67 PolarHBondContact O-N 3.43Å; T63-H67 VanDerWaalsContact O-N 3.12Å; V65-H67 PolarHBondContact O-N 2.96Å; H67-H69 VanDerWaalsContact C-N 3.31Å; H67-H69 PolarHBondContact O-CD2 2.97Å; H67-H69 PolarHBondContact O-N 3.19Å |
| 68 | K | 90.6 | Very high | 93.8 | Very high | 179 Ų | 179 | 54.8 Ų | 54.8 | 78% | 0.778 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 21.2 | 171.1 | -55.5 | -65.2 | -175.7 | 179.1 | 0 | 115.9 | V65 L66 | V65-K68 PolarHBondContact O-N 3.35Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 3.48Å |
| 69 | H | 92.4 | Very high | 93.9 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | trans | -99.5 | 27.2 | 173.1 | -63.1 | -76.9 | 0 | 0 | 0 | 113.5 | V30 M64 H67 E71 K72 L73 | V30-H69 HydrophobicContact CG1-CB 4.14Å; M64-H69 HydrophobicContact CB-CB 4.49Å; M64-H69 HydrophobicContact CE-CB 4.26Å; M64-H69 WeakPolarHBondContact O-CA 3.49Å; M64-H69 WeakPolarHBondContact O-CB 3.45Å; M64-H69 PolarHBondContact O-N 2.76Å; H67-H69 VanDerWaalsContact C-N 3.31Å; H67-H69 PolarHBondContact O-CD2 2.97Å; H67-H69 PolarHBondContact O-N 3.19Å; H69-E71 VanDerWaalsContact C-N 3.34Å; H69-E71 PolarHBondContact O-N 2.96Å; H69-K72 PolarHBondContact O-N 3.29Å; H69-L73 PolarHBondContact O-N 3.39Å | ||
| 70 | G | 92.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -35.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L73 Y74 Y130 | G70-L73 PolarHBondContact O-N 2.81Å; G70-Y74 WeakPolarHBondContact O-CB 3.39Å; G70-Y74 PolarHBondContact O-N 3.5Å; G70-Y130 VanDerWaalsContact C-CE2 3.45Å |
| 71 | E | 94 | Very high | 94.3 | Very high | 131 Ų | 131 | 49.1 Ų | 49.1 | 61% | 0.612 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -65.3 | -44.4 | 178.4 | -178.2 | -178.5 | -171 | 0 | 0 | 112.3 | H69 L73 Y74 T75 Y130 | H69-E71 VanDerWaalsContact C-N 3.34Å; H69-E71 PolarHBondContact O-N 2.96Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 3.16Å; E71-Y74 PolarHBondContact O-N 3.5Å; E71-T75 WeakPolarHBondContact O-CB 3.26Å; E71-T75 PolarHBondContact O-N 3.37Å; E71-T75 PolarHBondContact O-OG1 3.25Å; E71-Y130 VanDerWaalsContact CA-CZ 3.45Å; E71-Y130 VanDerWaalsContact CA-OH 3.25Å; E71-Y130 WeakPolarHBondContact CA-OH 3.44Å; E71-Y130 HydrophobicContact CB-CE2 3.98Å; E71-Y130 WeakPolarHBondContact CB-OH 3.42Å |
| 72 | K | 93.3 | Very high | 94.5 | Very high | 79 Ų | 79 | 50.5 Ų | 50.5 | 34% | 0.343 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 175.9 | -177.1 | 168.9 | -176.7 | 161.1 | 0 | 111.4 | V30 N31 H69 G76 | V30-K72 HydrophobicContact CG1-CD 4.43Å; N31-K72 PolarHBondContact OD1-NZ 3.2Å; H69-K72 PolarHBondContact O-N 3.29Å; K72-G76 PolarHBondContact O-N 3.34Å |
| 73 | L | 94.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 177.6 | -175.2 | 60.1 | 0 | 0 | 0 | 111.8 | W34 L37 A61 M64 V65 H69 G70 E71 L77 L123 M126 | W34-L73 HydrophobicContact CE3-CD1 3.71Å; W34-L73 HydrophobicContact CZ3-CD1 3.65Å; L37-L73 HydrophobicContact CD1-CD1 3.69Å; A61-L73 HydrophobicContact CB-CD2 4.19Å; M64-L73 HydrophobicContact CB-CD2 4.41Å; M64-L73 HydrophobicContact CE-CB 4.2Å; M64-L73 HydrophobicContact CE-CD1 4.48Å; M64-L73 HydrophobicContact SD-CD1 4.11Å; V65-L73 HydrophobicContact CG2-CD2 3.89Å; H69-L73 PolarHBondContact O-N 3.39Å; G70-L73 PolarHBondContact O-N 2.81Å; E71-L73 VanDerWaalsContact C-N 3.3Å; E71-L73 PolarHBondContact O-N 3.16Å; L73-L77 VanDerWaalsContact O-CB 3.32Å; L73-L77 WeakPolarHBondContact O-CB 3.42Å; L73-L77 PolarHBondContact O-N 2.82Å; L73-L123 HydrophobicContact CD1-CD2 4.13Å; L73-L123 HydrophobicContact CD2-CD2 4.09Å; L73-L123 HydrophobicContact CG-CD2 4.31Å; L73-M126 HydrophobicContact CB-SD 3.95Å; L73-M126 HydrophobicContact CD2-CB 4.32Å; L73-M126 HydrophobicContact CD2-CG 4.37Å; L73-M126 HydrophobicContact CD2-SD 3.74Å; L73-M126 HydrophobicContact CG-SD 3.59Å; L73-M126 VanDerWaalsContact CG-SD 3.59Å |
| 74 | Y | 96.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.4 | -45.3 | 179.5 | -172.2 | -91.2 | 0 | 0 | 0 | 112.6 | G70 E71 L77 R78 M126 Y130 V131 V136 E137 L142 | G70-Y74 WeakPolarHBondContact O-CB 3.39Å; G70-Y74 PolarHBondContact O-N 3.5Å; E71-Y74 PolarHBondContact O-N 3.5Å; Y74-L77 PolarHBondContact O-N 3.45Å; Y74-R78 PolarHBondContact O-N 3.24Å; Y74-M126 HydrophobicContact CD2-CE 3.9Å; Y74-M126 HydrophobicContact CD2-SD 4.29Å; Y74-Y130 HydrophobicContact CD1-CE1 4.47Å; Y74-Y130 HydrophobicContact CD2-CD1 4.32Å; Y74-Y130 HydrophobicContact CD2-CE1 4.18Å; Y74-Y130 HydrophobicContact CG-CD1 4.37Å; Y74-Y130 AromaticContact CG-CE1 3.85Å; Y74-Y130 HydrophobicContact CG-CE1 3.85Å; Y74-V131 HydrophobicContact CD2-CG2 4.14Å; Y74-V131 HydrophobicContact CE2-CG2 3.99Å; Y74-V136 HydrophobicContact CD2-CG2 4.29Å; Y74-V136 HydrophobicContact CE1-CB 4.32Å; Y74-V136 HydrophobicContact CE1-CG2 4.24Å; Y74-V136 HydrophobicContact CE2-CB 4.5Å; Y74-V136 HydrophobicContact CE2-CG2 3.81Å; Y74-E137 WeakPolarHBondContact CE2-O 3.26Å; Y74-E137 PolarHBondContact OH-N 3.3Å; Y74-E137 PolarHBondContact OH-O 2.98Å; Y74-L142 HydrophobicContact CE1-CD2 4.19Å; Y74-L142 HydrophobicContact CE2-CD2 4.01Å |
| 75 | T | 95.9 | Very high | 95.1 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.1 | -43.2 | 179.1 | -50.3 | 0 | 0 | 0 | 0 | 110.7 | E71 L77 R78 E79 | E71-T75 WeakPolarHBondContact O-CB 3.26Å; E71-T75 PolarHBondContact O-N 3.37Å; E71-T75 PolarHBondContact O-OG1 3.25Å; T75-L77 PolarHBondContact O-N 2.96Å; T75-R78 WeakPolarHBondContact O-CB 3.49Å; T75-R78 PolarHBondContact O-N 2.98Å; T75-E79 WeakPolarHBondContact O-CG 3.24Å; T75-E79 PolarHBondContact O-N 3.01Å |
| 76 | G | 96.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W34 K72 R78 E79 V80 | W34-G76 VanDerWaalsContact CH2-CA 3.49Å; W34-G76 WeakPolarHBondContact CH2-O 3.44Å; W34-G76 WeakPolarHBondContact CZ2-O 3.48Å; K72-G76 PolarHBondContact O-N 3.34Å; G76-R78 VanDerWaalsContact C-N 3.34Å; G76-R78 PolarHBondContact O-N 2.98Å; G76-E79 PolarHBondContact O-N 3.49Å; G76-V80 VanDerWaalsContact O-CG2 3.26Å; G76-V80 WeakPolarHBondContact O-CG2 3.37Å; G76-V80 PolarHBondContact O-N 3.35Å |
| 77 | L | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.4 | -48.9 | 173.1 | 168.2 | 68.9 | 0 | 0 | 0 | 110.8 | I41 L73 Y74 T75 E79 V80 V81 I119 L123 M126 V139 L142 | I41-L77 HydrophobicContact CD1-CD1 3.96Å; L73-L77 VanDerWaalsContact O-CB 3.32Å; L73-L77 WeakPolarHBondContact O-CB 3.42Å; L73-L77 PolarHBondContact O-N 2.82Å; Y74-L77 PolarHBondContact O-N 3.45Å; T75-L77 PolarHBondContact O-N 2.96Å; L77-E79 VanDerWaalsContact C-N 3.3Å; L77-E79 PolarHBondContact O-N 3.3Å; L77-V80 PolarHBondContact O-N 3.48Å; L77-V81 HydrophobicContact CD1-CG2 3.74Å; L77-V81 HydrophobicContact CG-CG2 4.4Å; L77-V81 WeakPolarHBondContact O-CB 3.25Å; L77-V81 WeakPolarHBondContact O-CG2 3.27Å; L77-V81 PolarHBondContact O-N 2.98Å; L77-I119 HydrophobicContact CD1-CG2 3.56Å; L77-L123 HydrophobicContact CB-CD1 4.47Å; L77-L123 HydrophobicContact CD1-CD1 3.99Å; L77-L123 HydrophobicContact CD2-CD1 3.72Å; L77-L123 HydrophobicContact CG-CD1 4.26Å; L77-M126 HydrophobicContact CD2-CE 4.02Å; L77-V139 HydrophobicContact CD2-CB 4.33Å; L77-V139 HydrophobicContact CD2-CG1 3.89Å; L77-V139 HydrophobicContact CD2-CG2 3.82Å; L77-L142 HydrophobicContact CD2-CD2 4.08Å; L77-L142 HydrophobicContact CG-CD2 4.44Å |
| 78 | R | 97.7 | Very high | 95.9 | Very high | 112 Ų | 112 | 55.7 Ų | 55.7 | 42% | 0.423 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.1 | -46.7 | 178.1 | 179.1 | -179.1 | -71.4 | -138.5 | -2.6 | 110.9 | Y74 T75 G76 T82 L142 I146 | Y74-R78 PolarHBondContact O-N 3.24Å; T75-R78 WeakPolarHBondContact O-CB 3.49Å; T75-R78 PolarHBondContact O-N 2.98Å; G76-R78 VanDerWaalsContact C-N 3.34Å; G76-R78 PolarHBondContact O-N 2.98Å; R78-T82 WeakPolarHBondContact O-CB 3.45Å; R78-T82 PolarHBondContact O-N 2.91Å; R78-T82 PolarHBondContact O-OG1 3.27Å; R78-L142 HydrophobicContact CB-CD2 4.18Å; R78-L142 HydrophobicContact CG-CD1 4.36Å; R78-I146 HydrophobicContact CG-CD1 4.07Å |
| 79 | E | 97.6 | Very high | 96.2 | Very high | 119 Ų | 119 | 47.9 Ų | 47.9 | 56% | 0.556 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -61.7 | -49.9 | 179.2 | -72.8 | 171.9 | -175.5 | 0 | 0 | 112 | T75 G76 L77 V81 T82 E83 | T75-E79 WeakPolarHBondContact O-CG 3.24Å; T75-E79 PolarHBondContact O-N 3.01Å; G76-E79 PolarHBondContact O-N 3.49Å; L77-E79 VanDerWaalsContact C-N 3.3Å; L77-E79 PolarHBondContact O-N 3.3Å; E79-V81 PolarHBondContact O-N 3.46Å; E79-T82 PolarHBondContact O-N 2.92Å; E79-E83 WeakPolarHBondContact O-CB 3.39Å; E79-E83 PolarHBondContact O-N 3.07Å |
| 80 | V | 97.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | -178.4 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | W34 K38 I41 Q42 G76 L77 H84 | W34-V80 HydrophobicContact CH2-CG2 4.12Å; W34-V80 HydrophobicContact CZ2-CG2 3.89Å; K38-V80 HydrophobicContact CB-CG2 4.36Å; K38-V80 HydrophobicContact CD-CG2 3.83Å; K38-V80 HydrophobicContact CG-CG2 3.67Å; I41-V80 HydrophobicContact CB-CG1 4.28Å; I41-V80 HydrophobicContact CG2-CG1 3.67Å; Q42-V80 HydrophobicContact CG-CG1 3.85Å; G76-V80 VanDerWaalsContact O-CG2 3.26Å; G76-V80 WeakPolarHBondContact O-CG2 3.37Å; G76-V80 PolarHBondContact O-N 3.35Å; L77-V80 PolarHBondContact O-N 3.48Å; V80-H84 PolarHBondContact O-N 2.85Å; V80-H84 VanDerWaalsContact O-N 3.14Å |
| 81 | V | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -42.7 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | L77 E79 H84 L85 M116 I146 | L77-V81 HydrophobicContact CD1-CG2 3.74Å; L77-V81 HydrophobicContact CG-CG2 4.4Å; L77-V81 WeakPolarHBondContact O-CB 3.25Å; L77-V81 WeakPolarHBondContact O-CG2 3.27Å; L77-V81 PolarHBondContact O-N 2.98Å; E79-V81 PolarHBondContact O-N 3.46Å; V81-H84 PolarHBondContact O-N 3.01Å; V81-L85 HydrophobicContact CG1-CD1 3.86Å; V81-L85 HydrophobicContact CG1-CG 4.37Å; V81-L85 WeakPolarHBondContact O-CB 3.34Å; V81-L85 VanDerWaalsContact O-CG 3.29Å; V81-L85 WeakPolarHBondContact O-CG 3.15Å; V81-L85 PolarHBondContact O-N 3.31Å; V81-M116 HydrophobicContact CG1-SD 4.32Å; V81-M116 HydrophobicContact CG2-SD 4.18Å; V81-I146 HydrophobicContact CB-CD1 3.99Å; V81-I146 HydrophobicContact CG1-CB 4.4Å; V81-I146 HydrophobicContact CG1-CD1 3.8Å; V81-I146 HydrophobicContact CG1-CG2 4.36Å |
| 82 | T | 98.2 | Very high | 96.6 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 19% | 0.19 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 177 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | R78 E79 H84 L85 I86 I146 Q150 | R78-T82 WeakPolarHBondContact O-CB 3.45Å; R78-T82 PolarHBondContact O-N 2.91Å; R78-T82 PolarHBondContact O-OG1 3.27Å; E79-T82 PolarHBondContact O-N 2.92Å; T82-H84 PolarHBondContact O-N 3.34Å; T82-L85 PolarHBondContact O-N 3.48Å; T82-I86 HydrophobicContact CG2-CD1 3.57Å; T82-I86 HydrophobicContact CG2-CG1 4.24Å; T82-I86 WeakPolarHBondContact O-CB 3.29Å; T82-I86 VanDerWaalsContact O-CG1 3.28Å; T82-I86 WeakPolarHBondContact O-CG1 3.43Å; T82-I86 PolarHBondContact O-N 3.46Å; T82-I146 WeakPolarHBondContact OG1-CG2 3.28Å; T82-Q150 HydrophobicContact CG2-CG 4.31Å |
| 83 | E | 97.5 | Very high | 96.8 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 43% | 0.43 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.7 | -46 | -179.7 | -170.3 | -176.3 | 177.6 | 0 | 0 | 111.5 | E79 I86 N87 | E79-E83 WeakPolarHBondContact O-CB 3.39Å; E79-E83 PolarHBondContact O-N 3.07Å; E83-I86 PolarHBondContact O-N 3.04Å; E83-N87 VanDerWaalsContact CG-ND2 3.28Å; E83-N87 WeakPolarHBondContact CG-ND2 3.46Å; E83-N87 VanDerWaalsContact O-CB 3.27Å; E83-N87 WeakPolarHBondContact O-CB 3.19Å; E83-N87 PolarHBondContact O-N 3.46Å; E83-N87 PolarHBondContact O-ND2 2.88Å |
| 84 | H | 97.4 | Very high | 96.9 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.5 | 177.8 | 71.1 | 0 | 0 | 0 | 112.3 | Q45 V80 V81 T82 I86 K88 V89 | Q45-H84 VanDerWaalsContact OE1-CB 3.28Å; V80-H84 PolarHBondContact O-N 2.85Å; V80-H84 VanDerWaalsContact O-N 3.14Å; V81-H84 PolarHBondContact O-N 3.01Å; T82-H84 PolarHBondContact O-N 3.34Å; H84-I86 PolarHBondContact O-N 2.71Å; H84-K88 WeakPolarHBondContact O-CB 3.32Å; H84-K88 PolarHBondContact O-N 3.5Å; H84-K88 VanDerWaalsContact O-N 3.08Å; H84-V89 PolarHBondContact O-N 3.4Å |
| 85 | L | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -66.5 | -37.3 | -179.4 | -72.3 | 177.8 | 0 | 0 | 0 | 112.4 | V81 T82 V89 R90 I146 F147 V151 | V81-L85 HydrophobicContact CG1-CD1 3.86Å; V81-L85 HydrophobicContact CG1-CG 4.37Å; V81-L85 WeakPolarHBondContact O-CB 3.34Å; V81-L85 VanDerWaalsContact O-CG 3.29Å; V81-L85 WeakPolarHBondContact O-CG 3.15Å; V81-L85 PolarHBondContact O-N 3.31Å; T82-L85 PolarHBondContact O-N 3.48Å; L85-V89 HydrophobicContact CD2-CB 3.96Å; L85-V89 HydrophobicContact CD2-CG1 4.2Å; L85-V89 HydrophobicContact CD2-CG2 3.87Å; L85-R90 VanDerWaalsContact O-CB 3.28Å; L85-R90 WeakPolarHBondContact O-CB 3.42Å; L85-R90 PolarHBondContact O-N 2.87Å; L85-I146 HydrophobicContact CD1-CB 3.97Å; L85-I146 HydrophobicContact CD1-CG2 3.52Å; L85-F147 HydrophobicContact CD1-CB 4.23Å; L85-F147 HydrophobicContact CD1-CD2 4.47Å; L85-F147 HydrophobicContact CD2-CD2 3.75Å; L85-F147 HydrophobicContact CD2-CE2 4.32Å; L85-V151 HydrophobicContact CB-CG2 4.14Å; L85-V151 HydrophobicContact CD2-CG2 4.13Å |
| 86 | I | 97.5 | Very high | 96.8 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -73.9 | -53.8 | 177.2 | -66.4 | 176.3 | 0 | 0 | 0 | 111 | T82 E83 H84 K88 Q150 | T82-I86 HydrophobicContact CG2-CD1 3.57Å; T82-I86 HydrophobicContact CG2-CG1 4.24Å; T82-I86 WeakPolarHBondContact O-CB 3.29Å; T82-I86 VanDerWaalsContact O-CG1 3.28Å; T82-I86 WeakPolarHBondContact O-CG1 3.43Å; T82-I86 PolarHBondContact O-N 3.46Å; E83-I86 PolarHBondContact O-N 3.04Å; H84-I86 PolarHBondContact O-N 2.71Å; I86-K88 PolarHBondContact O-N 3.36Å; I86-Q150 HydrophobicContact CG1-CB 4.18Å; I86-Q150 HydrophobicContact CG1-CG 4.36Å |
| 87 | N | 95.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 50 Ų | 50 | 56% | 0.556 | 24% | 0.243 | S | C | * | . | I | π-helix | trans | -82.8 | -17 | -165.9 | -64.5 | -23.2 | 0 | 0 | 0 | 113.5 | E83 | E83-N87 VanDerWaalsContact CG-ND2 3.28Å; E83-N87 WeakPolarHBondContact CG-ND2 3.46Å; E83-N87 VanDerWaalsContact O-CB 3.27Å; E83-N87 WeakPolarHBondContact O-CB 3.19Å; E83-N87 PolarHBondContact O-N 3.46Å; E83-N87 PolarHBondContact O-ND2 2.88Å |
| 88 | K | 95.6 | Very high | 96.2 | Very high | 105 Ų | 105 | 57.6 Ų | 57.6 | 46% | 0.457 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -123.2 | -61.2 | -179.3 | -176.1 | 53 | 178.3 | 152.2 | 0 | 112.7 | H84 I86 E91 D92 | H84-K88 WeakPolarHBondContact O-CB 3.32Å; H84-K88 PolarHBondContact O-N 3.5Å; H84-K88 VanDerWaalsContact O-N 3.08Å; I86-K88 PolarHBondContact O-N 3.36Å; K88-E91 PolarHBondContact O-N 3.34Å; K88-D92 WeakPolarHBondContact CD-OD2 3.28Å; K88-D92 WeakPolarHBondContact CE-OD2 3.42Å; K88-D92 IonicContact NZ-OD1 3.72Å; K88-D92 PolarHBondContact NZ-OD1 3.4Å; K88-D92 IonicContact NZ-OD2 2.75Å; K88-D92 PolarHBondContact NZ-OD2 2.89Å; K88-D92 VanDerWaalsContact O-CG 3.26Å; K88-D92 PolarHBondContact O-N 3.29Å |
| 89 | V | 97.1 | Very high | 95.9 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -67.1 | -47.9 | -170.7 | 179.9 | 0 | 0 | 0 | 0 | 112 | H84 L85 E91 D92 V93 A108 F147 V151 | H84-V89 PolarHBondContact O-N 3.4Å; L85-V89 HydrophobicContact CD2-CB 3.96Å; L85-V89 HydrophobicContact CD2-CG1 4.2Å; L85-V89 HydrophobicContact CD2-CG2 3.87Å; V89-E91 PolarHBondContact O-N 2.99Å; V89-D92 PolarHBondContact O-N 2.97Å; V89-V93 WeakPolarHBondContact O-CG2 3.42Å; V89-V93 PolarHBondContact O-N 3.32Å; V89-A108 HydrophobicContact CG1-CB 3.74Å; V89-F147 HydrophobicContact CG1-CE2 4.17Å; V89-V151 HydrophobicContact CG1-CG1 4.38Å; V89-V151 HydrophobicContact CG1-CG2 4.19Å |
| 90 | R | 97 | Very high | 95.6 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -58.3 | -48.3 | 176.3 | 178.8 | -166.4 | -66.6 | 175.1 | -1.4 | 111 | L85 D92 V93 L94 Q150 Y154 I157 | L85-R90 VanDerWaalsContact O-CB 3.28Å; L85-R90 WeakPolarHBondContact O-CB 3.42Å; L85-R90 PolarHBondContact O-N 2.87Å; R90-D92 PolarHBondContact O-N 2.96Å; R90-V93 PolarHBondContact O-N 3.39Å; R90-L94 HydrophobicContact CG-CD1 3.95Å; R90-L94 HydrophobicContact CG-CG 4.23Å; R90-L94 VanDerWaalsContact O-CG 3.3Å; R90-L94 WeakPolarHBondContact O-CG 3.48Å; R90-L94 PolarHBondContact O-N 3.25Å; R90-Q150 PolarHBondContact NE-O 2.94Å; R90-Q150 VanDerWaalsContact NH2-CA 3.29Å; R90-Q150 PolarHBondContact NH2-O 3.42Å; R90-Y154 HydrophobicContact CG-CD1 4.25Å; R90-Y154 HydrophobicContact CG-CG 4.4Å; R90-I157 HydrophobicContact CG-CD1 4.03Å |
| 91 | E | 96 | Very high | 95.5 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 179.5 | -68.3 | -58.5 | 130.8 | 0 | 0 | 112.1 | K88 V89 V93 L94 N95 | K88-E91 PolarHBondContact O-N 3.34Å; V89-E91 PolarHBondContact O-N 2.99Å; E91-V93 VanDerWaalsContact C-N 3.32Å; E91-V93 PolarHBondContact O-N 2.93Å; E91-L94 PolarHBondContact O-N 2.8Å; E91-N95 WeakPolarHBondContact O-CB 3.47Å; E91-N95 PolarHBondContact O-N 3.34Å; E91-N95 PolarHBondContact O-ND2 3.15Å |
| 92 | D | 95.3 | Very high | 95.5 | Very high | 63 Ų | 63 | 58 Ų | 58 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 175.8 | -70.4 | -17.7 | 0 | 0 | 0 | 111.6 | K88 V89 R90 N95 S96 | K88-D92 WeakPolarHBondContact CD-OD2 3.28Å; K88-D92 WeakPolarHBondContact CE-OD2 3.42Å; K88-D92 IonicContact NZ-OD1 3.72Å; K88-D92 PolarHBondContact NZ-OD1 3.4Å; K88-D92 IonicContact NZ-OD2 2.75Å; K88-D92 PolarHBondContact NZ-OD2 2.89Å; K88-D92 VanDerWaalsContact O-CG 3.26Å; K88-D92 PolarHBondContact O-N 3.29Å; V89-D92 PolarHBondContact O-N 2.97Å; R90-D92 PolarHBondContact O-N 2.96Å; D92-N95 PolarHBondContact O-N 2.89Å; D92-S96 PolarHBondContact O-N 2.93Å |
| 93 | V | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 175.9 | 175 | 0 | 0 | 0 | 0 | 111.2 | V89 R90 E91 N95 S96 L97 F101 L105 A108 V151 I157 | V89-V93 WeakPolarHBondContact O-CG2 3.42Å; V89-V93 PolarHBondContact O-N 3.32Å; R90-V93 PolarHBondContact O-N 3.39Å; E91-V93 VanDerWaalsContact C-N 3.32Å; E91-V93 PolarHBondContact O-N 2.93Å; V93-N95 VanDerWaalsContact C-N 3.34Å; V93-N95 PolarHBondContact O-N 3.42Å; V93-S96 PolarHBondContact O-N 2.89Å; V93-S96 PolarHBondContact O-OG 3.3Å; V93-L97 PolarHBondContact O-N 2.82Å; V93-F101 HydrophobicContact CG1-CD2 4.17Å; V93-F101 HydrophobicContact CG1-CE2 3.58Å; V93-L105 HydrophobicContact CG1-CD1 4.22Å; V93-L105 HydrophobicContact CG2-CD1 4.09Å; V93-A108 HydrophobicContact CG2-CB 4.39Å; V93-V151 HydrophobicContact CG2-CG1 4.21Å; V93-I157 HydrophobicContact CB-CD1 4.07Å; V93-I157 HydrophobicContact CG1-CD1 3.65Å; V93-I157 HydrophobicContact CG1-CG1 3.99Å; V93-I157 HydrophobicContact CG1-CG2 4.02Å |
| 94 | L | 95.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 60.7 Ų | 60.7 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 176.5 | -72.9 | 174.6 | 0 | 0 | 0 | 112.1 | R90 E91 S96 L97 Y154 C156 I157 | R90-L94 HydrophobicContact CG-CD1 3.95Å; R90-L94 HydrophobicContact CG-CG 4.23Å; R90-L94 VanDerWaalsContact O-CG 3.3Å; R90-L94 WeakPolarHBondContact O-CG 3.48Å; R90-L94 PolarHBondContact O-N 3.25Å; E91-L94 PolarHBondContact O-N 2.8Å; L94-S96 PolarHBondContact O-N 3.3Å; L94-L97 HydrophobicContact CD2-CD1 4.09Å; L94-L97 WeakPolarHBondContact O-CD1 3.46Å; L94-L97 VanDerWaalsContact O-CG 3.26Å; L94-L97 WeakPolarHBondContact O-CG 3.26Å; L94-L97 PolarHBondContact O-N 2.91Å; L94-Y154 HydrophobicContact CD1-CE1 3.99Å; L94-Y154 HydrophobicContact CD2-CD1 4.07Å; L94-Y154 HydrophobicContact CD2-CE1 3.97Å; L94-C156 WeakPolarHBondContact CD2-SG 3.24Å; L94-I157 HydrophobicContact CD2-CD1 3.96Å; L94-I157 HydrophobicContact CD2-CG1 3.73Å; L94-I157 HydrophobicContact CG-CD1 4.12Å; L94-I157 HydrophobicContact CG-CG1 4.4Å |
| 95 | N | 95.3 | Very high | 95.3 | Very high | 128 Ų | 128 | 58.9 Ų | 58.9 | 68% | 0.684 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.8 | -21.4 | 177.6 | -70.8 | -38.9 | 0 | 0 | 0 | 112.7 | E91 D92 V93 | E91-N95 WeakPolarHBondContact O-CB 3.47Å; E91-N95 PolarHBondContact O-N 3.34Å; E91-N95 PolarHBondContact O-ND2 3.15Å; D92-N95 PolarHBondContact O-N 2.89Å; V93-N95 VanDerWaalsContact C-N 3.34Å; V93-N95 PolarHBondContact O-N 3.42Å |
| 96 | S | 95.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 60.9 Ų | 60.9 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -1.3 | -179.7 | 75 | 0 | 0 | 0 | 0 | 115.2 | D92 V93 L94 N98 N99 F101 T104 | D92-S96 PolarHBondContact O-N 2.93Å; V93-S96 PolarHBondContact O-N 2.89Å; V93-S96 PolarHBondContact O-OG 3.3Å; L94-S96 PolarHBondContact O-N 3.3Å; S96-N98 VanDerWaalsContact C-N 3.27Å; S96-N98 PolarHBondContact O-N 2.65Å; S96-N98 VanDerWaalsContact O-N 3.14Å; S96-N99 CarbonylContact C-O 3.46Å; S96-N99 CarbonylContact O-C 3.55Å; S96-N99 VanDerWaalsContact O-C 3.24Å; S96-N99 PolarHBondContact O-N 2.79Å; S96-F101 VanDerWaalsContact O-CA 3.3Å; S96-F101 WeakPolarHBondContact O-CA 3.35Å; S96-F101 WeakPolarHBondContact O-CB 3.4Å; S96-F101 PolarHBondContact O-N 2.87Å; S96-T104 WeakPolarHBondContact CB-OG1 3.47Å; S96-T104 WeakPolarHBondContact OG-CB 3.26Å |
| 97 | L | 93.2 | Very high | 95.3 | Very high | 34 Ų | 34 | 63.2 Ų | 63.2 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -45 | -174.4 | -71 | 170.2 | 0 | 0 | 0 | 112.7 | V93 L94 F101 H160 | V93-L97 PolarHBondContact O-N 2.82Å; L94-L97 HydrophobicContact CD2-CD1 4.09Å; L94-L97 WeakPolarHBondContact O-CD1 3.46Å; L94-L97 VanDerWaalsContact O-CG 3.26Å; L94-L97 WeakPolarHBondContact O-CG 3.26Å; L94-L97 PolarHBondContact O-N 2.91Å; L97-F101 HydrophobicContact CD2-CD2 3.75Å; L97-F101 HydrophobicContact CD2-CE2 3.6Å; L97-F101 HydrophobicContact CD2-CZ 4.37Å; L97-H160 HydrophobicContact CD2-CB 3.82Å; L97-H160 PolarHBondContact O-CE1 3.39Å; L97-H160 PolarHBondContact O-NE2 2.79Å |
| 98 | N | 88.7 | Confident | 95.3 | Very high | 160 Ų | 160 | 59 Ų | 59 | 86% | 0.856 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -2.6 | -178.2 | -61.7 | -43.9 | 0 | 0 | 0 | 114.2 | S96 | S96-N98 VanDerWaalsContact C-N 3.27Å; S96-N98 PolarHBondContact O-N 2.65Å; S96-N98 VanDerWaalsContact O-N 3.14Å |
| 99 | N | 90.3 | Very high | 95.4 | Very high | 113 Ų | 113 | 54.3 Ų | 54.3 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.5 | 120.4 | -177.8 | -169.7 | 16.6 | 0 | 0 | 0 | 112.2 | S96 F101 | S96-N99 CarbonylContact C-O 3.46Å; S96-N99 CarbonylContact O-C 3.55Å; S96-N99 VanDerWaalsContact O-C 3.24Å; S96-N99 PolarHBondContact O-N 2.79Å; N99-F101 PolarHBondContact O-N 3.34Å |
| 100 | N | 91.2 | Very high | 95.4 | Very high | 94 Ų | 94 | 56.5 Ų | 56.5 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 24.4 | -178.9 | -55.9 | -43.3 | 0 | 0 | 0 | 114.9 | L102 Q103 T104 | N100-L102 PolarHBondContact O-N 3.26Å; N100-Q103 HydrophobicContact CB-CB 4.43Å; N100-Q103 PolarHBondContact O-N 3.33Å; N100-Q103 VanDerWaalsContact O-N 3.12Å; N100-T104 PolarHBondContact O-N 2.81Å; N100-T104 PolarHBondContact O-OG1 3.46Å |
| 101 | F | 96.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 4% | 0.044 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -48.9 | -57.4 | -176.6 | 173.6 | -111.2 | 0 | 0 | 0 | 114.2 | V93 S96 L97 N99 Q103 T104 L105 I157 H160 L161 | V93-F101 HydrophobicContact CG1-CD2 4.17Å; V93-F101 HydrophobicContact CG1-CE2 3.58Å; S96-F101 VanDerWaalsContact O-CA 3.3Å; S96-F101 WeakPolarHBondContact O-CA 3.35Å; S96-F101 WeakPolarHBondContact O-CB 3.4Å; S96-F101 PolarHBondContact O-N 2.87Å; L97-F101 HydrophobicContact CD2-CD2 3.75Å; L97-F101 HydrophobicContact CD2-CE2 3.6Å; L97-F101 HydrophobicContact CD2-CZ 4.37Å; N99-F101 PolarHBondContact O-N 3.34Å; F101-Q103 VanDerWaalsContact C-N 3.27Å; F101-Q103 PolarHBondContact O-N 3.11Å; F101-T104 PolarHBondContact O-N 3.45Å; F101-L105 HydrophobicContact CE1-CD2 4.22Å; F101-L105 HydrophobicContact CE2-CD2 4.44Å; F101-L105 HydrophobicContact CZ-CD2 3.84Å; F101-L105 WeakPolarHBondContact O-CB 3.35Å; F101-L105 PolarHBondContact O-N 3.23Å; F101-I157 HydrophobicContact CE2-CG2 4.21Å; F101-I157 HydrophobicContact CZ-CG2 4.11Å; F101-H160 AromaticContact CD1-CD2 3.68Å; F101-H160 AromaticContact CE1-CD2 3.86Å; F101-H160 AromaticContact CG-CD2 3.85Å; F101-L161 HydrophobicContact CE1-CB 3.9Å; F101-L161 HydrophobicContact CE1-CD1 3.89Å; F101-L161 HydrophobicContact CZ-CB 3.98Å; F101-L161 HydrophobicContact CZ-CD1 4.48Å |
| 102 | L | 96.1 | Very high | 95.5 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -34.3 | -178 | -67.7 | -178 | 0 | 0 | 0 | 112.3 | N100 N106 L161 T164 L165 M168 A182 | N100-L102 PolarHBondContact O-N 3.26Å; L102-N106 WeakPolarHBondContact O-CB 3.5Å; L102-N106 PolarHBondContact O-N 2.91Å; L102-L161 HydrophobicContact CD2-CD1 3.54Å; L102-T164 HydrophobicContact CD1-CG2 3.95Å; L102-T164 HydrophobicContact CD2-CG2 4.38Å; L102-T164 HydrophobicContact CG-CG2 4.06Å; L102-L165 HydrophobicContact CD1-CD2 4.28Å; L102-L165 HydrophobicContact CD2-CD2 4.32Å; L102-M168 HydrophobicContact CD1-CE 4.5Å; L102-M168 HydrophobicContact CD1-SD 3.59Å; L102-M168 VanDerWaalsContact CD1-SD 3.59Å; L102-A182 HydrophobicContact CB-CB 4.47Å; L102-A182 HydrophobicContact CD1-CB 3.94Å |
| 103 | Q | 95.8 | Very high | 95.6 | Very high | 137 Ų | 137 | 52.6 Ų | 52.6 | 64% | 0.64 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -69 | -47.1 | 177.8 | -174.6 | -179 | -1.5 | 0 | 0 | 110.9 | N100 F101 N106 Q107 | N100-Q103 HydrophobicContact CB-CB 4.43Å; N100-Q103 PolarHBondContact O-N 3.33Å; N100-Q103 VanDerWaalsContact O-N 3.12Å; F101-Q103 VanDerWaalsContact C-N 3.27Å; F101-Q103 PolarHBondContact O-N 3.11Å; Q103-N106 PolarHBondContact O-N 3.34Å; Q103-Q107 WeakPolarHBondContact O-CB 3.28Å; Q103-Q107 PolarHBondContact O-N 3.21Å |
| 104 | T | 96.8 | Very high | 95.6 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 26% | 0.264 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 177.2 | -60 | 0 | 0 | 0 | 0 | 111.1 | S96 N100 F101 Q107 A108 | S96-T104 WeakPolarHBondContact CB-OG1 3.47Å; S96-T104 WeakPolarHBondContact OG-CB 3.26Å; N100-T104 PolarHBondContact O-N 2.81Å; N100-T104 PolarHBondContact O-OG1 3.46Å; F101-T104 PolarHBondContact O-N 3.45Å; T104-Q107 PolarHBondContact O-N 2.98Å; T104-A108 WeakPolarHBondContact O-CB 3.31Å; T104-A108 PolarHBondContact O-N 2.78Å |
| 105 | L | 97.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.7 | -178.4 | 59.7 | 0 | 0 | 0 | 111.9 | V93 F101 Q107 A108 W109 F147 V151 L161 M189 | V93-L105 HydrophobicContact CG1-CD1 4.22Å; V93-L105 HydrophobicContact CG2-CD1 4.09Å; F101-L105 HydrophobicContact CE1-CD2 4.22Å; F101-L105 HydrophobicContact CE2-CD2 4.44Å; F101-L105 HydrophobicContact CZ-CD2 3.84Å; F101-L105 WeakPolarHBondContact O-CB 3.35Å; F101-L105 PolarHBondContact O-N 3.23Å; L105-Q107 PolarHBondContact O-N 3.04Å; L105-A108 PolarHBondContact O-N 3.42Å; L105-W109 WeakPolarHBondContact O-CB 3.27Å; L105-W109 PolarHBondContact O-N 2.92Å; L105-F147 HydrophobicContact CD1-CZ 4.32Å; L105-V151 HydrophobicContact CD1-CG1 4.28Å; L105-L161 HydrophobicContact CD2-CD1 4.01Å; L105-L161 HydrophobicContact CD2-CD2 4.08Å; L105-M189 HydrophobicContact CD2-CE 3.98Å; L105-M189 HydrophobicContact CG-CE 4.29Å; L105-M189 HydrophobicContact CG-SD 4.34Å |
| 106 | N | 97.1 | Very high | 95.7 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 177.4 | -174.2 | 53.7 | 0 | 0 | 0 | 111.8 | L102 Q103 W109 N110 | L102-N106 WeakPolarHBondContact O-CB 3.5Å; L102-N106 PolarHBondContact O-N 2.91Å; Q103-N106 PolarHBondContact O-N 3.34Å; N106-W109 PolarHBondContact O-N 3.33Å; N106-N110 VanDerWaalsContact O-CG 3.25Å; N106-N110 PolarHBondContact O-N 3.48Å; N106-N110 PolarHBondContact O-ND2 3.28Å |
| 107 | Q | 96.8 | Very high | 95.8 | Very high | 96 Ų | 96 | 51.5 Ų | 51.5 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 175.7 | -173.5 | 59.8 | 54 | 0 | 0 | 111.1 | Q103 T104 L105 W109 N110 D111 | Q103-Q107 WeakPolarHBondContact O-CB 3.28Å; Q103-Q107 PolarHBondContact O-N 3.21Å; T104-Q107 PolarHBondContact O-N 2.98Å; L105-Q107 PolarHBondContact O-N 3.04Å; Q107-W109 VanDerWaalsContact C-N 3.26Å; Q107-W109 PolarHBondContact O-N 2.83Å; Q107-N110 PolarHBondContact O-N 2.98Å; Q107-D111 VanDerWaalsContact NE2-CG 3.33Å; Q107-D111 PolarHBondContact NE2-OD1 2.9Å; Q107-D111 PolarHBondContact NE2-OD2 2.89Å; Q107-D111 WeakPolarHBondContact O-CB 3.28Å; Q107-D111 PolarHBondContact O-N 2.87Å |
| 108 | A | 96.9 | Very high | 95.9 | Very high | 15 Ų | 15 | 51.5 Ų | 51.5 | 12% | 0.124 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.7 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V89 V93 T104 L105 H112 | V89-A108 HydrophobicContact CG1-CB 3.74Å; V93-A108 HydrophobicContact CG2-CB 4.39Å; T104-A108 WeakPolarHBondContact O-CB 3.31Å; T104-A108 PolarHBondContact O-N 2.78Å; L105-A108 PolarHBondContact O-N 3.42Å; A108-H112 VanDerWaalsContact O-CB 3.28Å; A108-H112 WeakPolarHBondContact O-CB 3.33Å; A108-H112 PolarHBondContact O-N 3.43Å |
| 109 | W | 97.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 44 Ų | 44 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -51.1 | 175.3 | 171.1 | -117.3 | 0 | 0 | 0 | 112.4 | L105 N106 Q107 D111 H112 Q113 L144 F147 M189 I192 L193 | L105-W109 WeakPolarHBondContact O-CB 3.27Å; L105-W109 PolarHBondContact O-N 2.92Å; N106-W109 PolarHBondContact O-N 3.33Å; Q107-W109 VanDerWaalsContact C-N 3.26Å; Q107-W109 PolarHBondContact O-N 2.83Å; W109-D111 VanDerWaalsContact C-N 3.3Å; W109-D111 PolarHBondContact O-N 3.26Å; W109-H112 PolarHBondContact O-N 3.01Å; W109-Q113 HydrophobicContact CD2-CG 3.98Å; W109-Q113 HydrophobicContact CE3-CG 4.18Å; W109-Q113 HydrophobicContact CH2-CG 3.94Å; W109-Q113 HydrophobicContact CZ2-CG 3.67Å; W109-Q113 HydrophobicContact CZ3-CG 4.16Å; W109-Q113 WeakPolarHBondContact O-CG 3.35Å; W109-Q113 PolarHBondContact O-N 3.47Å; W109-L144 HydrophobicContact CH2-CD2 3.53Å; W109-L144 HydrophobicContact CZ3-CD2 3.8Å; W109-F147 HydrophobicContact CB-CE1 4.29Å; W109-F147 HydrophobicContact CB-CZ 3.99Å; W109-F147 HydrophobicContact CD2-CE1 4.4Å; W109-F147 AromaticContact CE3-CD1 3.63Å; W109-F147 HydrophobicContact CE3-CD1 3.63Å; W109-F147 HydrophobicContact CE3-CD2 4.47Å; W109-F147 AromaticContact CE3-CE1 3.61Å; W109-F147 HydrophobicContact CE3-CE1 3.61Å; W109-F147 HydrophobicContact CE3-CE2 4.47Å; W109-F147 HydrophobicContact CE3-CG 4.08Å; W109-F147 HydrophobicContact CE3-CZ 4.06Å; W109-F147 AromaticContact CZ3-CD1 3.91Å; W109-F147 HydrophobicContact CZ3-CD1 3.91Å; W109-F147 HydrophobicContact CZ3-CE1 4.35Å; W109-F147 HydrophobicContact CZ3-CG 4.23Å; W109-M189 HydrophobicContact CB-CG 4.48Å; W109-M189 HydrophobicContact CB-SD 3.89Å; W109-M189 HydrophobicContact CD2-CB 4.37Å; W109-M189 HydrophobicContact CD2-CG 3.61Å; W109-M189 HydrophobicContact CD2-SD 4.1Å; W109-M189 HydrophobicContact CE3-CG 4.12Å; W109-M189 HydrophobicContact CE3-SD 4.49Å; W109-M189 HydrophobicContact CG-CB 4.29Å; W109-M189 HydrophobicContact CG-CG 3.76Å; W109-M189 HydrophobicContact CG-SD 3.82Å; W109-M189 HydrophobicContact CZ2-CG 4.25Å; W109-I192 HydrophobicContact CH2-CB 4.4Å; W109-I192 HydrophobicContact CH2-CG2 3.83Å; W109-I192 HydrophobicContact CZ2-CB 3.99Å; W109-I192 HydrophobicContact CZ2-CD1 4.16Å; W109-I192 HydrophobicContact CZ2-CG2 3.7Å; W109-L193 HydrophobicContact CH2-CD2 3.91Å; W109-L193 HydrophobicContact CH2-CG 4.25Å; W109-L193 HydrophobicContact CZ3-CD2 3.71Å; W109-L193 HydrophobicContact CZ3-CG 4.31Å |
| 110 | N | 97.4 | Very high | 96.5 | Very high | 60 Ų | 60 | 42.9 Ų | 42.9 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.2 | -39.7 | 179.2 | -70.7 | -39.1 | 0 | 0 | 0 | 112.4 | N106 Q107 T114 | N106-N110 VanDerWaalsContact O-CG 3.25Å; N106-N110 PolarHBondContact O-N 3.48Å; N106-N110 PolarHBondContact O-ND2 3.28Å; Q107-N110 PolarHBondContact O-N 2.98Å; N110-T114 WeakPolarHBondContact O-CB 3.31Å; N110-T114 PolarHBondContact O-N 3.04Å; N110-T114 VanDerWaalsContact O-N 3.1Å; N110-T114 PolarHBondContact O-OG1 2.87Å |
| 111 | D | 96.7 | Very high | 96.7 | Very high | 47 Ų | 47 | 41.8 Ų | 41.8 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 176.4 | -67 | -29.8 | 0 | 0 | 0 | 111 | K47 Q107 W109 T114 A115 | K47-D111 WeakPolarHBondContact CE-OD1 3.33Å; K47-D111 WeakPolarHBondContact CE-OD2 3.49Å; K47-D111 IonicContact NZ-OD1 3.26Å; K47-D111 PolarHBondContact NZ-OD1 3.07Å; K47-D111 IonicContact NZ-OD2 2.79Å; K47-D111 PolarHBondContact NZ-OD2 3.33Å; Q107-D111 VanDerWaalsContact NE2-CG 3.33Å; Q107-D111 PolarHBondContact NE2-OD1 2.9Å; Q107-D111 PolarHBondContact NE2-OD2 2.89Å; Q107-D111 WeakPolarHBondContact O-CB 3.28Å; Q107-D111 PolarHBondContact O-N 2.87Å; W109-D111 VanDerWaalsContact C-N 3.3Å; W109-D111 PolarHBondContact O-N 3.26Å; D111-T114 PolarHBondContact O-N 2.83Å; D111-A115 WeakPolarHBondContact O-CB 3.28Å; D111-A115 PolarHBondContact O-N 3.41Å |
| 112 | H | 97.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 178 | -176.1 | 64 | 0 | 0 | 0 | 112.2 | A108 W109 T114 A115 M116 G143 F147 | A108-H112 VanDerWaalsContact O-CB 3.28Å; A108-H112 WeakPolarHBondContact O-CB 3.33Å; A108-H112 PolarHBondContact O-N 3.43Å; W109-H112 PolarHBondContact O-N 3.01Å; H112-T114 VanDerWaalsContact C-N 3.3Å; H112-T114 PolarHBondContact O-N 3.36Å; H112-A115 PolarHBondContact O-N 2.94Å; H112-M116 VanDerWaalsContact CE1-CG 3.47Å; H112-M116 WeakPolarHBondContact CE1-CG 3.37Å; H112-M116 WeakPolarHBondContact O-CB 3.3Å; H112-M116 VanDerWaalsContact O-CG 3.31Å; H112-M116 WeakPolarHBondContact O-CG 3.43Å; H112-M116 PolarHBondContact O-N 3.4Å; H112-G143 PolarHBondContact NE2-O 2.94Å; H112-F147 HydrophobicContact CB-CD2 3.91Å; H112-F147 HydrophobicContact CB-CE2 4.02Å; H112-F147 AromaticContact CD2-CD2 3.53Å; H112-F147 AromaticContact CD2-CG 3.82Å; H112-F147 AromaticContact CG-CD2 3.67Å |
| 113 | Q | 97.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 175.3 | -71.1 | -168.9 | -87.7 | 0 | 0 | 111.3 | W109 M116 V117 Y140 | W109-Q113 HydrophobicContact CD2-CG 3.98Å; W109-Q113 HydrophobicContact CE3-CG 4.18Å; W109-Q113 HydrophobicContact CH2-CG 3.94Å; W109-Q113 HydrophobicContact CZ2-CG 3.67Å; W109-Q113 HydrophobicContact CZ3-CG 4.16Å; W109-Q113 WeakPolarHBondContact O-CG 3.35Å; W109-Q113 PolarHBondContact O-N 3.47Å; Q113-M116 PolarHBondContact O-N 3.11Å; Q113-V117 WeakPolarHBondContact O-CG2 3.12Å; Q113-V117 PolarHBondContact O-N 3.46Å; Q113-Y140 PolarHBondContact NE2-OH 3.06Å; Q113-Y140 VanDerWaalsContact NE2-OH 3.09Å |
| 114 | T | 96.4 | Very high | 96.6 | Very high | 85 Ų | 85 | 36.7 Ų | 36.7 | 52% | 0.521 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.1 | -45.1 | -179.7 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | N110 D111 H112 M116 V117 M118 | N110-T114 WeakPolarHBondContact O-CB 3.31Å; N110-T114 PolarHBondContact O-N 3.04Å; N110-T114 VanDerWaalsContact O-N 3.1Å; N110-T114 PolarHBondContact O-OG1 2.87Å; D111-T114 PolarHBondContact O-N 2.83Å; H112-T114 VanDerWaalsContact C-N 3.3Å; H112-T114 PolarHBondContact O-N 3.36Å; T114-M116 PolarHBondContact O-N 2.88Å; T114-V117 PolarHBondContact O-N 3.12Å; T114-M118 HydrophobicContact CG2-CE 3.92Å; T114-M118 PolarHBondContact O-N 3.33Å |
| 115 | A | 96.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 7% | 0.066 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | I44 D111 H112 V117 M118 I119 | I44-A115 HydrophobicContact CG2-CB 3.99Å; D111-A115 WeakPolarHBondContact O-CB 3.28Å; D111-A115 PolarHBondContact O-N 3.41Å; H112-A115 PolarHBondContact O-N 2.94Å; A115-V117 VanDerWaalsContact C-N 3.34Å; A115-V117 PolarHBondContact O-N 3.24Å; A115-M118 WeakPolarHBondContact O-CB 3.32Å; A115-M118 PolarHBondContact O-N 2.93Å; A115-I119 WeakPolarHBondContact O-CD1 3.16Å; A115-I119 VanDerWaalsContact O-CG1 3.26Å; A115-I119 WeakPolarHBondContact O-CG1 3.15Å; A115-I119 PolarHBondContact O-N 3.23Å |
| 116 | M | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.5 | -31.4 | -178.2 | -72.1 | -53.7 | -48.4 | 0 | 0 | 113.3 | V81 H112 Q113 T114 I119 R120 V139 Y140 | V81-M116 HydrophobicContact CG1-SD 4.32Å; V81-M116 HydrophobicContact CG2-SD 4.18Å; H112-M116 VanDerWaalsContact CE1-CG 3.47Å; H112-M116 WeakPolarHBondContact CE1-CG 3.37Å; H112-M116 WeakPolarHBondContact O-CB 3.3Å; H112-M116 VanDerWaalsContact O-CG 3.31Å; H112-M116 WeakPolarHBondContact O-CG 3.43Å; H112-M116 PolarHBondContact O-N 3.4Å; Q113-M116 PolarHBondContact O-N 3.11Å; T114-M116 PolarHBondContact O-N 2.88Å; M116-I119 HydrophobicContact SD-CD1 3.93Å; M116-R120 VanDerWaalsContact O-CB 3.25Å; M116-R120 WeakPolarHBondContact O-CB 3.42Å; M116-R120 PolarHBondContact O-N 3.38Å; M116-V139 HydrophobicContact CE-CG1 3.77Å; M116-V139 WeakPolarHBondContact CE-O 3.43Å; M116-Y140 HydrophobicContact CB-CD2 3.88Å; M116-Y140 HydrophobicContact CB-CE2 4.19Å |
| 117 | V | 96.7 | Very high | 96.2 | Very high | 52 Ų | 52 | 36.4 Ų | 36.4 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.4 | -47.6 | 170.8 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | Q113 T114 A115 I119 R120 D121 Y140 | Q113-V117 WeakPolarHBondContact O-CG2 3.12Å; Q113-V117 PolarHBondContact O-N 3.46Å; T114-V117 PolarHBondContact O-N 3.12Å; A115-V117 VanDerWaalsContact C-N 3.34Å; A115-V117 PolarHBondContact O-N 3.24Å; V117-I119 PolarHBondContact O-N 3.45Å; V117-R120 WeakPolarHBondContact O-CB 3.34Å; V117-R120 PolarHBondContact O-N 2.93Å; V117-D121 VanDerWaalsContact O-CG 3.24Å; V117-D121 PolarHBondContact O-N 3.21Å; V117-Y140 HydrophobicContact CG2-CD2 4.2Å; V117-Y140 HydrophobicContact CG2-CE2 3.86Å |
| 118 | M | 96 | Very high | 96 | Very high | 35 Ų | 35 | 39.1 Ų | 39.1 | 17% | 0.172 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 178.3 | -70 | -173.2 | -87.6 | 0 | 0 | 112.4 | I44 N49 F54 T114 A115 D121 I122 | I44-M118 HydrophobicContact CD1-CB 4.36Å; I44-M118 HydrophobicContact CG2-CB 3.98Å; I44-M118 HydrophobicContact CG2-CE 3.78Å; I44-M118 HydrophobicContact CG2-SD 4.23Å; N49-M118 VanDerWaalsContact ND2-CE 3.34Å; N49-M118 WeakPolarHBondContact ND2-CE 3.38Å; N49-M118 PolarHBondContact ND2-SD 3.02Å; F54-M118 HydrophobicContact CE1-CB 4.07Å; F54-M118 HydrophobicContact CE1-CG 4.39Å; F54-M118 HydrophobicContact CZ-CB 4.36Å; F54-M118 HydrophobicContact CZ-CG 4.4Å; F54-M118 HydrophobicContact CZ-SD 4.16Å; T114-M118 HydrophobicContact CG2-CE 3.92Å; T114-M118 PolarHBondContact O-N 3.33Å; A115-M118 WeakPolarHBondContact O-CB 3.32Å; A115-M118 PolarHBondContact O-N 2.93Å; M118-D121 PolarHBondContact O-N 3.46Å; M118-I122 PolarHBondContact O-N 3.12Å; M118-I122 VanDerWaalsContact O-N 3.15Å |
| 119 | I | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.9 | -42.5 | 178.1 | -66.4 | 162.2 | 0 | 0 | 0 | 110.6 | I41 I44 Q45 L77 A115 M116 V117 D121 I122 L123 V139 | I41-I119 HydrophobicContact CG1-CG1 4.4Å; I41-I119 HydrophobicContact CG1-CG2 4.39Å; I41-I119 HydrophobicContact CG2-CD1 3.86Å; I41-I119 HydrophobicContact CG2-CG1 4.3Å; I44-I119 HydrophobicContact CD1-CG1 4.36Å; I44-I119 HydrophobicContact CG2-CD1 4.44Å; I44-I119 HydrophobicContact CG2-CG1 4.12Å; Q45-I119 HydrophobicContact CG-CD1 4.41Å; L77-I119 HydrophobicContact CD1-CG2 3.56Å; A115-I119 WeakPolarHBondContact O-CD1 3.16Å; A115-I119 VanDerWaalsContact O-CG1 3.26Å; A115-I119 WeakPolarHBondContact O-CG1 3.15Å; A115-I119 PolarHBondContact O-N 3.23Å; M116-I119 HydrophobicContact SD-CD1 3.93Å; V117-I119 PolarHBondContact O-N 3.45Å; I119-D121 VanDerWaalsContact C-N 3.29Å; I119-D121 PolarHBondContact O-N 2.86Å; I119-I122 PolarHBondContact O-N 3.42Å; I119-L123 HydrophobicContact CG2-CD1 3.8Å; I119-L123 HydrophobicContact CG2-CG 4.43Å; I119-L123 WeakPolarHBondContact O-CB 3.44Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 3.05Å; I119-V139 HydrophobicContact CG2-CG1 4.02Å |
| 120 | R | 96.1 | Very high | 95.7 | Very high | 91 Ų | 91 | 41.2 Ų | 41.2 | 34% | 0.343 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.7 | -42.9 | 173.9 | -178.3 | -151.6 | 64.6 | -165.5 | -2.7 | 111.4 | M116 V117 I122 L123 M124 D127 V139 | M116-R120 VanDerWaalsContact O-CB 3.25Å; M116-R120 WeakPolarHBondContact O-CB 3.42Å; M116-R120 PolarHBondContact O-N 3.38Å; V117-R120 WeakPolarHBondContact O-CB 3.34Å; V117-R120 PolarHBondContact O-N 2.93Å; R120-I122 PolarHBondContact O-N 3.47Å; R120-L123 CarbonylContact O-C 3.6Å; R120-L123 VanDerWaalsContact O-C 3.29Å; R120-L123 PolarHBondContact O-N 3.29Å; R120-L123 VanDerWaalsContact O-N 3.14Å; R120-M124 WeakPolarHBondContact O-CA 3.3Å; R120-M124 PolarHBondContact O-N 3.37Å; R120-D127 WeakPolarHBondContact CG-OD2 3.23Å; R120-V139 HydrophobicContact CB-CB 4.33Å; R120-V139 HydrophobicContact CB-CG1 3.98Å; R120-V139 HydrophobicContact CG-CB 4.43Å |
| 121 | D | 94.9 | Very high | 95.5 | Very high | 70 Ų | 70 | 38.8 Ų | 38.8 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.7 | -39.8 | -178.4 | -67.6 | -14.1 | 0 | 0 | 0 | 112 | V117 M118 I119 L123 M124 | V117-D121 VanDerWaalsContact O-CG 3.24Å; V117-D121 PolarHBondContact O-N 3.21Å; M118-D121 PolarHBondContact O-N 3.46Å; I119-D121 VanDerWaalsContact C-N 3.29Å; I119-D121 PolarHBondContact O-N 2.86Å; D121-L123 VanDerWaalsContact C-N 3.31Å; D121-L123 PolarHBondContact O-N 2.97Å; D121-M124 WeakPolarHBondContact O-CB 3.16Å |
| 122 | I | 95.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 171.9 | -68.5 | 165.3 | 0 | 0 | 0 | 111 | L37 I44 F54 L57 Y58 M118 I119 R120 | L37-I122 HydrophobicContact CD2-CG2 4.26Å; I44-I122 HydrophobicContact CD1-CD1 3.37Å; F54-I122 HydrophobicContact CD1-CD1 3.86Å; F54-I122 HydrophobicContact CD1-CG1 3.55Å; F54-I122 HydrophobicContact CE1-CD1 3.78Å; F54-I122 HydrophobicContact CE1-CG1 3.91Å; F54-I122 HydrophobicContact CG-CG1 4.42Å; L57-I122 HydrophobicContact CB-CD1 4.45Å; L57-I122 HydrophobicContact CB-CG1 4.3Å; L57-I122 HydrophobicContact CB-CG2 3.7Å; L57-I122 HydrophobicContact CD1-CD1 3.88Å; Y58-I122 WeakPolarHBondContact CA-O 3.36Å; Y58-I122 WeakPolarHBondContact CD2-O 3.25Å; M118-I122 PolarHBondContact O-N 3.12Å; M118-I122 VanDerWaalsContact O-N 3.15Å; I119-I122 PolarHBondContact O-N 3.42Å; R120-I122 PolarHBondContact O-N 3.47Å |
| 123 | L | 96 | Very high | 95 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 17.3 | -174.6 | -58.3 | -179.8 | 0 | 0 | 0 | 113.5 | A61 L73 L77 I119 R120 D121 Y125 M126 D127 V139 | A61-L123 HydrophobicContact CB-CD2 3.68Å; L73-L123 HydrophobicContact CD1-CD2 4.13Å; L73-L123 HydrophobicContact CD2-CD2 4.09Å; L73-L123 HydrophobicContact CG-CD2 4.31Å; L77-L123 HydrophobicContact CB-CD1 4.47Å; L77-L123 HydrophobicContact CD1-CD1 3.99Å; L77-L123 HydrophobicContact CD2-CD1 3.72Å; L77-L123 HydrophobicContact CG-CD1 4.26Å; I119-L123 HydrophobicContact CG2-CD1 3.8Å; I119-L123 HydrophobicContact CG2-CG 4.43Å; I119-L123 WeakPolarHBondContact O-CB 3.44Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 3.05Å; R120-L123 CarbonylContact O-C 3.6Å; R120-L123 VanDerWaalsContact O-C 3.29Å; R120-L123 PolarHBondContact O-N 3.29Å; R120-L123 VanDerWaalsContact O-N 3.14Å; D121-L123 VanDerWaalsContact C-N 3.31Å; D121-L123 PolarHBondContact O-N 2.97Å; L123-Y125 PolarHBondContact O-N 3.24Å; L123-Y125 VanDerWaalsContact O-N 3.08Å; L123-M126 HydrophobicContact CB-CB 4.48Å; L123-M126 HydrophobicContact CB-CE 4.18Å; L123-M126 HydrophobicContact CD1-CE 3.97Å; L123-M126 WeakPolarHBondContact O-CA 3.4Å; L123-M126 VanDerWaalsContact O-CB 3.29Å; L123-M126 WeakPolarHBondContact O-CB 3.3Å; L123-M126 PolarHBondContact O-N 2.9Å; L123-D127 PolarHBondContact O-N 3.42Å; L123-D127 VanDerWaalsContact O-N 3.16Å; L123-V139 HydrophobicContact CB-CG2 4.15Å; L123-V139 HydrophobicContact CD1-CG2 4.36Å |
| 124 | M | 94.6 | Very high | 94.8 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.9 | -33.6 | -171.3 | 174.3 | 179.8 | 58.5 | 0 | 0 | 113.2 | Y58 R120 D121 D127 R128 | Y58-M124 HydrophobicContact CD2-CE 4.42Å; Y58-M124 HydrophobicContact CE2-CB 4.06Å; Y58-M124 HydrophobicContact CE2-CE 3.68Å; R120-M124 WeakPolarHBondContact O-CA 3.3Å; R120-M124 PolarHBondContact O-N 3.37Å; D121-M124 WeakPolarHBondContact O-CB 3.16Å; M124-D127 PolarHBondContact O-N 3.34Å; M124-R128 WeakPolarHBondContact O-CG 3.48Å; M124-R128 PolarHBondContact O-N 3.39Å; M124-R128 VanDerWaalsContact O-N 3.11Å; M124-R128 PolarHBondContact SD-NH2 3.33Å |
| 125 | Y | 94.6 | Very high | 94.6 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.7 | -34.5 | 177 | -168.6 | -105.2 | 0 | 0 | 0 | 112.7 | Y62 V65 L123 D127 R128 V129 | Y62-Y125 AromaticContact CD2-CD1 3.55Å; Y62-Y125 HydrophobicContact CD2-CD1 3.55Å; Y62-Y125 AromaticContact CD2-CD2 3.66Å; Y62-Y125 HydrophobicContact CD2-CD2 3.66Å; Y62-Y125 AromaticContact CD2-CE1 3.72Å; Y62-Y125 HydrophobicContact CD2-CE1 3.72Å; Y62-Y125 AromaticContact CD2-CE2 3.84Å; Y62-Y125 HydrophobicContact CD2-CE2 3.84Å; Y62-Y125 AromaticContact CD2-CG 3.51Å; Y62-Y125 HydrophobicContact CD2-CG 3.51Å; Y62-Y125 AromaticContact CD2-CZ 3.87Å; Y62-Y125 HydrophobicContact CE2-CD1 4.09Å; Y62-Y125 AromaticContact CE2-CD2 3.88Å; Y62-Y125 HydrophobicContact CE2-CD2 3.88Å; Y62-Y125 AromaticContact CE2-CE1 3.79Å; Y62-Y125 HydrophobicContact CE2-CE1 3.79Å; Y62-Y125 AromaticContact CE2-CE2 3.56Å; Y62-Y125 HydrophobicContact CE2-CE2 3.56Å; Y62-Y125 HydrophobicContact CE2-CG 4.13Å; Y62-Y125 AromaticContact CE2-CZ 3.51Å; Y62-Y125 HydrophobicContact CG-CD1 4.31Å; Y62-Y125 HydrophobicContact CG-CG 4.48Å; V65-Y125 HydrophobicContact CB-CD1 3.84Å; V65-Y125 HydrophobicContact CB-CE1 4.1Å; V65-Y125 HydrophobicContact CG1-CD1 3.78Å; V65-Y125 HydrophobicContact CG1-CE1 3.78Å; V65-Y125 HydrophobicContact CG2-CD1 4.49Å; L123-Y125 PolarHBondContact O-N 3.24Å; L123-Y125 VanDerWaalsContact O-N 3.08Å; Y125-D127 VanDerWaalsContact C-N 3.35Å; Y125-R128 PolarHBondContact O-N 2.87Å; Y125-V129 HydrophobicContact CD1-CG2 4.33Å; Y125-V129 HydrophobicContact CD2-CG2 4.13Å; Y125-V129 HydrophobicContact CE1-CB 4.43Å; Y125-V129 HydrophobicContact CE1-CG2 3.95Å; Y125-V129 HydrophobicContact CE2-CG2 3.71Å; Y125-V129 HydrophobicContact CG-CG2 4.42Å; Y125-V129 WeakPolarHBondContact O-CB 3.46Å; Y125-V129 PolarHBondContact O-N 3.31Å |
| 126 | M | 95 | Very high | 94.5 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 173.2 | -172.9 | -177.2 | 69.5 | 0 | 0 | 110.6 | V65 L73 Y74 L77 L123 R128 V129 Y130 V131 V139 | V65-M126 HydrophobicContact CG2-CB 3.84Å; V65-M126 HydrophobicContact CG2-CG 4.12Å; L73-M126 HydrophobicContact CB-SD 3.95Å; L73-M126 HydrophobicContact CD2-CB 4.32Å; L73-M126 HydrophobicContact CD2-CG 4.37Å; L73-M126 HydrophobicContact CD2-SD 3.74Å; L73-M126 HydrophobicContact CG-SD 3.59Å; L73-M126 VanDerWaalsContact CG-SD 3.59Å; Y74-M126 HydrophobicContact CD2-CE 3.9Å; Y74-M126 HydrophobicContact CD2-SD 4.29Å; L77-M126 HydrophobicContact CD2-CE 4.02Å; L123-M126 HydrophobicContact CB-CB 4.48Å; L123-M126 HydrophobicContact CB-CE 4.18Å; L123-M126 HydrophobicContact CD1-CE 3.97Å; L123-M126 WeakPolarHBondContact O-CA 3.4Å; L123-M126 VanDerWaalsContact O-CB 3.29Å; L123-M126 WeakPolarHBondContact O-CB 3.3Å; L123-M126 PolarHBondContact O-N 2.9Å; M126-R128 VanDerWaalsContact C-N 3.34Å; M126-R128 PolarHBondContact O-N 3.19Å; M126-V129 PolarHBondContact O-N 2.89Å; M126-Y130 HydrophobicContact CG-CD1 4.19Å; M126-Y130 HydrophobicContact CG-CG 4.33Å; M126-Y130 WeakPolarHBondContact O-CA 3.36Å; M126-Y130 WeakPolarHBondContact O-CB 3.44Å; M126-Y130 PolarHBondContact O-N 3.5Å; M126-V131 PolarHBondContact O-N 3.42Å; M126-V139 HydrophobicContact CE-CG2 3.37Å |
| 127 | D | 93.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -60.5 | -41.3 | 175.9 | -102.4 | -8.3 | 0 | 0 | 0 | 112.6 | R120 L123 M124 Y125 V131 N138 V139 | R120-D127 WeakPolarHBondContact CG-OD2 3.23Å; L123-D127 PolarHBondContact O-N 3.42Å; L123-D127 VanDerWaalsContact O-N 3.16Å; M124-D127 PolarHBondContact O-N 3.34Å; Y125-D127 VanDerWaalsContact C-N 3.35Å; D127-V131 WeakPolarHBondContact O-CB 3.4Å; D127-N138 VanDerWaalsContact OD1-CA 3.3Å; D127-N138 WeakPolarHBondContact OD1-CA 3.46Å; D127-N138 WeakPolarHBondContact OD1-CB 3.45Å; D127-V139 WeakPolarHBondContact OD1-CG2 3.4Å; D127-V139 PolarHBondContact OD1-N 3.49Å |
| 128 | R | 93.2 | Very high | 94.3 | Very high | 153 Ų | 153 | 60.9 Ų | 60.9 | 58% | 0.577 | 29% | 0.291 | S | S | * | . | I | π-helix | trans | -74.7 | -30.8 | -178.7 | -72.2 | 179.2 | -176.3 | -175.5 | 2.7 | 113.7 | M124 Y125 M126 Q132 | M124-R128 WeakPolarHBondContact O-CG 3.48Å; M124-R128 PolarHBondContact O-N 3.39Å; M124-R128 VanDerWaalsContact O-N 3.11Å; M124-R128 PolarHBondContact SD-NH2 3.33Å; Y125-R128 PolarHBondContact O-N 2.87Å; M126-R128 VanDerWaalsContact C-N 3.34Å; M126-R128 PolarHBondContact O-N 3.19Å; R128-Q132 VanDerWaalsContact O-CD 3.32Å; R128-Q132 PolarHBondContact O-OE1 3.09Å; R128-Q132 VanDerWaalsContact O-OE1 3.1Å |
| 129 | V | 93.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -112 | -63.2 | -170.5 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | V65 Y125 M126 Q133 | V65-V129 HydrophobicContact CG1-CB 4.32Å; V65-V129 HydrophobicContact CG1-CG1 4.43Å; Y125-V129 HydrophobicContact CD1-CG2 4.33Å; Y125-V129 HydrophobicContact CD2-CG2 4.13Å; Y125-V129 HydrophobicContact CE1-CB 4.43Å; Y125-V129 HydrophobicContact CE1-CG2 3.95Å; Y125-V129 HydrophobicContact CE2-CG2 3.71Å; Y125-V129 HydrophobicContact CG-CG2 4.42Å; Y125-V129 WeakPolarHBondContact O-CB 3.46Å; Y125-V129 PolarHBondContact O-N 3.31Å; M126-V129 PolarHBondContact O-N 2.89Å; V129-Q133 VanDerWaalsContact O-CB 3.26Å; V129-Q133 WeakPolarHBondContact O-CB 3.35Å; V129-Q133 WeakPolarHBondContact O-CG 3.47Å; V129-Q133 PolarHBondContact O-N 3.21Å |
| 130 | Y | 93.9 | Very high | 94.3 | Very high | 31 Ų | 31 | 61.5 Ų | 61.5 | 12% | 0.122 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -67.9 | -47.7 | -173.4 | 176.3 | -93.6 | 0 | 0 | 0 | 111.7 | G70 E71 Y74 M126 Q132 Q133 N134 V136 | G70-Y130 VanDerWaalsContact C-CE2 3.45Å; E71-Y130 VanDerWaalsContact CA-CZ 3.45Å; E71-Y130 VanDerWaalsContact CA-OH 3.25Å; E71-Y130 WeakPolarHBondContact CA-OH 3.44Å; E71-Y130 HydrophobicContact CB-CE2 3.98Å; E71-Y130 WeakPolarHBondContact CB-OH 3.42Å; Y74-Y130 HydrophobicContact CD1-CE1 4.47Å; Y74-Y130 HydrophobicContact CD2-CD1 4.32Å; Y74-Y130 HydrophobicContact CD2-CE1 4.18Å; Y74-Y130 HydrophobicContact CG-CD1 4.37Å; Y74-Y130 AromaticContact CG-CE1 3.85Å; Y74-Y130 HydrophobicContact CG-CE1 3.85Å; M126-Y130 HydrophobicContact CG-CD1 4.19Å; M126-Y130 HydrophobicContact CG-CG 4.33Å; M126-Y130 WeakPolarHBondContact O-CA 3.36Å; M126-Y130 WeakPolarHBondContact O-CB 3.44Å; M126-Y130 PolarHBondContact O-N 3.5Å; Y130-Q132 PolarHBondContact O-N 3.34Å; Y130-Q133 PolarHBondContact O-N 3.19Å; Y130-N134 WeakPolarHBondContact CD2-ND2 3.37Å; Y130-N134 WeakPolarHBondContact CE2-ND2 3.41Å; Y130-N134 WeakPolarHBondContact O-CB 3.31Å; Y130-N134 PolarHBondContact O-N 3.3Å; Y130-N134 PolarHBondContact O-ND2 3.49Å; Y130-V136 HydrophobicContact CE1-CG2 4.22Å |
| 131 | V | 93.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -61.4 | -47 | -177.4 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | Y74 M126 D127 N134 N135 V136 N138 | Y74-V131 HydrophobicContact CD2-CG2 4.14Å; Y74-V131 HydrophobicContact CE2-CG2 3.99Å; M126-V131 PolarHBondContact O-N 3.42Å; D127-V131 WeakPolarHBondContact O-CB 3.4Å; V131-N134 PolarHBondContact O-N 3.11Å; V131-N135 PolarHBondContact O-N 3.44Å; V131-V136 HydrophobicContact CB-CG2 4.19Å; V131-V136 HydrophobicContact CG1-CG2 4.2Å; V131-V136 WeakPolarHBondContact CG1-O 3.49Å; V131-V136 HydrophobicContact CG2-CG2 4.1Å; V131-V136 PolarHBondContact O-N 3.01Å; V131-N138 HydrophobicContact CG1-CB 4.25Å |
| 132 | Q | 90.5 | Very high | 94.4 | Very high | 152 Ų | 152 | 55.5 Ų | 55.5 | 71% | 0.71 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.8 | -42.4 | 176.9 | -68 | -171.1 | -8.3 | 0 | 0 | 112.9 | R128 Y130 N134 | R128-Q132 VanDerWaalsContact O-CD 3.32Å; R128-Q132 PolarHBondContact O-OE1 3.09Å; R128-Q132 VanDerWaalsContact O-OE1 3.1Å; Y130-Q132 PolarHBondContact O-N 3.34Å; Q132-N134 VanDerWaalsContact C-N 3.31Å; Q132-N134 PolarHBondContact O-N 3.03Å |
| 133 | Q | 93 | Very high | 94.5 | Very high | 133 Ų | 133 | 55.3 Ų | 55.3 | 62% | 0.621 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -68 | -30.6 | -178.8 | -76.3 | 174 | 2.2 | 0 | 0 | 113.3 | V129 Y130 | V129-Q133 VanDerWaalsContact O-CB 3.26Å; V129-Q133 WeakPolarHBondContact O-CB 3.35Å; V129-Q133 WeakPolarHBondContact O-CG 3.47Å; V129-Q133 PolarHBondContact O-N 3.21Å; Y130-Q133 PolarHBondContact O-N 3.19Å |
| 134 | N | 93.9 | Very high | 94.5 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -103.6 | 1.3 | -176.4 | -64.6 | -83.9 | 0 | 0 | 0 | 113.3 | Y130 V131 Q132 V136 | Y130-N134 WeakPolarHBondContact CD2-ND2 3.37Å; Y130-N134 WeakPolarHBondContact CE2-ND2 3.41Å; Y130-N134 WeakPolarHBondContact O-CB 3.31Å; Y130-N134 PolarHBondContact O-N 3.3Å; Y130-N134 PolarHBondContact O-ND2 3.49Å; V131-N134 PolarHBondContact O-N 3.11Å; Q132-N134 VanDerWaalsContact C-N 3.31Å; Q132-N134 PolarHBondContact O-N 3.03Å; N134-V136 VanDerWaalsContact C-N 3.25Å; N134-V136 HydrophobicContact CB-CG1 4.33Å; N134-V136 PolarHBondContact O-N 3.39Å |
| 135 | N | 91.8 | Very high | 94.6 | Very high | 152 Ų | 152 | 53.8 Ų | 53.8 | 81% | 0.813 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 45 | -179.1 | -164.7 | 52.8 | 0 | 0 | 0 | 112.8 | V131 | V131-N135 PolarHBondContact O-N 3.44Š|
| 136 | V | 94.4 | Very high | 94.8 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -103.3 | 170.2 | 173.9 | -63.9 | 0 | 0 | 0 | 0 | 110.1 | Y74 Y130 V131 N134 | Y74-V136 HydrophobicContact CD2-CG2 4.29Å; Y74-V136 HydrophobicContact CE1-CB 4.32Å; Y74-V136 HydrophobicContact CE1-CG2 4.24Å; Y74-V136 HydrophobicContact CE2-CB 4.5Å; Y74-V136 HydrophobicContact CE2-CG2 3.81Å; Y130-V136 HydrophobicContact CE1-CG2 4.22Å; V131-V136 HydrophobicContact CB-CG2 4.19Å; V131-V136 HydrophobicContact CG1-CG2 4.2Å; V131-V136 WeakPolarHBondContact CG1-O 3.49Å; V131-V136 HydrophobicContact CG2-CG2 4.1Å; V131-V136 PolarHBondContact O-N 3.01Å; N134-V136 VanDerWaalsContact C-N 3.25Å; N134-V136 HydrophobicContact CB-CG1 4.33Å; N134-V136 PolarHBondContact O-N 3.39Å |
| 137 | E | 94.4 | Very high | 95 | Very high | 78 Ų | 78 | 51.5 Ų | 51.5 | 36% | 0.364 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -68 | 140.5 | 178.4 | -68 | -66.1 | 163.6 | 0 | 0 | 111.7 | Y74 N141 I145 | Y74-E137 WeakPolarHBondContact CE2-O 3.26Å; Y74-E137 PolarHBondContact OH-N 3.3Å; Y74-E137 PolarHBondContact OH-O 2.98Å; E137-N141 HydrophobicContact CB-CB 4.31Å; E137-N141 WeakPolarHBondContact OE2-CB 3.27Å; E137-N141 PolarHBondContact OE2-ND2 3.45Å; E137-I145 HydrophobicContact CB-CD1 4.29Å; E137-I145 HydrophobicContact CG-CD1 3.63Å |
| 138 | N | 95.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 159.6 | 173.2 | 71.1 | 61.9 | 0 | 0 | 0 | 111.3 | D127 V131 Y140 N141 L142 | D127-N138 VanDerWaalsContact OD1-CA 3.3Å; D127-N138 WeakPolarHBondContact OD1-CA 3.46Å; D127-N138 WeakPolarHBondContact OD1-CB 3.45Å; V131-N138 HydrophobicContact CG1-CB 4.25Å; N138-Y140 VanDerWaalsContact C-N 3.27Å; N138-Y140 PolarHBondContact O-N 3.4Å; N138-Y140 PolarHBondContact OD1-N 3.36Å; N138-Y140 VanDerWaalsContact OD1-N 3.15Å; N138-N141 VanDerWaalsContact ND2-CG 3.28Å; N138-N141 PolarHBondContact ND2-ND2 3.19Å; N138-N141 VanDerWaalsContact ND2-ND2 3.15Å; N138-N141 PolarHBondContact O-N 3.42Å; N138-N141 WeakPolarHBondContact OD1-CB 3.42Å; N138-N141 PolarHBondContact OD1-N 3.06Å; N138-L142 WeakPolarHBondContact O-CB 3.39Å; N138-L142 PolarHBondContact O-N 2.97Å |
| 139 | V | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.5 | -44 | -173.8 | 166.9 | 0 | 0 | 0 | 0 | 111.9 | L77 M116 I119 R120 L123 M126 D127 L142 G143 | L77-V139 HydrophobicContact CD2-CB 4.33Å; L77-V139 HydrophobicContact CD2-CG1 3.89Å; L77-V139 HydrophobicContact CD2-CG2 3.82Å; M116-V139 HydrophobicContact CE-CG1 3.77Å; M116-V139 WeakPolarHBondContact CE-O 3.43Å; I119-V139 HydrophobicContact CG2-CG1 4.02Å; R120-V139 HydrophobicContact CB-CB 4.33Å; R120-V139 HydrophobicContact CB-CG1 3.98Å; R120-V139 HydrophobicContact CG-CB 4.43Å; L123-V139 HydrophobicContact CB-CG2 4.15Å; L123-V139 HydrophobicContact CD1-CG2 4.36Å; M126-V139 HydrophobicContact CE-CG2 3.37Å; D127-V139 WeakPolarHBondContact OD1-CG2 3.4Å; D127-V139 PolarHBondContact OD1-N 3.49Å; V139-L142 PolarHBondContact O-N 2.85Å; V139-G143 PolarHBondContact O-N 3.4Å; V139-G143 VanDerWaalsContact O-N 3.09Å |
| 140 | Y | 96.5 | Very high | 95.5 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -50.2 | -179.3 | -173.8 | -100.3 | 0 | 0 | 0 | 111.4 | Q113 M116 V117 N138 L142 G143 L144 | Q113-Y140 PolarHBondContact NE2-OH 3.06Å; Q113-Y140 VanDerWaalsContact NE2-OH 3.09Å; M116-Y140 HydrophobicContact CB-CD2 3.88Å; M116-Y140 HydrophobicContact CB-CE2 4.19Å; V117-Y140 HydrophobicContact CG2-CD2 4.2Å; V117-Y140 HydrophobicContact CG2-CE2 3.86Å; N138-Y140 VanDerWaalsContact C-N 3.27Å; N138-Y140 PolarHBondContact O-N 3.4Å; N138-Y140 PolarHBondContact OD1-N 3.36Å; N138-Y140 VanDerWaalsContact OD1-N 3.15Å; Y140-L142 VanDerWaalsContact C-N 3.33Å; Y140-L142 PolarHBondContact O-N 3.15Å; Y140-G143 WeakPolarHBondContact O-CA 3.34Å; Y140-G143 PolarHBondContact O-N 3.5Å; Y140-L144 HydrophobicContact CD1-CD1 4.13Å; Y140-L144 HydrophobicContact CD1-CG 4.27Å; Y140-L144 HydrophobicContact CE1-CD1 3.72Å; Y140-L144 HydrophobicContact CE1-CD2 4.12Å; Y140-L144 HydrophobicContact CE1-CG 4.07Å; Y140-L144 WeakPolarHBondContact O-CG 3.48Å; Y140-L144 PolarHBondContact O-N 2.93Å |
| 141 | N | 95.9 | Very high | 95.7 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 18% | 0.176 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -41 | 176.8 | -74.9 | 7.8 | 0 | 0 | 0 | 112.3 | E137 N138 G143 L144 I145 L195 | E137-N141 HydrophobicContact CB-CB 4.31Å; E137-N141 WeakPolarHBondContact OE2-CB 3.27Å; E137-N141 PolarHBondContact OE2-ND2 3.45Å; N138-N141 VanDerWaalsContact ND2-CG 3.28Å; N138-N141 PolarHBondContact ND2-ND2 3.19Å; N138-N141 VanDerWaalsContact ND2-ND2 3.15Å; N138-N141 PolarHBondContact O-N 3.42Å; N138-N141 WeakPolarHBondContact OD1-CB 3.42Å; N138-N141 PolarHBondContact OD1-N 3.06Å; N141-G143 VanDerWaalsContact C-N 3.28Å; N141-G143 PolarHBondContact O-N 3.13Å; N141-L144 WeakPolarHBondContact O-CB 3.5Å; N141-L144 PolarHBondContact O-N 3.26Å; N141-L144 VanDerWaalsContact O-N 3.09Å; N141-I145 WeakPolarHBondContact O-CG1 3.44Å; N141-I145 PolarHBondContact O-N 3.16Å; N141-L195 HydrophobicContact CB-CD2 4.07Å |
| 142 | L | 96.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.6 | -46.1 | 174 | 174.3 | 64.2 | 0 | 0 | 0 | 110.5 | Y74 L77 R78 N138 V139 Y140 L144 I145 I146 | Y74-L142 HydrophobicContact CE1-CD2 4.19Å; Y74-L142 HydrophobicContact CE2-CD2 4.01Å; L77-L142 HydrophobicContact CD2-CD2 4.08Å; L77-L142 HydrophobicContact CG-CD2 4.44Å; R78-L142 HydrophobicContact CB-CD2 4.18Å; R78-L142 HydrophobicContact CG-CD1 4.36Å; N138-L142 WeakPolarHBondContact O-CB 3.39Å; N138-L142 PolarHBondContact O-N 2.97Å; V139-L142 PolarHBondContact O-N 2.85Å; Y140-L142 VanDerWaalsContact C-N 3.33Å; Y140-L142 PolarHBondContact O-N 3.15Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 PolarHBondContact O-N 2.87Å; L142-I145 PolarHBondContact O-N 3.44Å; L142-I146 HydrophobicContact CD1-CD1 3.94Å; L142-I146 HydrophobicContact CD1-CG1 4.17Å; L142-I146 HydrophobicContact CG-CD1 3.88Å; L142-I146 VanDerWaalsContact O-CG1 3.23Å; L142-I146 WeakPolarHBondContact O-CG1 3.39Å; L142-I146 PolarHBondContact O-N 2.91Å |
| 143 | G | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H112 V139 Y140 N141 I146 F147 | H112-G143 PolarHBondContact NE2-O 2.94Å; V139-G143 PolarHBondContact O-N 3.4Å; V139-G143 VanDerWaalsContact O-N 3.09Å; Y140-G143 WeakPolarHBondContact O-CA 3.34Å; Y140-G143 PolarHBondContact O-N 3.5Å; N141-G143 VanDerWaalsContact C-N 3.28Å; N141-G143 PolarHBondContact O-N 3.13Å; G143-I146 PolarHBondContact O-N 3.29Å; G143-F147 PolarHBondContact O-N 3.46Å |
| 144 | L | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 177 | -56.9 | -167 | 0 | 0 | 0 | 112 | W109 Y140 N141 L142 I146 F147 R148 I192 L193 L195 | W109-L144 HydrophobicContact CH2-CD2 3.53Å; W109-L144 HydrophobicContact CZ3-CD2 3.8Å; Y140-L144 HydrophobicContact CD1-CD1 4.13Å; Y140-L144 HydrophobicContact CD1-CG 4.27Å; Y140-L144 HydrophobicContact CE1-CD1 3.72Å; Y140-L144 HydrophobicContact CE1-CD2 4.12Å; Y140-L144 HydrophobicContact CE1-CG 4.07Å; Y140-L144 WeakPolarHBondContact O-CG 3.48Å; Y140-L144 PolarHBondContact O-N 2.93Å; N141-L144 WeakPolarHBondContact O-CB 3.5Å; N141-L144 PolarHBondContact O-N 3.26Å; N141-L144 VanDerWaalsContact O-N 3.09Å; L142-L144 VanDerWaalsContact C-N 3.3Å; L142-L144 PolarHBondContact O-N 2.87Å; L144-I146 PolarHBondContact O-N 3.4Å; L144-F147 PolarHBondContact O-N 2.79Å; L144-R148 WeakPolarHBondContact O-CB 3.48Å; L144-R148 PolarHBondContact O-N 3.45Å; L144-I192 HydrophobicContact CD1-CG2 3.75Å; L144-L193 HydrophobicContact CB-CD2 4.29Å; L144-L193 VanDerWaalsContact O-CD2 3.3Å; L144-L193 WeakPolarHBondContact O-CD2 3.48Å; L144-L195 HydrophobicContact CB-CD2 3.96Å; L144-L195 HydrophobicContact CD1-CD2 3.8Å; L144-L195 HydrophobicContact CG-CD2 4.41Å |
| 145 | I | 97 | Very high | 96 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 14% | 0.144 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 177 | -72.1 | 166.3 | 0 | 0 | 0 | 110.8 | E137 N141 L142 R148 D149 L195 | E137-I145 HydrophobicContact CB-CD1 4.29Å; E137-I145 HydrophobicContact CG-CD1 3.63Å; N141-I145 WeakPolarHBondContact O-CG1 3.44Å; N141-I145 PolarHBondContact O-N 3.16Å; L142-I145 PolarHBondContact O-N 3.44Å; I145-R148 WeakPolarHBondContact O-CB 3.49Å; I145-R148 PolarHBondContact O-N 3.28Å; I145-D149 WeakPolarHBondContact O-CB 3.42Å; I145-D149 PolarHBondContact O-N 3.29Å; I145-L195 HydrophobicContact CD1-CD1 3.86Å; I145-L195 HydrophobicContact CG1-CD1 3.82Å |
| 146 | I | 97.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 5% | 0.051 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 179.5 | -57.1 | 162.8 | 0 | 0 | 0 | 109.9 | R78 V81 T82 L85 L142 G143 L144 R148 D149 Q150 | R78-I146 HydrophobicContact CG-CD1 4.07Å; V81-I146 HydrophobicContact CB-CD1 3.99Å; V81-I146 HydrophobicContact CG1-CB 4.4Å; V81-I146 HydrophobicContact CG1-CD1 3.8Å; V81-I146 HydrophobicContact CG1-CG2 4.36Å; T82-I146 WeakPolarHBondContact OG1-CG2 3.28Å; L85-I146 HydrophobicContact CD1-CB 3.97Å; L85-I146 HydrophobicContact CD1-CG2 3.52Å; L142-I146 HydrophobicContact CD1-CD1 3.94Å; L142-I146 HydrophobicContact CD1-CG1 4.17Å; L142-I146 HydrophobicContact CG-CD1 3.88Å; L142-I146 VanDerWaalsContact O-CG1 3.23Å; L142-I146 WeakPolarHBondContact O-CG1 3.39Å; L142-I146 PolarHBondContact O-N 2.91Å; G143-I146 PolarHBondContact O-N 3.29Å; L144-I146 PolarHBondContact O-N 3.4Å; I146-R148 PolarHBondContact O-N 3.06Å; I146-D149 PolarHBondContact O-N 3.16Å; I146-Q150 HydrophobicContact CG2-CB 4.36Å; I146-Q150 HydrophobicContact CG2-CG 3.75Å; I146-Q150 WeakPolarHBondContact O-CA 3.36Å; I146-Q150 WeakPolarHBondContact O-CB 3.47Å; I146-Q150 WeakPolarHBondContact O-CG 3.49Å; I146-Q150 PolarHBondContact O-N 3.44Å |
| 147 | F | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.4 | -167.3 | -87 | 0 | 0 | 0 | 112.1 | L85 V89 L105 W109 H112 G143 L144 V151 V152 M189 L193 | L85-F147 HydrophobicContact CD1-CB 4.23Å; L85-F147 HydrophobicContact CD1-CD2 4.47Å; L85-F147 HydrophobicContact CD2-CD2 3.75Å; L85-F147 HydrophobicContact CD2-CE2 4.32Å; V89-F147 HydrophobicContact CG1-CE2 4.17Å; L105-F147 HydrophobicContact CD1-CZ 4.32Å; W109-F147 HydrophobicContact CB-CE1 4.29Å; W109-F147 HydrophobicContact CB-CZ 3.99Å; W109-F147 HydrophobicContact CD2-CE1 4.4Å; W109-F147 AromaticContact CE3-CD1 3.63Å; W109-F147 HydrophobicContact CE3-CD1 3.63Å; W109-F147 HydrophobicContact CE3-CD2 4.47Å; W109-F147 AromaticContact CE3-CE1 3.61Å; W109-F147 HydrophobicContact CE3-CE1 3.61Å; W109-F147 HydrophobicContact CE3-CE2 4.47Å; W109-F147 HydrophobicContact CE3-CG 4.08Å; W109-F147 HydrophobicContact CE3-CZ 4.06Å; W109-F147 AromaticContact CZ3-CD1 3.91Å; W109-F147 HydrophobicContact CZ3-CD1 3.91Å; W109-F147 HydrophobicContact CZ3-CE1 4.35Å; W109-F147 HydrophobicContact CZ3-CG 4.23Å; H112-F147 HydrophobicContact CB-CD2 3.91Å; H112-F147 HydrophobicContact CB-CE2 4.02Å; H112-F147 AromaticContact CD2-CD2 3.53Å; H112-F147 AromaticContact CD2-CG 3.82Å; H112-F147 AromaticContact CG-CD2 3.67Å; G143-F147 PolarHBondContact O-N 3.46Å; L144-F147 PolarHBondContact O-N 2.79Å; F147-V151 HydrophobicContact CD1-CB 4.44Å; F147-V151 HydrophobicContact CD2-CB 4.4Å; F147-V151 HydrophobicContact CD2-CG2 4.1Å; F147-V151 HydrophobicContact CE1-CB 4.39Å; F147-V151 HydrophobicContact CE1-CG1 4.46Å; F147-V151 HydrophobicContact CE2-CB 4.35Å; F147-V151 HydrophobicContact CE2-CG1 4.38Å; F147-V151 HydrophobicContact CE2-CG2 4.23Å; F147-V151 HydrophobicContact CG-CB 4.45Å; F147-V151 HydrophobicContact CG-CG2 4.46Å; F147-V151 HydrophobicContact CZ-CB 4.34Å; F147-V151 HydrophobicContact CZ-CG1 4.14Å; F147-V151 WeakPolarHBondContact O-CA 3.13Å; F147-V151 VanDerWaalsContact O-CB 3.28Å; F147-V151 WeakPolarHBondContact O-CB 3.45Å; F147-V151 PolarHBondContact O-N 3.11Å; F147-V152 HydrophobicContact CD1-CG2 3.79Å; F147-V152 HydrophobicContact CE1-CG2 3.51Å; F147-V152 PolarHBondContact O-N 3.13Å; F147-V152 VanDerWaalsContact O-N 3.12Å; F147-M189 HydrophobicContact CE1-SD 3.99Å; F147-L193 HydrophobicContact CD1-CD1 4.37Å; F147-L193 HydrophobicContact CD1-CD2 4.22Å |
| 148 | R | 97.4 | Very high | 96.3 | Very high | 46 Ų | 46 | 32.3 Ų | 32.3 | 17% | 0.174 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -57.4 | -56.2 | 174.4 | -178.6 | -164.8 | 67.9 | -158.4 | -0.6 | 110.7 | L144 I145 I146 V152 R153 L193 V200 | L144-R148 WeakPolarHBondContact O-CB 3.48Å; L144-R148 PolarHBondContact O-N 3.45Å; I145-R148 WeakPolarHBondContact O-CB 3.49Å; I145-R148 PolarHBondContact O-N 3.28Å; I146-R148 PolarHBondContact O-N 3.06Å; R148-V152 PolarHBondContact O-N 3.12Å; R148-R153 HydrophobicContact CG-CG 4.14Å; R148-R153 VanDerWaalsContact O-CB 3.25Å; R148-R153 WeakPolarHBondContact O-CB 3.48Å; R148-R153 PolarHBondContact O-N 3.41Å; R148-L193 HydrophobicContact CB-CB 4.32Å; R148-L193 HydrophobicContact CB-CD1 4.44Å; R148-L193 HydrophobicContact CB-CD2 3.86Å; R148-L193 HydrophobicContact CB-CG 4.42Å; R148-L193 HydrophobicContact CG-CB 4.36Å; R148-V200 VanDerWaalsContact CD-CG2 3.48Å; R148-V200 HydrophobicContact CG-CG2 4.12Å |
| 149 | D | 96.9 | Very high | 96.3 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 34% | 0.337 | 16% | 0.164 | S | C | . | . | I | π-helix | trans | -76.1 | -34.8 | -170 | -66 | -19.6 | 0 | 0 | 0 | 112.4 | I145 I146 | I145-D149 WeakPolarHBondContact O-CB 3.42Å; I145-D149 PolarHBondContact O-N 3.29Å; I146-D149 PolarHBondContact O-N 3.16Å |
| 150 | Q | 97.2 | Very high | 96.4 | Very high | 57 Ų | 57 | 35.9 Ų | 35.9 | 27% | 0.266 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -97.5 | -20.7 | -174.9 | -54.2 | -59.4 | -30.4 | 0 | 0 | 113.6 | T82 I86 R90 I146 | T82-Q150 HydrophobicContact CG2-CG 4.31Å; I86-Q150 HydrophobicContact CG1-CB 4.18Å; I86-Q150 HydrophobicContact CG1-CG 4.36Å; R90-Q150 PolarHBondContact NE-O 2.94Å; R90-Q150 VanDerWaalsContact NH2-CA 3.29Å; R90-Q150 PolarHBondContact NH2-O 3.42Å; I146-Q150 HydrophobicContact CG2-CB 4.36Å; I146-Q150 HydrophobicContact CG2-CG 3.75Å; I146-Q150 WeakPolarHBondContact O-CA 3.36Å; I146-Q150 WeakPolarHBondContact O-CB 3.47Å; I146-Q150 WeakPolarHBondContact O-CG 3.49Å; I146-Q150 PolarHBondContact O-N 3.44Å |
| 151 | V | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -115 | -65.3 | 179.8 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | L85 V89 V93 L105 F147 Y154 I157 | L85-V151 HydrophobicContact CB-CG2 4.14Å; L85-V151 HydrophobicContact CD2-CG2 4.13Å; V89-V151 HydrophobicContact CG1-CG1 4.38Å; V89-V151 HydrophobicContact CG1-CG2 4.19Å; V93-V151 HydrophobicContact CG2-CG1 4.21Å; L105-V151 HydrophobicContact CD1-CG1 4.28Å; F147-V151 HydrophobicContact CD1-CB 4.44Å; F147-V151 HydrophobicContact CD2-CB 4.4Å; F147-V151 HydrophobicContact CD2-CG2 4.1Å; F147-V151 HydrophobicContact CE1-CB 4.39Å; F147-V151 HydrophobicContact CE1-CG1 4.46Å; F147-V151 HydrophobicContact CE2-CB 4.35Å; F147-V151 HydrophobicContact CE2-CG1 4.38Å; F147-V151 HydrophobicContact CE2-CG2 4.23Å; F147-V151 HydrophobicContact CG-CB 4.45Å; F147-V151 HydrophobicContact CG-CG2 4.46Å; F147-V151 HydrophobicContact CZ-CB 4.34Å; F147-V151 HydrophobicContact CZ-CG1 4.14Å; F147-V151 WeakPolarHBondContact O-CA 3.13Å; F147-V151 VanDerWaalsContact O-CB 3.28Å; F147-V151 WeakPolarHBondContact O-CB 3.45Å; F147-V151 PolarHBondContact O-N 3.11Å; V151-Y154 WeakPolarHBondContact O-CB 3.49Å; V151-Y154 PolarHBondContact O-N 2.84Å; V151-I157 WeakPolarHBondContact O-CD1 3.36Å; V151-I157 WeakPolarHBondContact O-CG2 3.2Å |
| 152 | V | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -69.3 | -42.1 | -170.4 | 177 | 0 | 0 | 0 | 0 | 112.6 | F147 R148 Y154 R158 L161 M189 L190 L193 | F147-V152 HydrophobicContact CD1-CG2 3.79Å; F147-V152 HydrophobicContact CE1-CG2 3.51Å; F147-V152 PolarHBondContact O-N 3.13Å; F147-V152 VanDerWaalsContact O-N 3.12Å; R148-V152 PolarHBondContact O-N 3.12Å; V152-Y154 VanDerWaalsContact C-N 3.3Å; V152-R158 VanDerWaalsContact O-CA 3.24Å; V152-R158 WeakPolarHBondContact O-CA 3.42Å; V152-R158 VanDerWaalsContact O-CB 3.27Å; V152-R158 WeakPolarHBondContact O-CB 3.2Å; V152-R158 PolarHBondContact O-N 3.29Å; V152-L161 HydrophobicContact CG1-CD2 4.14Å; V152-M189 HydrophobicContact CG1-CE 4.35Å; V152-M189 HydrophobicContact CG2-CE 3.84Å; V152-M189 HydrophobicContact CG2-SD 4.09Å; V152-L190 HydrophobicContact CG1-CD2 3.79Å; V152-L193 HydrophobicContact CB-CD1 4.08Å; V152-L193 HydrophobicContact CG1-CD1 4.23Å; V152-L193 HydrophobicContact CG2-CD1 3.68Å |
| 153 | R | 96 | Very high | 96.4 | Very high | 65 Ų | 65 | 39.7 Ų | 39.7 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 6.2 | 178.6 | -69 | -171.5 | 163.8 | -169.8 | -13.7 | 113.8 | R148 G155 E203 D204 | R148-R153 HydrophobicContact CG-CG 4.14Å; R148-R153 VanDerWaalsContact O-CB 3.25Å; R148-R153 WeakPolarHBondContact O-CB 3.48Å; R148-R153 PolarHBondContact O-N 3.41Å; R153-G155 PolarHBondContact O-N 3.01Å; R153-E203 IonicContact CZ-OE2 2.8Å; R153-E203 IonicContact NH1-OE2 3.52Å; R153-E203 IonicContact NH2-OE2 2.79Å; R153-E203 PolarHBondContact NH2-OE2 3.25Å; R153-D204 IonicContact CZ-OD2 2.65Å; R153-D204 IonicContact NE-OD2 2.85Å; R153-D204 PolarHBondContact NE-OD2 3.1Å; R153-D204 IonicContact NH2-OD1 3.74Å; R153-D204 IonicContact NH2-OD2 3.33Å; R153-D204 PolarHBondContact NH2-OD2 2.88Å |
| 154 | Y | 96.3 | Very high | 96.4 | Very high | 92 Ų | 92 | 41.2 Ų | 41.2 | 36% | 0.361 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -63.9 | 126.9 | 169.3 | -173.1 | -108.9 | 0 | 0 | 0 | 108.9 | R90 L94 V151 V152 C156 I157 R158 | R90-Y154 HydrophobicContact CG-CD1 4.25Å; R90-Y154 HydrophobicContact CG-CG 4.4Å; L94-Y154 HydrophobicContact CD1-CE1 3.99Å; L94-Y154 HydrophobicContact CD2-CD1 4.07Å; L94-Y154 HydrophobicContact CD2-CE1 3.97Å; V151-Y154 WeakPolarHBondContact O-CB 3.49Å; V151-Y154 PolarHBondContact O-N 2.84Å; V152-Y154 VanDerWaalsContact C-N 3.3Å; Y154-C156 VanDerWaalsContact CD1-SG 3.55Å; Y154-C156 WeakPolarHBondContact CE1-SG 3.45Å; Y154-C156 PolarHBondContact O-N 3.26Å; Y154-C156 VanDerWaalsContact O-N 3.1Å; Y154-I157 HydrophobicContact CD1-CD1 4.14Å; Y154-I157 HydrophobicContact CD1-CG1 4.26Å; Y154-I157 WeakPolarHBondContact O-CA 3.36Å; Y154-I157 WeakPolarHBondContact O-CB 3.18Å; Y154-I157 PolarHBondContact O-N 2.67Å; Y154-R158 PolarHBondContact O-N 3.43Å |
| 155 | G | 89 | Confident | 96.4 | Very high | 36 Ų | 36 | 41 Ų | 41 | 37% | 0.371 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -45.4 | -53.7 | -157.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R153 D159 | R153-G155 PolarHBondContact O-N 3.01Å; G155-D159 VanDerWaalsContact O-CG 3.25Å; G155-D159 PolarHBondContact O-N 3.36Å |
| 156 | C | 93.2 | Very high | 96.4 | Very high | 57 Ų | 57 | 40.3 Ų | 40.3 | 39% | 0.385 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -69.9 | -33.6 | 179.9 | 52.9 | 0 | 0 | 0 | 0 | 114 | L94 Y154 H160 | L94-C156 WeakPolarHBondContact CD2-SG 3.24Å; Y154-C156 VanDerWaalsContact CD1-SG 3.55Å; Y154-C156 WeakPolarHBondContact CE1-SG 3.45Å; Y154-C156 PolarHBondContact O-N 3.26Å; Y154-C156 VanDerWaalsContact O-N 3.1Å; C156-H160 WeakPolarHBondContact O-CB 3.44Å; C156-H160 PolarHBondContact O-N 3.47Å |
| 157 | I | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.1 | -45.1 | 178.3 | -66.8 | 173.3 | 0 | 0 | 0 | 110 | R90 V93 L94 F101 V151 Y154 H160 L161 | R90-I157 HydrophobicContact CG-CD1 4.03Å; V93-I157 HydrophobicContact CB-CD1 4.07Å; V93-I157 HydrophobicContact CG1-CD1 3.65Å; V93-I157 HydrophobicContact CG1-CG1 3.99Å; V93-I157 HydrophobicContact CG1-CG2 4.02Å; L94-I157 HydrophobicContact CD2-CD1 3.96Å; L94-I157 HydrophobicContact CD2-CG1 3.73Å; L94-I157 HydrophobicContact CG-CD1 4.12Å; L94-I157 HydrophobicContact CG-CG1 4.4Å; F101-I157 HydrophobicContact CE2-CG2 4.21Å; F101-I157 HydrophobicContact CZ-CG2 4.11Å; V151-I157 WeakPolarHBondContact O-CD1 3.36Å; V151-I157 WeakPolarHBondContact O-CG2 3.2Å; Y154-I157 HydrophobicContact CD1-CD1 4.14Å; Y154-I157 HydrophobicContact CD1-CG1 4.26Å; Y154-I157 WeakPolarHBondContact O-CA 3.36Å; Y154-I157 WeakPolarHBondContact O-CB 3.18Å; Y154-I157 PolarHBondContact O-N 2.67Å; I157-H160 PolarHBondContact O-N 2.9Å; I157-L161 VanDerWaalsContact O-CB 3.26Å; I157-L161 WeakPolarHBondContact O-CB 3.33Å; I157-L161 PolarHBondContact O-N 3.43Å |
| 158 | R | 96.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 44.1 Ų | 44.1 | 30% | 0.302 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.8 | -52.1 | 179.4 | -172.1 | -168.3 | 62.1 | -168.2 | -6.2 | 111.3 | V152 Y154 H160 L161 R162 D204 | V152-R158 VanDerWaalsContact O-CA 3.24Å; V152-R158 WeakPolarHBondContact O-CA 3.42Å; V152-R158 VanDerWaalsContact O-CB 3.27Å; V152-R158 WeakPolarHBondContact O-CB 3.2Å; V152-R158 PolarHBondContact O-N 3.29Å; Y154-R158 PolarHBondContact O-N 3.43Å; R158-H160 VanDerWaalsContact C-N 3.32Å; R158-H160 PolarHBondContact O-N 2.86Å; R158-L161 PolarHBondContact O-N 3.11Å; R158-R162 WeakPolarHBondContact O-CB 3.37Å; R158-R162 PolarHBondContact O-N 3.22Å; R158-D204 WeakPolarHBondContact CD-OD1 3.42Å; R158-D204 HydrophobicContact CG-CB 4.38Å |
| 159 | D | 95.8 | Very high | 96.2 | Very high | 75 Ų | 75 | 42 Ų | 42 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68 | -37.3 | -175 | -61.4 | -13.7 | 0 | 0 | 0 | 110.3 | G155 Q163 | G155-D159 VanDerWaalsContact O-CG 3.25Å; G155-D159 PolarHBondContact O-N 3.36Å; D159-Q163 WeakPolarHBondContact O-CB 3.35Å; D159-Q163 PolarHBondContact O-N 3.09Å |
| 160 | H | 96.7 | Very high | 96.2 | Very high | 56 Ų | 56 | 40.1 Ų | 40.1 | 26% | 0.259 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.5 | -39.4 | 175.3 | -167.7 | 84.5 | 0 | 0 | 0 | 112.9 | L97 F101 C156 I157 R158 Q163 T164 | L97-H160 HydrophobicContact CD2-CB 3.82Å; L97-H160 PolarHBondContact O-CE1 3.39Å; L97-H160 PolarHBondContact O-NE2 2.79Å; F101-H160 AromaticContact CD1-CD2 3.68Å; F101-H160 AromaticContact CE1-CD2 3.86Å; F101-H160 AromaticContact CG-CD2 3.85Å; C156-H160 WeakPolarHBondContact O-CB 3.44Å; C156-H160 PolarHBondContact O-N 3.47Å; I157-H160 PolarHBondContact O-N 2.9Å; R158-H160 VanDerWaalsContact C-N 3.32Å; R158-H160 PolarHBondContact O-N 2.86Å; H160-Q163 PolarHBondContact O-N 3.05Å; H160-T164 VanDerWaalsContact O-CB 3.28Å; H160-T164 WeakPolarHBondContact O-CB 3.45Å; H160-T164 PolarHBondContact O-N 3.5Å; H160-T164 PolarHBondContact O-OG1 3.23Å |
| 161 | L | 97.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -50.2 | 174 | 175.8 | 61.2 | 0 | 0 | 0 | 110.9 | F101 L102 L105 V152 I157 R158 Q163 T164 L165 A186 M189 L190 | F101-L161 HydrophobicContact CE1-CB 3.9Å; F101-L161 HydrophobicContact CE1-CD1 3.89Å; F101-L161 HydrophobicContact CZ-CB 3.98Å; F101-L161 HydrophobicContact CZ-CD1 4.48Å; L102-L161 HydrophobicContact CD2-CD1 3.54Å; L105-L161 HydrophobicContact CD2-CD1 4.01Å; L105-L161 HydrophobicContact CD2-CD2 4.08Å; V152-L161 HydrophobicContact CG1-CD2 4.14Å; I157-L161 VanDerWaalsContact O-CB 3.26Å; I157-L161 WeakPolarHBondContact O-CB 3.33Å; I157-L161 PolarHBondContact O-N 3.43Å; R158-L161 PolarHBondContact O-N 3.11Å; L161-Q163 PolarHBondContact O-N 3.41Å; L161-T164 PolarHBondContact O-N 3.21Å; L161-L165 HydrophobicContact CD1-CD1 3.96Å; L161-L165 HydrophobicContact CD1-CG 4.1Å; L161-L165 HydrophobicContact CG-CD1 4.18Å; L161-L165 VanDerWaalsContact O-CG 3.31Å; L161-L165 WeakPolarHBondContact O-CG 3.37Å; L161-L165 PolarHBondContact O-N 3.15Å; L161-A186 HydrophobicContact CD1-CB 4.26Å; L161-M189 HydrophobicContact CD2-CE 4.03Å; L161-L190 HydrophobicContact CD2-CD2 4.14Å |
| 162 | R | 96.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 42.9 Ų | 42.9 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.2 | -56.1 | 175.4 | -179.6 | -171.7 | -62.5 | 167.7 | -0.9 | 110.7 | R158 T164 L165 L166 D204 P208 | R158-R162 WeakPolarHBondContact O-CB 3.37Å; R158-R162 PolarHBondContact O-N 3.22Å; R162-T164 VanDerWaalsContact C-N 3.31Å; R162-T164 PolarHBondContact O-N 3.09Å; R162-L165 PolarHBondContact O-N 3.24Å; R162-L166 HydrophobicContact CG-CD1 3.88Å; R162-L166 HydrophobicContact CG-CG 4.35Å; R162-L166 WeakPolarHBondContact O-CB 3.21Å; R162-L166 VanDerWaalsContact O-CG 3.26Å; R162-L166 WeakPolarHBondContact O-CG 3.42Å; R162-L166 PolarHBondContact O-N 3.44Å; R162-D204 PolarHBondContact NE-O 3.47Å; R162-P208 HydrophobicContact CG-CB 4.15Å; R162-P208 HydrophobicContact CG-CG 4.32Å |
| 163 | Q | 96.6 | Very high | 95.8 | Very high | 96 Ų | 96 | 43.3 Ų | 43.3 | 45% | 0.449 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.3 | -42.8 | -177.4 | -170.1 | 60.9 | 45.9 | 0 | 0 | 111.9 | D159 H160 L161 L165 L166 D167 | D159-Q163 WeakPolarHBondContact O-CB 3.35Å; D159-Q163 PolarHBondContact O-N 3.09Å; H160-Q163 PolarHBondContact O-N 3.05Å; L161-Q163 PolarHBondContact O-N 3.41Å; Q163-L165 PolarHBondContact O-N 3.07Å; Q163-L166 PolarHBondContact O-N 3.09Å; Q163-D167 VanDerWaalsContact NE2-CG 3.33Å; Q163-D167 PolarHBondContact NE2-OD1 3.4Å; Q163-D167 PolarHBondContact NE2-OD2 2.83Å; Q163-D167 WeakPolarHBondContact O-CB 3.43Å; Q163-D167 VanDerWaalsContact O-CG 3.31Å; Q163-D167 PolarHBondContact O-N 2.82Å |
| 164 | T | 96.3 | Very high | 95.6 | Very high | 32 Ų | 32 | 47.9 Ų | 47.9 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 178.9 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | L102 H160 L161 R162 D167 M168 | L102-T164 HydrophobicContact CD1-CG2 3.95Å; L102-T164 HydrophobicContact CD2-CG2 4.38Å; L102-T164 HydrophobicContact CG-CG2 4.06Å; H160-T164 VanDerWaalsContact O-CB 3.28Å; H160-T164 WeakPolarHBondContact O-CB 3.45Å; H160-T164 PolarHBondContact O-N 3.5Å; H160-T164 PolarHBondContact O-OG1 3.23Å; L161-T164 PolarHBondContact O-N 3.21Å; R162-T164 VanDerWaalsContact C-N 3.31Å; R162-T164 PolarHBondContact O-N 3.09Å; T164-D167 PolarHBondContact O-N 3.35Å; T164-M168 HydrophobicContact CG2-SD 4.3Å; T164-M168 VanDerWaalsContact O-CG 3.27Å; T164-M168 WeakPolarHBondContact O-CG 3.39Å; T164-M168 PolarHBondContact O-N 2.85Å |
| 165 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 179.6 | -64.7 | 176.8 | 0 | 0 | 0 | 111.6 | L102 L161 R162 Q163 M168 I169 I183 A186 F205 | L102-L165 HydrophobicContact CD1-CD2 4.28Å; L102-L165 HydrophobicContact CD2-CD2 4.32Å; L161-L165 HydrophobicContact CD1-CD1 3.96Å; L161-L165 HydrophobicContact CD1-CG 4.1Å; L161-L165 HydrophobicContact CG-CD1 4.18Å; L161-L165 VanDerWaalsContact O-CG 3.31Å; L161-L165 WeakPolarHBondContact O-CG 3.37Å; L161-L165 PolarHBondContact O-N 3.15Å; R162-L165 PolarHBondContact O-N 3.24Å; Q163-L165 PolarHBondContact O-N 3.07Å; L165-M168 PolarHBondContact O-N 2.79Å; L165-I169 WeakPolarHBondContact O-CG1 3.29Å; L165-I169 PolarHBondContact O-N 3.46Å; L165-I169 VanDerWaalsContact O-N 3.12Å; L165-I183 HydrophobicContact CD2-CB 4.39Å; L165-I183 HydrophobicContact CD2-CG1 4.24Å; L165-I183 HydrophobicContact CD2-CG2 4.36Å; L165-A186 HydrophobicContact CD1-CB 4.01Å; L165-A186 HydrophobicContact CD2-CB 3.86Å; L165-F205 HydrophobicContact CB-CD2 3.9Å; L165-F205 HydrophobicContact CB-CE2 3.65Å; L165-F205 HydrophobicContact CD1-CD2 3.79Å; L165-F205 HydrophobicContact CD1-CE2 4.15Å; L165-F205 HydrophobicContact CD1-CG 4.37Å |
| 166 | L | 97.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 49.1 Ų | 49.1 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 176.7 | -68.3 | -177.3 | 0 | 0 | 0 | 111.9 | R162 Q163 M168 I169 A170 F205 P208 F209 M212 | R162-L166 HydrophobicContact CG-CD1 3.88Å; R162-L166 HydrophobicContact CG-CG 4.35Å; R162-L166 WeakPolarHBondContact O-CB 3.21Å; R162-L166 VanDerWaalsContact O-CG 3.26Å; R162-L166 WeakPolarHBondContact O-CG 3.42Å; R162-L166 PolarHBondContact O-N 3.44Å; Q163-L166 PolarHBondContact O-N 3.09Å; L166-M168 PolarHBondContact O-N 3.32Å; L166-I169 PolarHBondContact O-N 2.96Å; L166-A170 WeakPolarHBondContact O-CB 3.34Å; L166-A170 PolarHBondContact O-N 3.44Å; L166-F205 HydrophobicContact CD2-CE2 4.21Å; L166-P208 HydrophobicContact CD1-CB 4.07Å; L166-F209 VanDerWaalsContact CD2-CA 3.44Å; L166-F209 HydrophobicContact CD2-CB 3.73Å; L166-F209 HydrophobicContact CD2-CD2 4.4Å; L166-M212 HydrophobicContact CB-CE 4.43Å; L166-M212 HydrophobicContact CB-SD 3.75Å; L166-M212 HydrophobicContact CD2-CE 3.99Å; L166-M212 HydrophobicContact CD2-SD 4.07Å; L166-M212 HydrophobicContact CG-SD 4.34Å |
| 167 | D | 96.2 | Very high | 95.6 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 178.5 | -76.4 | -15 | 0 | 0 | 0 | 112.2 | Q163 T164 A170 R171 | Q163-D167 VanDerWaalsContact NE2-CG 3.33Å; Q163-D167 PolarHBondContact NE2-OD1 3.4Å; Q163-D167 PolarHBondContact NE2-OD2 2.83Å; Q163-D167 WeakPolarHBondContact O-CB 3.43Å; Q163-D167 VanDerWaalsContact O-CG 3.31Å; Q163-D167 PolarHBondContact O-N 2.82Å; T164-D167 PolarHBondContact O-N 3.35Å; D167-A170 PolarHBondContact O-N 2.92Å; D167-R171 WeakPolarHBondContact O-CB 3.41Å; D167-R171 VanDerWaalsContact O-CG 3.3Å; D167-R171 WeakPolarHBondContact O-CG 3.49Å; D167-R171 PolarHBondContact O-N 3.41Å |
| 168 | M | 96.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 173.5 | -72.6 | 177.8 | 74.8 | 0 | 0 | 111.1 | L102 T164 L165 L166 R171 E172 V178 D179 A182 I183 | L102-M168 HydrophobicContact CD1-CE 4.5Å; L102-M168 HydrophobicContact CD1-SD 3.59Å; L102-M168 VanDerWaalsContact CD1-SD 3.59Å; T164-M168 HydrophobicContact CG2-SD 4.3Å; T164-M168 VanDerWaalsContact O-CG 3.27Å; T164-M168 WeakPolarHBondContact O-CG 3.39Å; T164-M168 PolarHBondContact O-N 2.85Å; L165-M168 PolarHBondContact O-N 2.79Å; L166-M168 PolarHBondContact O-N 3.32Å; M168-R171 PolarHBondContact O-N 2.92Å; M168-E172 PolarHBondContact O-N 3Å; M168-V178 HydrophobicContact CB-CG1 4.49Å; M168-V178 HydrophobicContact CE-CB 4.18Å; M168-V178 WeakPolarHBondContact O-CG1 3.34Å; M168-D179 HydrophobicContact CE-CB 4.12Å; M168-D179 WeakPolarHBondContact CE-O 3.03Å; M168-A182 HydrophobicContact CE-CB 4.48Å; M168-I183 HydrophobicContact CB-CD1 3.96Å; M168-I183 HydrophobicContact CB-CG1 4.35Å; M168-I183 HydrophobicContact CE-CD1 4.14Å; M168-I183 HydrophobicContact CE-CG1 3.83Å; M168-I183 HydrophobicContact SD-CG1 4.11Å |
| 169 | I | 96.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 178.2 | -65.3 | 164.5 | 0 | 0 | 0 | 111.4 | L165 L166 R171 E172 R173 I183 F205 F209 M212 L252 | L165-I169 WeakPolarHBondContact O-CG1 3.29Å; L165-I169 PolarHBondContact O-N 3.46Å; L165-I169 VanDerWaalsContact O-N 3.12Å; L166-I169 PolarHBondContact O-N 2.96Å; I169-R171 VanDerWaalsContact C-N 3.33Å; I169-R171 PolarHBondContact O-N 3.28Å; I169-E172 PolarHBondContact O-N 2.92Å; I169-R173 PolarHBondContact O-N 2.93Å; I169-I183 HydrophobicContact CG1-CD1 4.21Å; I169-F205 HydrophobicContact CD1-CE2 4.03Å; I169-F205 HydrophobicContact CD1-CZ 3.71Å; I169-F209 HydrophobicContact CD1-CD2 3.87Å; I169-F209 HydrophobicContact CD1-CE2 4.03Å; I169-F209 HydrophobicContact CG2-CD2 4.46Å; I169-F209 HydrophobicContact CG2-CE2 3.93Å; I169-M212 HydrophobicContact CB-CE 4.49Å; I169-M212 HydrophobicContact CG2-CE 4.32Å; I169-L252 HydrophobicContact CD1-CD2 4.39Å |
| 170 | A | 95.8 | Very high | 95.2 | Very high | 24 Ų | 24 | 56.3 Ų | 56.3 | 20% | 0.198 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L166 D167 K174 M212 | L166-A170 WeakPolarHBondContact O-CB 3.34Å; L166-A170 PolarHBondContact O-N 3.44Å; D167-A170 PolarHBondContact O-N 2.92Å; A170-K174 WeakPolarHBondContact O-CG 3.36Å; A170-M212 HydrophobicContact CB-SD 4.35Å |
| 171 | R | 95.4 | Very high | 95.1 | Very high | 95 Ų | 95 | 54.7 Ų | 54.7 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 174.4 | -73.1 | -175.1 | -54.8 | 120.9 | -8.1 | 111.9 | D167 M168 I169 R173 K174 G175 E176 V178 | D167-R171 WeakPolarHBondContact O-CB 3.41Å; D167-R171 VanDerWaalsContact O-CG 3.3Å; D167-R171 WeakPolarHBondContact O-CG 3.49Å; D167-R171 PolarHBondContact O-N 3.41Å; M168-R171 PolarHBondContact O-N 2.92Å; I169-R171 VanDerWaalsContact C-N 3.33Å; I169-R171 PolarHBondContact O-N 3.28Å; R171-R173 VanDerWaalsContact C-N 3.33Å; R171-R173 PolarHBondContact O-N 2.88Å; R171-K174 WeakPolarHBondContact O-CA 3.28Å; R171-K174 WeakPolarHBondContact O-CB 3.43Å; R171-K174 PolarHBondContact O-N 3.44Å; R171-G175 PolarHBondContact O-N 2.99Å; R171-E176 HydrophobicContact CB-CB 4.07Å; R171-E176 HydrophobicContact CB-CG 4.33Å; R171-E176 VanDerWaalsContact CD-OE2 3.32Å; R171-E176 WeakPolarHBondContact CD-OE2 3.46Å; R171-E176 IonicContact NH1-OE2 2.82Å; R171-E176 PolarHBondContact NH1-OE2 2.65Å; R171-E176 WeakPolarHBondContact O-CB 3.47Å; R171-E176 PolarHBondContact O-N 2.9Å; R171-E176 VanDerWaalsContact O-N 3.13Å; R171-V178 HydrophobicContact CB-CG1 4.35Å |
| 172 | E | 95.1 | Very high | 95 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 175.3 | -168.5 | -167.7 | -145.5 | 0 | 0 | 112.1 | M168 I169 K174 G175 E176 V178 R180 R247 | M168-E172 PolarHBondContact O-N 3Å; I169-E172 PolarHBondContact O-N 2.92Å; E172-K174 PolarHBondContact O-N 2.91Å; E172-K174 VanDerWaalsContact O-N 3.11Å; E172-G175 WeakPolarHBondContact O-CA 3.28Å; E172-G175 PolarHBondContact O-N 3.44Å; E172-E176 WeakPolarHBondContact CA-O 3.04Å; E172-V178 HydrophobicContact CB-CG1 4.35Å; E172-V178 HydrophobicContact CB-CG2 3.79Å; E172-V178 HydrophobicContact CG-CG2 3.99Å; E172-R180 IonicContact OE1-CZ 3.19Å; E172-R180 IonicContact OE1-NE 3.47Å; E172-R180 PolarHBondContact OE1-NE 3.34Å; E172-R180 IonicContact OE1-NH2 2.89Å; E172-R180 PolarHBondContact OE1-NH2 3.28Å; E172-R247 IonicContact OE2-CZ 2.84Å; E172-R247 IonicContact OE2-NE 3.45Å; E172-R247 PolarHBondContact OE2-NE 3.22Å; E172-R247 IonicContact OE2-NH2 2.67Å |
| 173 | R | 94.2 | Very high | 95 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 4% | 0.038 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -20.7 | 176.3 | -76.8 | -179.5 | 173.7 | 149.1 | 5 | 113.9 | I169 R171 S213 F216 R240 E244 | I169-R173 PolarHBondContact O-N 2.93Å; R171-R173 VanDerWaalsContact C-N 3.33Å; R171-R173 PolarHBondContact O-N 2.88Å; R173-S213 PolarHBondContact NH1-OG 2.73Å; R173-S213 PolarHBondContact NH2-OG 3.28Å; R173-F216 HydrophobicContact CB-CE1 4.43Å; R173-F216 HydrophobicContact CB-CE2 4.21Å; R173-F216 HydrophobicContact CB-CZ 3.93Å; R173-F216 HydrophobicContact CG-CZ 4.49Å; R173-R240 PolarHBondContact O-NH1 3.38Å; R173-R240 PolarHBondContact O-NH2 3.48Å; R173-E244 IonicContact CZ-OE1 3.54Å; R173-E244 IonicContact CZ-OE2 3.86Å; R173-E244 IonicContact NE-OE1 3.62Å; R173-E244 PolarHBondContact NE-OE1 3.33Å; R173-E244 IonicContact NE-OE2 2.9Å; R173-E244 VanDerWaalsContact NH2-CD 3.25Å; R173-E244 IonicContact NH2-OE1 3.51Å; R173-E244 PolarHBondContact NH2-OE1 3.37Å; R173-E244 IonicContact NH2-OE2 3.94Å; R173-E244 PolarHBondContact NH2-OE2 2.9Å |
| 174 | K | 91.7 | Very high | 95.1 | Very high | 160 Ų | 160 | 53.4 Ų | 53.4 | 70% | 0.696 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -0 | 174.2 | -63.5 | 174.5 | -174.7 | 175.2 | 0 | 113.2 | A170 R171 E172 | A170-K174 WeakPolarHBondContact O-CG 3.36Å; R171-K174 WeakPolarHBondContact O-CA 3.28Å; R171-K174 WeakPolarHBondContact O-CB 3.43Å; R171-K174 PolarHBondContact O-N 3.44Å; E172-K174 PolarHBondContact O-N 2.91Å; E172-K174 VanDerWaalsContact O-N 3.11Å |
| 175 | G | 91 | Very high | 95.1 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.1 | 9.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R171 E172 | R171-G175 PolarHBondContact O-N 2.99Å; E172-G175 WeakPolarHBondContact O-CA 3.28Å; E172-G175 PolarHBondContact O-N 3.44Å |
| 176 | E | 94.6 | Very high | 95.1 | Very high | 86 Ų | 86 | 54.5 Ų | 54.5 | 40% | 0.402 | 29% | 0.29 | S | S | . | . | trans | -77.2 | 144.1 | 174.7 | -63.1 | 179.3 | -136.7 | 0 | 0 | 111.5 | R171 E172 V178 | R171-E176 HydrophobicContact CB-CB 4.07Å; R171-E176 HydrophobicContact CB-CG 4.33Å; R171-E176 VanDerWaalsContact CD-OE2 3.32Å; R171-E176 WeakPolarHBondContact CD-OE2 3.46Å; R171-E176 IonicContact NH1-OE2 2.82Å; R171-E176 PolarHBondContact NH1-OE2 2.65Å; R171-E176 WeakPolarHBondContact O-CB 3.47Å; R171-E176 PolarHBondContact O-N 2.9Å; R171-E176 VanDerWaalsContact O-N 3.13Å; E172-E176 WeakPolarHBondContact CA-O 3.04Å; E176-V178 PolarHBondContact O-N 2.82Å | ||
| 177 | V | 92.2 | Very high | 95.1 | Very high | 145 Ų | 145 | 54.1 Ų | 54.1 | 88% | 0.879 | 29% | 0.288 | S | S | * | . | trans | -76.5 | 125.1 | 174 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 178 | V | 93.7 | Very high | 95.1 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 12% | 0.121 | 29% | 0.291 | C | S | . | . | trans | -125 | 155.1 | 177.2 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | M168 R171 E172 E176 R180 I183 | M168-V178 HydrophobicContact CB-CG1 4.49Å; M168-V178 HydrophobicContact CE-CB 4.18Å; M168-V178 WeakPolarHBondContact O-CG1 3.34Å; R171-V178 HydrophobicContact CB-CG1 4.35Å; E172-V178 HydrophobicContact CB-CG1 4.35Å; E172-V178 HydrophobicContact CB-CG2 3.79Å; E172-V178 HydrophobicContact CG-CG2 3.99Å; E176-V178 PolarHBondContact O-N 2.82Å; V178-R180 PolarHBondContact O-N 2.86Å; V178-I183 HydrophobicContact CG2-CD1 4.29Å | ||
| 179 | D | 93.4 | Very high | 95.1 | Very high | 103 Ų | 103 | 54.6 Ų | 54.6 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | trans | -74.3 | 88.6 | 174.9 | -173 | -8.8 | 0 | 0 | 0 | 110.6 | M168 G181 A182 I183 | M168-D179 HydrophobicContact CE-CB 4.12Å; M168-D179 WeakPolarHBondContact CE-O 3.03Å; D179-G181 PolarHBondContact O-N 2.93Å; D179-G181 WeakPolarHBondContact OD1-CA 3.21Å; D179-G181 PolarHBondContact OD1-N 3.34Å; D179-A182 HydrophobicContact CB-CB 4.02Å; D179-A182 PolarHBondContact O-N 2.93Å; D179-A182 PolarHBondContact OD1-N 3.36Å; D179-I183 PolarHBondContact O-N 2.91Å | ||
| 180 | R | 94.4 | Very high | 95.2 | Very high | 95 Ų | 95 | 54.6 Ų | 54.6 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.8 | -31 | 174.2 | -69 | -169.9 | 172.3 | -177.5 | -1.4 | 112.6 | E172 V178 I183 R184 H250 C251 | E172-R180 IonicContact OE1-CZ 3.19Å; E172-R180 IonicContact OE1-NE 3.47Å; E172-R180 PolarHBondContact OE1-NE 3.34Å; E172-R180 IonicContact OE1-NH2 2.89Å; E172-R180 PolarHBondContact OE1-NH2 3.28Å; V178-R180 PolarHBondContact O-N 2.86Å; R180-I183 PolarHBondContact O-N 3.33Å; R180-R184 WeakPolarHBondContact O-CB 3.39Å; R180-R184 PolarHBondContact O-N 3.14Å; R180-H250 PolarHBondContact NH1-CD2 3.39Å; R180-H250 VanDerWaalsContact NH1-CD2 3.27Å; R180-C251 WeakPolarHBondContact CB-SG 3.43Å; R180-C251 WeakPolarHBondContact CG-SG 3.34Å |
| 181 | G | 95.3 | Very high | 95.2 | Very high | 23 Ų | 23 | 55.6 Ų | 55.6 | 24% | 0.237 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D179 R184 N185 | D179-G181 PolarHBondContact O-N 2.93Å; D179-G181 WeakPolarHBondContact OD1-CA 3.21Å; D179-G181 PolarHBondContact OD1-N 3.34Å; G181-R184 PolarHBondContact O-N 3.34Å; G181-N185 WeakPolarHBondContact O-CB 3.29Å; G181-N185 PolarHBondContact O-N 3.49Å; G181-N185 PolarHBondContact O-ND2 2.97Å; G181-N185 PolarHBondContact O-OD1 3.41Å |
| 182 | A | 95.5 | Very high | 95.2 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L102 M168 D179 N185 A186 | L102-A182 HydrophobicContact CB-CB 4.47Å; L102-A182 HydrophobicContact CD1-CB 3.94Å; M168-A182 HydrophobicContact CE-CB 4.48Å; D179-A182 HydrophobicContact CB-CB 4.02Å; D179-A182 PolarHBondContact O-N 2.93Å; D179-A182 PolarHBondContact OD1-N 3.36Å; A182-N185 PolarHBondContact O-N 3.18Å; A182-A186 WeakPolarHBondContact O-CB 3.28Å; A182-A186 PolarHBondContact O-N 3.27Å |
| 183 | I | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | 175.6 | -59.2 | 170.4 | 0 | 0 | 0 | 110 | L165 M168 I169 V178 D179 R180 N185 A186 C187 C251 L252 | L165-I183 HydrophobicContact CD2-CB 4.39Å; L165-I183 HydrophobicContact CD2-CG1 4.24Å; L165-I183 HydrophobicContact CD2-CG2 4.36Å; M168-I183 HydrophobicContact CB-CD1 3.96Å; M168-I183 HydrophobicContact CB-CG1 4.35Å; M168-I183 HydrophobicContact CE-CD1 4.14Å; M168-I183 HydrophobicContact CE-CG1 3.83Å; M168-I183 HydrophobicContact SD-CG1 4.11Å; I169-I183 HydrophobicContact CG1-CD1 4.21Å; V178-I183 HydrophobicContact CG2-CD1 4.29Å; D179-I183 PolarHBondContact O-N 2.91Å; R180-I183 PolarHBondContact O-N 3.33Å; I183-N185 PolarHBondContact O-N 2.98Å; I183-A186 PolarHBondContact O-N 3.02Å; I183-C187 WeakPolarHBondContact O-CB 3.31Å; I183-C187 PolarHBondContact O-N 3.48Å; I183-C187 PolarHBondContact O-SG 3.5Å; I183-C251 HydrophobicContact CB-CB 4.19Å; I183-C251 HydrophobicContact CG2-CB 3.87Å; I183-L252 HydrophobicContact CG2-CD2 3.98Å |
| 184 | R | 97.2 | Very high | 95.3 | Very high | 119 Ų | 119 | 53.2 Ų | 53.2 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 179.2 | -169.7 | -175 | 67.6 | -166.1 | -1.8 | 112.2 | R180 G181 A186 C187 Q188 C251 | R180-R184 WeakPolarHBondContact O-CB 3.39Å; R180-R184 PolarHBondContact O-N 3.14Å; G181-R184 PolarHBondContact O-N 3.34Å; R184-A186 VanDerWaalsContact C-N 3.33Å; R184-A186 PolarHBondContact O-N 3.47Å; R184-C187 PolarHBondContact O-N 2.89Å; R184-Q188 HydrophobicContact CG-CG 4.43Å; R184-Q188 WeakPolarHBondContact O-CB 3.41Å; R184-Q188 VanDerWaalsContact O-CG 3.27Å; R184-Q188 WeakPolarHBondContact O-CG 3.49Å; R184-Q188 PolarHBondContact O-N 3.43Å; R184-C251 VanDerWaalsContact CA-O 3.22Å; R184-C251 WeakPolarHBondContact CA-O 3.3Å; R184-C251 PolarHBondContact N-O 3.25Å |
| 185 | N | 97.1 | Very high | 95.2 | Very high | 46 Ų | 46 | 48.2 Ų | 48.2 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | -178.7 | -65.2 | -12.5 | 0 | 0 | 0 | 111.1 | G181 A182 I183 Q188 M189 | G181-N185 WeakPolarHBondContact O-CB 3.29Å; G181-N185 PolarHBondContact O-N 3.49Å; G181-N185 PolarHBondContact O-ND2 2.97Å; G181-N185 PolarHBondContact O-OD1 3.41Å; A182-N185 PolarHBondContact O-N 3.18Å; I183-N185 PolarHBondContact O-N 2.98Å; N185-Q188 PolarHBondContact O-N 3.48Å; N185-M189 WeakPolarHBondContact O-CB 3.45Å; N185-M189 PolarHBondContact O-N 3.15Å |
| 186 | A | 97.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 54.3 Ų | 54.3 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L161 L165 A182 I183 R184 Q188 M189 L190 | L161-A186 HydrophobicContact CD1-CB 4.26Å; L165-A186 HydrophobicContact CD1-CB 4.01Å; L165-A186 HydrophobicContact CD2-CB 3.86Å; A182-A186 WeakPolarHBondContact O-CB 3.28Å; A182-A186 PolarHBondContact O-N 3.27Å; I183-A186 PolarHBondContact O-N 3.02Å; R184-A186 VanDerWaalsContact C-N 3.33Å; R184-A186 PolarHBondContact O-N 3.47Å; A186-Q188 PolarHBondContact O-N 3.25Å; A186-M189 WeakPolarHBondContact O-CB 3.49Å; A186-M189 PolarHBondContact O-N 2.92Å; A186-L190 WeakPolarHBondContact O-CG 3.25Å; A186-L190 PolarHBondContact O-N 3.26Å |
| 187 | C | 97.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.8 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | I183 R184 L190 M191 Y201 | I183-C187 WeakPolarHBondContact O-CB 3.31Å; I183-C187 PolarHBondContact O-N 3.48Å; I183-C187 PolarHBondContact O-SG 3.5Å; R184-C187 PolarHBondContact O-N 2.89Å; C187-L190 PolarHBondContact O-N 3.47Å; C187-M191 WeakPolarHBondContact O-CG 3.47Å; C187-M191 PolarHBondContact O-N 3.23Å; C187-Y201 HydrophobicContact CB-CD2 4.25Å; C187-Y201 HydrophobicContact CB-CE2 3.73Å |
| 188 | Q | 96.4 | Very high | 94.7 | Very high | 98 Ų | 98 | 47.9 Ų | 47.9 | 46% | 0.458 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.7 | -75.4 | 176.3 | -16.8 | 0 | 0 | 112.1 | R184 N185 A186 M191 I192 | R184-Q188 HydrophobicContact CG-CG 4.43Å; R184-Q188 WeakPolarHBondContact O-CB 3.41Å; R184-Q188 VanDerWaalsContact O-CG 3.27Å; R184-Q188 WeakPolarHBondContact O-CG 3.49Å; R184-Q188 PolarHBondContact O-N 3.43Å; N185-Q188 PolarHBondContact O-N 3.48Å; A186-Q188 PolarHBondContact O-N 3.25Å; Q188-M191 PolarHBondContact O-N 3.43Å; Q188-I192 VanDerWaalsContact O-CG1 3.3Å; Q188-I192 WeakPolarHBondContact O-CG1 3.49Å; Q188-I192 PolarHBondContact O-N 3.42Å |
| 189 | M | 97.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 173.2 | 176 | -170.6 | 72.3 | 0 | 0 | 110.9 | L105 W109 F147 V152 L161 N185 A186 M191 I192 L193 | L105-M189 HydrophobicContact CD2-CE 3.98Å; L105-M189 HydrophobicContact CG-CE 4.29Å; L105-M189 HydrophobicContact CG-SD 4.34Å; W109-M189 HydrophobicContact CB-CG 4.48Å; W109-M189 HydrophobicContact CB-SD 3.89Å; W109-M189 HydrophobicContact CD2-CB 4.37Å; W109-M189 HydrophobicContact CD2-CG 3.61Å; W109-M189 HydrophobicContact CD2-SD 4.1Å; W109-M189 HydrophobicContact CE3-CG 4.12Å; W109-M189 HydrophobicContact CE3-SD 4.49Å; W109-M189 HydrophobicContact CG-CB 4.29Å; W109-M189 HydrophobicContact CG-CG 3.76Å; W109-M189 HydrophobicContact CG-SD 3.82Å; W109-M189 HydrophobicContact CZ2-CG 4.25Å; F147-M189 HydrophobicContact CE1-SD 3.99Å; V152-M189 HydrophobicContact CG1-CE 4.35Å; V152-M189 HydrophobicContact CG2-CE 3.84Å; V152-M189 HydrophobicContact CG2-SD 4.09Å; L161-M189 HydrophobicContact CD2-CE 4.03Å; N185-M189 WeakPolarHBondContact O-CB 3.45Å; N185-M189 PolarHBondContact O-N 3.15Å; A186-M189 WeakPolarHBondContact O-CB 3.49Å; A186-M189 PolarHBondContact O-N 2.92Å; M189-M191 VanDerWaalsContact C-N 3.28Å; M189-M191 PolarHBondContact O-N 2.94Å; M189-I192 PolarHBondContact O-N 2.93Å; M189-L193 HydrophobicContact CG-CD1 3.84Å; M189-L193 HydrophobicContact CG-CG 4.34Å; M189-L193 WeakPolarHBondContact O-CB 3.44Å; M189-L193 VanDerWaalsContact O-CG 3.28Å; M189-L193 WeakPolarHBondContact O-CG 3.26Å; M189-L193 PolarHBondContact O-N 2.92Å; M189-L193 HydrophobicContact SD-CD1 4.47Å |
| 190 | L | 97.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -37.1 | 179.2 | -67.5 | 172.7 | 0 | 0 | 0 | 112.2 | V152 L161 A186 C187 G194 V200 Y201 F205 | V152-L190 HydrophobicContact CG1-CD2 3.79Å; L161-L190 HydrophobicContact CD2-CD2 4.14Å; A186-L190 WeakPolarHBondContact O-CG 3.25Å; A186-L190 PolarHBondContact O-N 3.26Å; C187-L190 PolarHBondContact O-N 3.47Å; L190-G194 PolarHBondContact O-N 3.19Å; L190-V200 HydrophobicContact CB-CG1 4.41Å; L190-V200 HydrophobicContact CD2-CG1 3.81Å; L190-V200 WeakPolarHBondContact O-CB 3.31Å; L190-Y201 HydrophobicContact CB-CD2 4.2Å; L190-F205 HydrophobicContact CD1-CB 3.77Å |
| 191 | M | 96.2 | Very high | 95 | Very high | 44 Ų | 44 | 39.9 Ų | 39.9 | 22% | 0.217 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -48.9 | 173.4 | -75.1 | -64.6 | -66.8 | 0 | 0 | 111.7 | C187 Q188 M189 L193 G194 R198 Y201 D253 | C187-M191 WeakPolarHBondContact O-CG 3.47Å; C187-M191 PolarHBondContact O-N 3.23Å; Q188-M191 PolarHBondContact O-N 3.43Å; M189-M191 VanDerWaalsContact C-N 3.28Å; M189-M191 PolarHBondContact O-N 2.94Å; M191-L193 VanDerWaalsContact C-N 3.29Å; M191-L193 PolarHBondContact O-N 3.48Å; M191-G194 PolarHBondContact O-N 2.89Å; M191-G194 VanDerWaalsContact O-N 3.09Å; M191-R198 HydrophobicContact CE-CB 4.06Å; M191-R198 HydrophobicContact SD-CB 3.91Å; M191-Y201 HydrophobicContact CG-CD2 4.07Å; M191-Y201 HydrophobicContact CG-CG 3.93Å; M191-Y201 WeakPolarHBondContact SD-CB 3.24Å; M191-Y201 HydrophobicContact SD-CD1 3.65Å; M191-Y201 HydrophobicContact SD-CD2 4.23Å; M191-Y201 HydrophobicContact SD-CE1 4.45Å; M191-Y201 HydrophobicContact SD-CG 3.5Å; M191-Y201 VanDerWaalsContact SD-CG 3.5Å; M191-D253 HydrophobicContact CE-CB 4.46Å; M191-D253 HydrophobicContact CG-CB 4.15Å; M191-D253 HydrophobicContact SD-CB 4.19Å |
| 192 | I | 96.2 | Very high | 95 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 34% | 0.338 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.5 | -35.8 | -179.7 | -66.4 | 165.2 | 0 | 0 | 0 | 111.5 | W109 L144 Q188 M189 G194 L195 | W109-I192 HydrophobicContact CH2-CB 4.4Å; W109-I192 HydrophobicContact CH2-CG2 3.83Å; W109-I192 HydrophobicContact CZ2-CB 3.99Å; W109-I192 HydrophobicContact CZ2-CD1 4.16Å; W109-I192 HydrophobicContact CZ2-CG2 3.7Å; L144-I192 HydrophobicContact CD1-CG2 3.75Å; Q188-I192 VanDerWaalsContact O-CG1 3.3Å; Q188-I192 WeakPolarHBondContact O-CG1 3.49Å; Q188-I192 PolarHBondContact O-N 3.42Å; M189-I192 PolarHBondContact O-N 2.93Å; I192-G194 PolarHBondContact O-N 2.63Å; I192-L195 PolarHBondContact O-N 2.8Å |
| 193 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -15.6 | 177.5 | -71.9 | 173.5 | 0 | 0 | 0 | 113.6 | W109 L144 F147 R148 V152 M189 M191 L195 V200 | W109-L193 HydrophobicContact CH2-CD2 3.91Å; W109-L193 HydrophobicContact CH2-CG 4.25Å; W109-L193 HydrophobicContact CZ3-CD2 3.71Å; W109-L193 HydrophobicContact CZ3-CG 4.31Å; L144-L193 HydrophobicContact CB-CD2 4.29Å; L144-L193 VanDerWaalsContact O-CD2 3.3Å; L144-L193 WeakPolarHBondContact O-CD2 3.48Å; F147-L193 HydrophobicContact CD1-CD1 4.37Å; F147-L193 HydrophobicContact CD1-CD2 4.22Å; R148-L193 HydrophobicContact CB-CB 4.32Å; R148-L193 HydrophobicContact CB-CD1 4.44Å; R148-L193 HydrophobicContact CB-CD2 3.86Å; R148-L193 HydrophobicContact CB-CG 4.42Å; R148-L193 HydrophobicContact CG-CB 4.36Å; V152-L193 HydrophobicContact CB-CD1 4.08Å; V152-L193 HydrophobicContact CG1-CD1 4.23Å; V152-L193 HydrophobicContact CG2-CD1 3.68Å; M189-L193 HydrophobicContact CG-CD1 3.84Å; M189-L193 HydrophobicContact CG-CG 4.34Å; M189-L193 WeakPolarHBondContact O-CB 3.44Å; M189-L193 VanDerWaalsContact O-CG 3.28Å; M189-L193 WeakPolarHBondContact O-CG 3.26Å; M189-L193 PolarHBondContact O-N 2.92Å; M189-L193 HydrophobicContact SD-CD1 4.47Å; M191-L193 VanDerWaalsContact C-N 3.29Å; M191-L193 PolarHBondContact O-N 3.48Å; L193-L195 PolarHBondContact O-N 2.9Å; L193-V200 HydrophobicContact CB-CB 4.34Å; L193-V200 HydrophobicContact CB-CG1 4Å; L193-V200 HydrophobicContact CB-CG2 4.32Å |
| 194 | G | 93.3 | Very high | 95 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -5.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L190 M191 I192 E196 G197 | L190-G194 PolarHBondContact O-N 3.19Å; M191-G194 PolarHBondContact O-N 2.89Å; M191-G194 VanDerWaalsContact O-N 3.09Å; I192-G194 PolarHBondContact O-N 2.63Å; G194-E196 PolarHBondContact O-N 3.04Å; G194-G197 CarbonylContact C-O 3.24Å; G194-G197 WeakPolarHBondContact CA-O 3.44Å; G194-G197 PolarHBondContact O-N 2.76Å |
| 195 | L | 90.1 | Very high | 95 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | -98.1 | -177.1 | -56.3 | 175.3 | 0 | 0 | 0 | 112.4 | N141 L144 I145 I192 L193 | N141-L195 HydrophobicContact CB-CD2 4.07Å; L144-L195 HydrophobicContact CB-CD2 3.96Å; L144-L195 HydrophobicContact CD1-CD2 3.8Å; L144-L195 HydrophobicContact CG-CD2 4.41Å; I145-L195 HydrophobicContact CD1-CD1 3.86Å; I145-L195 HydrophobicContact CG1-CD1 3.82Å; I192-L195 PolarHBondContact O-N 2.8Å; L193-L195 PolarHBondContact O-N 2.9Å |
| 196 | E | 83.7 | Confident | 95 | Very high | 196 Ų | 196 | 40.3 Ų | 40.3 | 92% | 0.916 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -1.7 | -179.9 | -60.8 | -170.7 | 163.9 | 0 | 0 | 113 | G194 | G194-E196 PolarHBondContact O-N 3.04Š|
| 197 | G | 89.8 | Confident | 95.1 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -138.6 | -175 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G194 | G194-G197 CarbonylContact C-O 3.24Å; G194-G197 WeakPolarHBondContact CA-O 3.44Å; G194-G197 PolarHBondContact O-N 2.76Å |
| 198 | R | 93.9 | Very high | 95.1 | Very high | 59 Ų | 59 | 43.1 Ų | 43.1 | 22% | 0.223 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -106.8 | 9.4 | -178.9 | 68.6 | -179.2 | -60.5 | 177.1 | 8.4 | 113.9 | M191 V200 Y201 E202 E206 S255 | M191-R198 HydrophobicContact CE-CB 4.06Å; M191-R198 HydrophobicContact SD-CB 3.91Å; R198-V200 VanDerWaalsContact C-N 3.3Å; R198-V200 PolarHBondContact O-N 3.49Å; R198-Y201 PolarHBondContact O-N 3.45Å; R198-Y201 VanDerWaalsContact O-N 3.11Å; R198-E202 HydrophobicContact CG-CB 4.36Å; R198-E202 VanDerWaalsContact O-CB 3.31Å; R198-E202 WeakPolarHBondContact O-CB 3.33Å; R198-E202 PolarHBondContact O-N 2.87Å; R198-E206 IonicContact CZ-OE1 3.65Å; R198-E206 IonicContact CZ-OE2 2.83Å; R198-E206 IonicContact NE-OE2 3.97Å; R198-E206 IonicContact NH1-OE1 2.63Å; R198-E206 IonicContact NH2-OE1 3.42Å; R198-E206 PolarHBondContact NH2-OE1 3.41Å; R198-E206 IonicContact NH2-OE2 2.78Å; R198-E206 PolarHBondContact NH2-OE2 3.38Å; R198-S255 PolarHBondContact NH1-O 3.18Å; R198-S255 PolarHBondContact NH1-OG 3.43Å; R198-S255 VanDerWaalsContact NH1-OG 3.08Å; R198-S255 PolarHBondContact NH2-OG 2.9Å |
| 199 | S | 93.2 | Very high | 95.2 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.7 | -40.9 | -168.9 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | E202 E203 | S199-E202 PolarHBondContact O-N 3.32Å; S199-E203 WeakPolarHBondContact O-CB 3.33Å; S199-E203 WeakPolarHBondContact O-CG 3.44Å; S199-E203 PolarHBondContact O-N 2.95Å |
| 200 | V | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.8 | -46.9 | 178.4 | 179.4 | 0 | 0 | 0 | 0 | 111 | R148 L190 L193 R198 D204 | R148-V200 VanDerWaalsContact CD-CG2 3.48Å; R148-V200 HydrophobicContact CG-CG2 4.12Å; L190-V200 HydrophobicContact CB-CG1 4.41Å; L190-V200 HydrophobicContact CD2-CG1 3.81Å; L190-V200 WeakPolarHBondContact O-CB 3.31Å; L193-V200 HydrophobicContact CB-CB 4.34Å; L193-V200 HydrophobicContact CB-CG1 4Å; L193-V200 HydrophobicContact CB-CG2 4.32Å; R198-V200 VanDerWaalsContact C-N 3.3Å; R198-V200 PolarHBondContact O-N 3.49Å; V200-D204 WeakPolarHBondContact O-CB 3.33Å; V200-D204 PolarHBondContact O-N 3.09Å |
| 201 | Y | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 174.6 | 175.2 | -99.4 | 0 | 0 | 0 | 112.5 | C187 L190 M191 R198 F205 E206 D253 T256 | C187-Y201 HydrophobicContact CB-CD2 4.25Å; C187-Y201 HydrophobicContact CB-CE2 3.73Å; L190-Y201 HydrophobicContact CB-CD2 4.2Å; M191-Y201 HydrophobicContact CG-CD2 4.07Å; M191-Y201 HydrophobicContact CG-CG 3.93Å; M191-Y201 WeakPolarHBondContact SD-CB 3.24Å; M191-Y201 HydrophobicContact SD-CD1 3.65Å; M191-Y201 HydrophobicContact SD-CD2 4.23Å; M191-Y201 HydrophobicContact SD-CE1 4.45Å; M191-Y201 HydrophobicContact SD-CG 3.5Å; M191-Y201 VanDerWaalsContact SD-CG 3.5Å; R198-Y201 PolarHBondContact O-N 3.45Å; R198-Y201 VanDerWaalsContact O-N 3.11Å; Y201-F205 HydrophobicContact CD2-CD1 4.06Å; Y201-F205 AromaticContact CE2-CD1 3.45Å; Y201-F205 HydrophobicContact CE2-CD1 3.45Å; Y201-F205 VanDerWaalsContact CE2-CD1 3.45Å; Y201-F205 AromaticContact CE2-CE1 3.88Å; Y201-F205 HydrophobicContact CE2-CE1 3.88Å; Y201-F205 AromaticContact CZ-CD1 3.84Å; Y201-F205 PolarHBondContact O-N 3.06Å; Y201-F205 VanDerWaalsContact O-N 3.12Å; Y201-E206 HydrophobicContact CD1-CB 4.08Å; Y201-E206 HydrophobicContact CE1-CB 3.76Å; Y201-E206 HydrophobicContact CE1-CG 4.03Å; Y201-E206 PolarHBondContact O-N 3.29Å; Y201-D253 HydrophobicContact CE1-CB 4.21Å; Y201-T256 WeakPolarHBondContact CE1-OG1 3.36Å; Y201-T256 PolarHBondContact OH-OG1 3.02Å |
| 202 | E | 96.6 | Very high | 95.3 | Very high | 91 Ų | 91 | 45.7 Ų | 45.7 | 43% | 0.425 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -65.9 | -52.8 | -177.3 | -174.8 | 175.1 | 172.3 | 0 | 0 | 111.9 | R198 S199 E206 A207 | R198-E202 HydrophobicContact CG-CB 4.36Å; R198-E202 VanDerWaalsContact O-CB 3.31Å; R198-E202 WeakPolarHBondContact O-CB 3.33Å; R198-E202 PolarHBondContact O-N 2.87Å; S199-E202 PolarHBondContact O-N 3.32Å; E202-E206 PolarHBondContact O-N 3.3Å; E202-A207 WeakPolarHBondContact O-CB 3.28Å; E202-A207 PolarHBondContact O-N 3.07Å |
| 203 | E | 96 | Very high | 95.4 | Very high | 106 Ų | 106 | 42.5 Ų | 42.5 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -72 | -43.5 | -177.5 | -66.9 | 168 | -173.1 | 0 | 0 | 112.3 | R153 S199 | R153-E203 IonicContact CZ-OE2 2.8Å; R153-E203 IonicContact NH1-OE2 3.52Å; R153-E203 IonicContact NH2-OE2 2.79Å; R153-E203 PolarHBondContact NH2-OE2 3.25Å; S199-E203 WeakPolarHBondContact O-CB 3.33Å; S199-E203 WeakPolarHBondContact O-CG 3.44Å; S199-E203 PolarHBondContact O-N 2.95Å |
| 204 | D | 95.4 | Very high | 95.5 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 5% | 0.053 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -86.7 | -21.9 | -169.4 | -60.8 | -35.2 | 0 | 0 | 0 | 112.3 | R153 R158 R162 V200 | R153-D204 IonicContact CZ-OD2 2.65Å; R153-D204 IonicContact NE-OD2 2.85Å; R153-D204 PolarHBondContact NE-OD2 3.1Å; R153-D204 IonicContact NH2-OD1 3.74Å; R153-D204 IonicContact NH2-OD2 3.33Å; R153-D204 PolarHBondContact NH2-OD2 2.88Å; R158-D204 WeakPolarHBondContact CD-OD1 3.42Å; R158-D204 HydrophobicContact CG-CB 4.38Å; R162-D204 PolarHBondContact NE-O 3.47Å; V200-D204 WeakPolarHBondContact O-CB 3.33Å; V200-D204 PolarHBondContact O-N 3.09Å |
| 205 | F | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -135.3 | -56.5 | -178 | 171.1 | -102.3 | 0 | 0 | 0 | 115.4 | L165 L166 I169 L190 Y201 A207 P208 F209 L252 | L165-F205 HydrophobicContact CB-CD2 3.9Å; L165-F205 HydrophobicContact CB-CE2 3.65Å; L165-F205 HydrophobicContact CD1-CD2 3.79Å; L165-F205 HydrophobicContact CD1-CE2 4.15Å; L165-F205 HydrophobicContact CD1-CG 4.37Å; L166-F205 HydrophobicContact CD2-CE2 4.21Å; I169-F205 HydrophobicContact CD1-CE2 4.03Å; I169-F205 HydrophobicContact CD1-CZ 3.71Å; L190-F205 HydrophobicContact CD1-CB 3.77Å; Y201-F205 HydrophobicContact CD2-CD1 4.06Å; Y201-F205 AromaticContact CE2-CD1 3.45Å; Y201-F205 HydrophobicContact CE2-CD1 3.45Å; Y201-F205 VanDerWaalsContact CE2-CD1 3.45Å; Y201-F205 AromaticContact CE2-CE1 3.88Å; Y201-F205 HydrophobicContact CE2-CE1 3.88Å; Y201-F205 AromaticContact CZ-CD1 3.84Å; Y201-F205 PolarHBondContact O-N 3.06Å; Y201-F205 VanDerWaalsContact O-N 3.12Å; F205-A207 PolarHBondContact O-N 3.02Å; F205-P208 VanDerWaalsContact O-CD 3.3Å; F205-P208 WeakPolarHBondContact O-CD 3.47Å; F205-F209 HydrophobicContact CE1-CB 4.27Å; F205-F209 HydrophobicContact CE1-CG 4.44Å; F205-F209 HydrophobicContact CE2-CB 4.14Å; F205-F209 HydrophobicContact CZ-CB 3.97Å; F205-F209 HydrophobicContact CZ-CD2 4.42Å; F205-F209 HydrophobicContact CZ-CG 4.1Å; F205-F209 VanDerWaalsContact O-CB 3.31Å; F205-F209 WeakPolarHBondContact O-CB 3.48Å; F205-F209 PolarHBondContact O-N 2.93Å; F205-L252 HydrophobicContact CE1-CD2 3.8Å; F205-L252 HydrophobicContact CZ-CD2 3.8Å |
| 206 | E | 97.9 | Very high | 96 | Very high | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -64.3 | -46.1 | -167.1 | -170.3 | -172 | -156.5 | 0 | 0 | 112.9 | R198 Y201 E202 F209 L210 T256 | R198-E206 IonicContact CZ-OE1 3.65Å; R198-E206 IonicContact CZ-OE2 2.83Å; R198-E206 IonicContact NE-OE2 3.97Å; R198-E206 IonicContact NH1-OE1 2.63Å; R198-E206 IonicContact NH2-OE1 3.42Å; R198-E206 PolarHBondContact NH2-OE1 3.41Å; R198-E206 IonicContact NH2-OE2 2.78Å; R198-E206 PolarHBondContact NH2-OE2 3.38Å; Y201-E206 HydrophobicContact CD1-CB 4.08Å; Y201-E206 HydrophobicContact CE1-CB 3.76Å; Y201-E206 HydrophobicContact CE1-CG 4.03Å; Y201-E206 PolarHBondContact O-N 3.29Å; E202-E206 PolarHBondContact O-N 3.3Å; E206-F209 CarbonylContact O-C 3.49Å; E206-F209 WeakPolarHBondContact O-CA 3.39Å; E206-F209 WeakPolarHBondContact O-CB 3.47Å; E206-F209 PolarHBondContact O-N 2.68Å; E206-F209 VanDerWaalsContact O-N 3.11Å; E206-L210 HydrophobicContact CG-CD1 4.02Å; E206-L210 HydrophobicContact CG-CG 4.21Å; E206-L210 VanDerWaalsContact O-CG 3.29Å; E206-L210 WeakPolarHBondContact O-CG 3.42Å; E206-L210 PolarHBondContact O-N 2.68Å; E206-T256 HydrophobicContact CG-CG2 4.01Å; E206-T256 WeakPolarHBondContact OE1-CA 3.37Å; E206-T256 PolarHBondContact OE1-OG1 3.41Å |
| 207 | A | 97.9 | Very high | 96.7 | Very high | 50 Ų | 50 | 37.7 Ų | 37.7 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.2 | -49.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E202 F205 F209 L210 E211 | E202-A207 WeakPolarHBondContact O-CB 3.28Å; E202-A207 PolarHBondContact O-N 3.07Å; F205-A207 PolarHBondContact O-N 3.02Å; A207-F209 VanDerWaalsContact C-N 3.3Å; A207-F209 PolarHBondContact O-N 3.38Å; A207-L210 PolarHBondContact O-N 3.22Å; A207-E211 PolarHBondContact O-N 2.71Å |
| 208 | P | 97.8 | Very high | 97.1 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.9 | -37.7 | 169.5 | -26 | 31.9 | 0 | 0 | 0 | 114.4 | R162 L166 F205 E211 M212 | R162-P208 HydrophobicContact CG-CB 4.15Å; R162-P208 HydrophobicContact CG-CG 4.32Å; L166-P208 HydrophobicContact CD1-CB 4.07Å; F205-P208 VanDerWaalsContact O-CD 3.3Å; F205-P208 WeakPolarHBondContact O-CD 3.47Å; P208-E211 PolarHBondContact O-N 3.48Å; P208-M212 WeakPolarHBondContact O-CB 3.41Å; P208-M212 PolarHBondContact O-N 3.31Å |
| 209 | F | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 176.8 | 161.4 | -107.6 | 0 | 0 | 0 | 112 | L166 I169 F205 E206 A207 E211 M212 S213 L252 T256 I260 | L166-F209 VanDerWaalsContact CD2-CA 3.44Å; L166-F209 HydrophobicContact CD2-CB 3.73Å; L166-F209 HydrophobicContact CD2-CD2 4.4Å; I169-F209 HydrophobicContact CD1-CD2 3.87Å; I169-F209 HydrophobicContact CD1-CE2 4.03Å; I169-F209 HydrophobicContact CG2-CD2 4.46Å; I169-F209 HydrophobicContact CG2-CE2 3.93Å; F205-F209 HydrophobicContact CE1-CB 4.27Å; F205-F209 HydrophobicContact CE1-CG 4.44Å; F205-F209 HydrophobicContact CE2-CB 4.14Å; F205-F209 HydrophobicContact CZ-CB 3.97Å; F205-F209 HydrophobicContact CZ-CD2 4.42Å; F205-F209 HydrophobicContact CZ-CG 4.1Å; F205-F209 VanDerWaalsContact O-CB 3.31Å; F205-F209 WeakPolarHBondContact O-CB 3.48Å; F205-F209 PolarHBondContact O-N 2.93Å; E206-F209 CarbonylContact O-C 3.49Å; E206-F209 WeakPolarHBondContact O-CA 3.39Å; E206-F209 WeakPolarHBondContact O-CB 3.47Å; E206-F209 PolarHBondContact O-N 2.68Å; E206-F209 VanDerWaalsContact O-N 3.11Å; A207-F209 VanDerWaalsContact C-N 3.3Å; A207-F209 PolarHBondContact O-N 3.38Å; F209-E211 VanDerWaalsContact C-N 3.34Å; F209-M212 HydrophobicContact CD2-CE 4.22Å; F209-S213 VanDerWaalsContact CE2-OG 3.28Å; F209-S213 WeakPolarHBondContact CE2-OG 3.44Å; F209-S213 WeakPolarHBondContact O-CB 3.27Å; F209-S213 PolarHBondContact O-N 2.93Å; F209-S213 PolarHBondContact O-OG 3.14Å; F209-L252 HydrophobicContact CD1-CD1 4.49Å; F209-L252 HydrophobicContact CE1-CD1 3.85Å; F209-L252 HydrophobicContact CZ-CD1 3.91Å; F209-T256 HydrophobicContact CD1-CG2 4.17Å; F209-T256 HydrophobicContact CE1-CG2 3.84Å; F209-I260 HydrophobicContact CE1-CB 4.19Å; F209-I260 HydrophobicContact CE1-CD1 3.82Å; F209-I260 HydrophobicContact CE1-CG1 4.02Å; F209-I260 HydrophobicContact CZ-CD1 3.68Å; F209-I260 HydrophobicContact CZ-CG1 3.91Å |
| 210 | L | 98.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 18% | 0.178 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -37.3 | 177.3 | -67 | 174.2 | 0 | 0 | 0 | 111.4 | E206 A207 S213 A214 P259 I260 V263 | E206-L210 HydrophobicContact CG-CD1 4.02Å; E206-L210 HydrophobicContact CG-CG 4.21Å; E206-L210 VanDerWaalsContact O-CG 3.29Å; E206-L210 WeakPolarHBondContact O-CG 3.42Å; E206-L210 PolarHBondContact O-N 2.68Å; A207-L210 PolarHBondContact O-N 3.22Å; L210-S213 PolarHBondContact O-N 3.35Å; L210-A214 WeakPolarHBondContact O-CB 3.22Å; L210-A214 PolarHBondContact O-N 3.27Å; L210-P259 HydrophobicContact CD1-CB 3.69Å; L210-P259 HydrophobicContact CD2-CB 3.95Å; L210-P259 HydrophobicContact CG-CB 4.49Å; L210-I260 HydrophobicContact CD2-CB 3.99Å; L210-I260 HydrophobicContact CD2-CD1 4.03Å; L210-V263 HydrophobicContact CB-CG2 4.4Å; L210-V263 HydrophobicContact CD2-CG2 4.15Å |
| 211 | E | 98.1 | Very high | 97.3 | Very high | 128 Ų | 128 | 41.7 Ų | 41.7 | 60% | 0.598 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -64.7 | -53.5 | 175.2 | -173.6 | 169.7 | -154.7 | 0 | 0 | 111.6 | A207 P208 F209 S213 A214 E215 | A207-E211 PolarHBondContact O-N 2.71Å; P208-E211 PolarHBondContact O-N 3.48Å; F209-E211 VanDerWaalsContact C-N 3.34Å; E211-S213 PolarHBondContact O-N 3.02Å; E211-A214 WeakPolarHBondContact O-CB 3.27Å; E211-A214 PolarHBondContact O-N 3.35Å; E211-E215 PolarHBondContact O-N 3.45Å |
| 212 | M | 97.5 | Very high | 97.2 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 19% | 0.192 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.2 | -38.2 | 174.7 | -177.7 | -160.6 | 67.7 | 0 | 0 | 111.6 | L166 I169 A170 P208 F209 E215 F216 | L166-M212 HydrophobicContact CB-CE 4.43Å; L166-M212 HydrophobicContact CB-SD 3.75Å; L166-M212 HydrophobicContact CD2-CE 3.99Å; L166-M212 HydrophobicContact CD2-SD 4.07Å; L166-M212 HydrophobicContact CG-SD 4.34Å; I169-M212 HydrophobicContact CB-CE 4.49Å; I169-M212 HydrophobicContact CG2-CE 4.32Å; A170-M212 HydrophobicContact CB-SD 4.35Å; P208-M212 WeakPolarHBondContact O-CB 3.41Å; P208-M212 PolarHBondContact O-N 3.31Å; F209-M212 HydrophobicContact CD2-CE 4.22Å; M212-E215 PolarHBondContact O-N 3.43Å; M212-F216 WeakPolarHBondContact O-CB 3.29Å; M212-F216 PolarHBondContact O-N 2.83Å |
| 213 | S | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 177.2 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | R173 F209 L210 E211 F216 F217 | R173-S213 PolarHBondContact NH1-OG 2.73Å; R173-S213 PolarHBondContact NH2-OG 3.28Å; F209-S213 VanDerWaalsContact CE2-OG 3.28Å; F209-S213 WeakPolarHBondContact CE2-OG 3.44Å; F209-S213 WeakPolarHBondContact O-CB 3.27Å; F209-S213 PolarHBondContact O-N 2.93Å; F209-S213 PolarHBondContact O-OG 3.14Å; L210-S213 PolarHBondContact O-N 3.35Å; E211-S213 PolarHBondContact O-N 3.02Å; S213-F216 PolarHBondContact O-N 3.31Å; S213-F217 WeakPolarHBondContact O-CD2 3.47Å; S213-F217 PolarHBondContact O-N 2.72Å |
| 214 | A | 98.4 | Very high | 97 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L210 E211 F217 Q218 V263 E267 | L210-A214 WeakPolarHBondContact O-CB 3.22Å; L210-A214 PolarHBondContact O-N 3.27Å; E211-A214 WeakPolarHBondContact O-CB 3.27Å; E211-A214 PolarHBondContact O-N 3.35Å; A214-F217 PolarHBondContact O-N 2.99Å; A214-Q218 VanDerWaalsContact O-CB 3.28Å; A214-Q218 WeakPolarHBondContact O-CB 3.48Å; A214-Q218 PolarHBondContact O-N 3.48Å; A214-V263 HydrophobicContact CB-CG1 3.8Å; A214-E267 HydrophobicContact CB-CG 4.22Å |
| 215 | E | 97.6 | Very high | 97 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 49% | 0.486 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.3 | -67 | -178.1 | 170.1 | 0 | 0 | 112.1 | E211 M212 Q218 M219 | E211-E215 PolarHBondContact O-N 3.45Å; M212-E215 PolarHBondContact O-N 3.43Å; E215-Q218 PolarHBondContact O-N 3.03Å; E215-M219 WeakPolarHBondContact O-CE 3.26Å; E215-M219 PolarHBondContact O-N 3.2Å |
| 216 | F | 97 | Very high | 96.7 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 18% | 0.184 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -51.5 | 176.7 | 176.1 | -92.2 | 0 | 0 | 0 | 111.7 | R173 M212 S213 Q218 M219 E220 | R173-F216 HydrophobicContact CB-CE1 4.43Å; R173-F216 HydrophobicContact CB-CE2 4.21Å; R173-F216 HydrophobicContact CB-CZ 3.93Å; R173-F216 HydrophobicContact CG-CZ 4.49Å; M212-F216 WeakPolarHBondContact O-CB 3.29Å; M212-F216 PolarHBondContact O-N 2.83Å; S213-F216 PolarHBondContact O-N 3.31Å; F216-Q218 VanDerWaalsContact C-N 3.33Å; F216-Q218 PolarHBondContact O-N 3.29Å; F216-M219 PolarHBondContact O-N 3.02Å; F216-E220 WeakPolarHBondContact O-CB 3.43Å; F216-E220 PolarHBondContact O-N 2.91Å |
| 217 | F | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.5 | -28.1 | -178.7 | -70.3 | -53.5 | 0 | 0 | 0 | 113 | S213 A214 S221 R240 E244 V263 V264 E267 L268 | S213-F217 WeakPolarHBondContact O-CD2 3.47Å; S213-F217 PolarHBondContact O-N 2.72Å; A214-F217 PolarHBondContact O-N 2.99Å; F217-S221 WeakPolarHBondContact O-CB 3.1Å; F217-S221 PolarHBondContact O-N 3.31Å; F217-S221 PolarHBondContact O-OG 3.09Å; F217-R240 HydrophobicContact CE1-CB 4.21Å; F217-R240 HydrophobicContact CE1-CG 4.16Å; F217-E244 HydrophobicContact CE2-CG 4.22Å; F217-E244 HydrophobicContact CZ-CG 3.81Å; F217-E244 WeakPolarHBondContact CZ-OE1 3.46Å; F217-V263 HydrophobicContact CD2-CG1 4.48Å; F217-V264 HydrophobicContact CD2-CG2 3.99Å; F217-V264 HydrophobicContact CE2-CG2 3.47Å; F217-V264 VanDerWaalsContact CE2-CG2 3.47Å; F217-V264 HydrophobicContact CZ-CG2 3.83Å; F217-E267 HydrophobicContact CB-CB 3.73Å; F217-E267 HydrophobicContact CB-CG 4.33Å; F217-L268 HydrophobicContact CB-CD2 3.8Å; F217-L268 HydrophobicContact CB-CG 4.14Å; F217-L268 HydrophobicContact CD1-CD1 3.88Å; F217-L268 HydrophobicContact CD1-CD2 4.08Å; F217-L268 HydrophobicContact CD1-CG 4.17Å; F217-L268 HydrophobicContact CE1-CD1 4.34Å; F217-L268 HydrophobicContact CG-CD1 4.46Å; F217-L268 HydrophobicContact CG-CD2 4.3Å; F217-L268 HydrophobicContact CG-CG 4.32Å; F217-L268 WeakPolarHBondContact O-CD2 3.43Å |
| 218 | Q | 97.4 | Very high | 96.3 | Very high | 85 Ų | 85 | 56.6 Ų | 56.6 | 40% | 0.397 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 171.2 | -175.1 | -179.3 | 22.1 | 0 | 0 | 111.2 | A214 E215 F216 S221 Q222 | A214-Q218 VanDerWaalsContact O-CB 3.28Å; A214-Q218 WeakPolarHBondContact O-CB 3.48Å; A214-Q218 PolarHBondContact O-N 3.48Å; E215-Q218 PolarHBondContact O-N 3.03Å; F216-Q218 VanDerWaalsContact C-N 3.33Å; F216-Q218 PolarHBondContact O-N 3.29Å; Q218-S221 PolarHBondContact O-OG 2.59Å; Q218-Q222 WeakPolarHBondContact O-CG 3.49Å; Q218-Q222 PolarHBondContact O-N 3.38Å |
| 219 | M | 96.1 | Very high | 96.2 | Very high | 122 Ų | 122 | 57.8 Ų | 57.8 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.6 | -42.6 | 176.9 | -70.9 | -176.1 | -78.2 | 0 | 0 | 111.9 | E215 F216 K223 | E215-M219 WeakPolarHBondContact O-CE 3.26Å; E215-M219 PolarHBondContact O-N 3.2Å; F216-M219 PolarHBondContact O-N 3.02Å; M219-K223 PolarHBondContact O-N 3.03Å |
| 220 | E | 95.5 | Very high | 96 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | -179.7 | -173.6 | 170.4 | -128.5 | 0 | 0 | 111.7 | F216 Q222 K223 F224 R240 | F216-E220 WeakPolarHBondContact O-CB 3.43Å; F216-E220 PolarHBondContact O-N 2.91Å; E220-Q222 PolarHBondContact O-N 3.03Å; E220-K223 PolarHBondContact O-N 3.15Å; E220-F224 HydrophobicContact CG-CD2 3.68Å; E220-F224 HydrophobicContact CG-CE2 3.96Å; E220-F224 WeakPolarHBondContact O-CB 3.49Å; E220-F224 PolarHBondContact O-N 3.37Å; E220-R240 IonicContact OE1-CZ 2.68Å; E220-R240 IonicContact OE1-NE 2.95Å; E220-R240 PolarHBondContact OE1-NE 3.42Å; E220-R240 VanDerWaalsContact OE1-NE 3.14Å; E220-R240 IonicContact OE1-NH2 3.62Å; E220-R240 PolarHBondContact OE1-NH2 3.04Å; E220-R240 IonicContact OE2-CZ 2.73Å; E220-R240 IonicContact OE2-NE 3.82Å; E220-R240 PolarHBondContact OE2-NE 3.45Å; E220-R240 IonicContact OE2-NH2 3.61Å |
| 221 | S | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 179.8 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | F217 Q218 K223 F224 L225 Y233 H272 | F217-S221 WeakPolarHBondContact O-CB 3.1Å; F217-S221 PolarHBondContact O-N 3.31Å; F217-S221 PolarHBondContact O-OG 3.09Å; Q218-S221 PolarHBondContact O-OG 2.59Å; S221-K223 PolarHBondContact O-N 3.11Å; S221-F224 PolarHBondContact O-N 3.48Å; S221-L225 VanDerWaalsContact O-CB 3.31Å; S221-L225 WeakPolarHBondContact O-CB 3.46Å; S221-L225 VanDerWaalsContact O-CG 3.24Å; S221-L225 WeakPolarHBondContact O-CG 3.45Å; S221-L225 PolarHBondContact O-N 3.16Å; S221-Y233 WeakPolarHBondContact CB-OH 3.47Å; S221-H272 VanDerWaalsContact CB-NE2 3.26Å; S221-H272 WeakPolarHBondContact CB-NE2 3.2Å; S221-H272 PolarHBondContact OG-NE2 3.06Å |
| 222 | Q | 94.7 | Very high | 95.6 | Very high | 118 Ų | 118 | 54.2 Ų | 54.2 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60 | -46.3 | 179.5 | -70.4 | 177.6 | 3.7 | 0 | 0 | 111.7 | Q218 E220 A226 | Q218-Q222 WeakPolarHBondContact O-CG 3.49Å; Q218-Q222 PolarHBondContact O-N 3.38Å; E220-Q222 PolarHBondContact O-N 3.03Å; Q222-A226 PolarHBondContact O-N 3.08Å |
| 223 | K | 95 | Very high | 95.5 | Very high | 120 Ų | 120 | 52.5 Ų | 52.5 | 52% | 0.522 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -51.5 | 178.3 | -176.4 | -179.3 | 176.6 | -178.6 | 0 | 111.5 | M219 E220 S221 L225 A226 E227 | M219-K223 PolarHBondContact O-N 3.03Å; E220-K223 PolarHBondContact O-N 3.15Å; S221-K223 PolarHBondContact O-N 3.11Å; K223-L225 PolarHBondContact O-N 2.89Å; K223-A226 PolarHBondContact O-N 3.21Å; K223-E227 WeakPolarHBondContact CE-OE1 3.33Å; K223-E227 WeakPolarHBondContact CE-OE2 3.4Å; K223-E227 WeakPolarHBondContact CG-OE1 3.49Å; K223-E227 WeakPolarHBondContact O-CG 3.49Å; K223-E227 PolarHBondContact O-N 3Å |
| 224 | F | 95 | Very high | 95.4 | Very high | 51 Ų | 51 | 52.6 Ų | 52.6 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -37.6 | -175.7 | -95.2 | -97.1 | 0 | 0 | 0 | 112.6 | E220 S221 A226 E227 N228 Y233 K236 | E220-F224 HydrophobicContact CG-CD2 3.68Å; E220-F224 HydrophobicContact CG-CE2 3.96Å; E220-F224 WeakPolarHBondContact O-CB 3.49Å; E220-F224 PolarHBondContact O-N 3.37Å; S221-F224 PolarHBondContact O-N 3.48Å; F224-A226 VanDerWaalsContact C-N 3.3Å; F224-A226 PolarHBondContact O-N 3.1Å; F224-E227 PolarHBondContact O-N 3.19Å; F224-N228 VanDerWaalsContact O-CB 3.29Å; F224-N228 WeakPolarHBondContact O-CB 3.18Å; F224-N228 PolarHBondContact O-N 2.85Å; F224-N228 PolarHBondContact O-ND2 3.43Å; F224-Y233 HydrophobicContact CB-CD2 3.88Å; F224-Y233 HydrophobicContact CB-CE2 4.06Å; F224-K236 HydrophobicContact CD1-CB 4.46Å; F224-K236 HydrophobicContact CD1-CG 4.01Å; F224-K236 HydrophobicContact CE1-CB 4.46Å; F224-K236 HydrophobicContact CE1-CD 4.13Å; F224-K236 HydrophobicContact CE1-CG 3.82Å; F224-K236 HydrophobicContact CZ-CD 4.23Å; F224-K236 HydrophobicContact CZ-CG 4.22Å |
| 225 | L | 94.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.3 | -32.5 | 176.3 | -74 | 168.8 | 0 | 0 | 0 | 112.7 | S221 K223 Y233 H272 I276 M279 | S221-L225 VanDerWaalsContact O-CB 3.31Å; S221-L225 WeakPolarHBondContact O-CB 3.46Å; S221-L225 VanDerWaalsContact O-CG 3.24Å; S221-L225 WeakPolarHBondContact O-CG 3.45Å; S221-L225 PolarHBondContact O-N 3.16Å; K223-L225 PolarHBondContact O-N 2.89Å; L225-Y233 HydrophobicContact CD1-CE2 4.24Å; L225-Y233 HydrophobicContact CD2-CD1 3.85Å; L225-Y233 HydrophobicContact CD2-CD2 3.58Å; L225-Y233 HydrophobicContact CD2-CE1 3.94Å; L225-Y233 HydrophobicContact CD2-CE2 3.7Å; L225-Y233 HydrophobicContact CD2-CG 3.67Å; L225-Y233 HydrophobicContact CG-CD2 3.75Å; L225-Y233 HydrophobicContact CG-CE1 4.44Å; L225-Y233 HydrophobicContact CG-CE2 3.49Å; L225-Y233 VanDerWaalsContact CG-CE2 3.49Å; L225-Y233 HydrophobicContact CG-CG 4.35Å; L225-H272 HydrophobicContact CD1-CB 3.8Å; L225-H272 VanDerWaalsContact CD1-CG 3.48Å; L225-I276 HydrophobicContact CD2-CG1 3.85Å; L225-M279 HydrophobicContact CB-CE 4.46Å; L225-M279 HydrophobicContact CD2-CE 3.58Å |
| 226 | A | 92.6 | Very high | 95.1 | Very high | 88 Ų | 88 | 55.6 Ų | 55.6 | 73% | 0.727 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -74.2 | -31.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q222 K223 F224 | Q222-A226 PolarHBondContact O-N 3.08Å; K223-A226 PolarHBondContact O-N 3.21Å; F224-A226 VanDerWaalsContact C-N 3.3Å; F224-A226 PolarHBondContact O-N 3.1Å |
| 227 | E | 93 | Very high | 95.1 | Very high | 126 Ų | 126 | 53.7 Ų | 53.7 | 59% | 0.589 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -99.7 | -16.3 | -171.3 | -67.1 | 172.8 | -178 | 0 | 0 | 113.8 | K223 F224 | K223-E227 WeakPolarHBondContact CE-OE1 3.33Å; K223-E227 WeakPolarHBondContact CE-OE2 3.4Å; K223-E227 WeakPolarHBondContact CG-OE1 3.49Å; K223-E227 WeakPolarHBondContact O-CG 3.49Å; K223-E227 PolarHBondContact O-N 3Å; F224-E227 PolarHBondContact O-N 3.19Å |
| 228 | N | 94.3 | Very high | 95 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -132.6 | 160.6 | -167.7 | -59.9 | -90.4 | 0 | 0 | 0 | 113.5 | F224 V232 | F224-N228 VanDerWaalsContact O-CB 3.29Å; F224-N228 WeakPolarHBondContact O-CB 3.18Å; F224-N228 PolarHBondContact O-N 2.85Å; F224-N228 PolarHBondContact O-ND2 3.43Å; N228-V232 HydrophobicContact CB-CB 4.21Å; N228-V232 HydrophobicContact CB-CG1 4.04Å |
| 229 | S | 94.2 | Very high | 94.9 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | trans | -74.4 | 159.8 | 173.3 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | S231 V232 Y233 | S229-S231 VanDerWaalsContact C-N 3.31Å; S229-S231 PolarHBondContact O-N 2.92Å; S229-V232 PolarHBondContact O-N 3.4Å; S229-V232 VanDerWaalsContact O-N 3.14Å; S229-V232 WeakPolarHBondContact OG-CG2 3.48Å; S229-Y233 PolarHBondContact O-N 3.4Å | ||
| 230 | A | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.3 | -42.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | V232 Y233 I234 I276 M279 S282 M287 M299 | A230-V232 PolarHBondContact O-N 3.2Å; A230-Y233 PolarHBondContact O-N 3.07Å; A230-I234 WeakPolarHBondContact O-CB 3.31Å; A230-I234 WeakPolarHBondContact O-CD1 3.38Å; A230-I234 WeakPolarHBondContact O-CG1 3.49Å; A230-I234 PolarHBondContact O-N 2.97Å; A230-I276 HydrophobicContact CB-CG2 4.32Å; A230-M279 HydrophobicContact CB-CB 4.38Å; A230-M279 HydrophobicContact CB-SD 3.91Å; A230-M279 PolarHBondContact N-SD 3.41Å; A230-S282 WeakPolarHBondContact CB-O 3.32Å; A230-S282 PolarHBondContact N-OG 3.33Å; A230-S282 VanDerWaalsContact N-OG 3.09Å; A230-M287 HydrophobicContact CB-CE 4.14Å; A230-M299 HydrophobicContact CB-CE 4.44Å |
| 231 | S | 92.7 | Very high | 95 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 12% | 0.119 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 179.6 | -49 | 0 | 0 | 0 | 0 | 112.5 | S229 K235 M287 D295 | S229-S231 VanDerWaalsContact C-N 3.31Å; S229-S231 PolarHBondContact O-N 2.92Å; S231-K235 WeakPolarHBondContact O-CG 3.34Å; S231-K235 PolarHBondContact O-N 3.02Å; S231-M287 WeakPolarHBondContact OG-CE 3.5Å; S231-D295 PolarHBondContact OG-OD2 3.48Å |
| 232 | V | 94.9 | Very high | 95 | Very high | 69 Ų | 69 | 53.1 Ų | 53.1 | 42% | 0.418 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69 | -43.1 | 177.4 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | N228 S229 A230 I234 K235 K236 | N228-V232 HydrophobicContact CB-CB 4.21Å; N228-V232 HydrophobicContact CB-CG1 4.04Å; S229-V232 PolarHBondContact O-N 3.4Å; S229-V232 VanDerWaalsContact O-N 3.14Å; S229-V232 WeakPolarHBondContact OG-CG2 3.48Å; A230-V232 PolarHBondContact O-N 3.2Å; V232-I234 PolarHBondContact O-N 3.28Å; V232-K235 PolarHBondContact O-N 3.37Å; V232-K236 PolarHBondContact O-N 3.36Å |
| 233 | Y | 96.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.8 | -49.6 | 175.2 | -176.6 | -94 | 0 | 0 | 0 | 111.7 | S221 F224 L225 S229 A230 K235 K236 V237 L268 I276 | S221-Y233 WeakPolarHBondContact CB-OH 3.47Å; F224-Y233 HydrophobicContact CB-CD2 3.88Å; F224-Y233 HydrophobicContact CB-CE2 4.06Å; L225-Y233 HydrophobicContact CD1-CE2 4.24Å; L225-Y233 HydrophobicContact CD2-CD1 3.85Å; L225-Y233 HydrophobicContact CD2-CD2 3.58Å; L225-Y233 HydrophobicContact CD2-CE1 3.94Å; L225-Y233 HydrophobicContact CD2-CE2 3.7Å; L225-Y233 HydrophobicContact CD2-CG 3.67Å; L225-Y233 HydrophobicContact CG-CD2 3.75Å; L225-Y233 HydrophobicContact CG-CE1 4.44Å; L225-Y233 HydrophobicContact CG-CE2 3.49Å; L225-Y233 VanDerWaalsContact CG-CE2 3.49Å; L225-Y233 HydrophobicContact CG-CG 4.35Å; S229-Y233 PolarHBondContact O-N 3.4Å; A230-Y233 PolarHBondContact O-N 3.07Å; Y233-K235 VanDerWaalsContact C-N 3.33Å; Y233-K235 PolarHBondContact O-N 3.06Å; Y233-K236 WeakPolarHBondContact O-CA 3.3Å; Y233-K236 WeakPolarHBondContact O-CB 3.44Å; Y233-K236 PolarHBondContact O-N 3.44Å; Y233-V237 HydrophobicContact CD1-CG2 3.88Å; Y233-V237 HydrophobicContact CE1-CG2 3.43Å; Y233-V237 VanDerWaalsContact CE1-CG2 3.43Å; Y233-V237 HydrophobicContact CE2-CG2 4.42Å; Y233-V237 WeakPolarHBondContact O-CG2 3.26Å; Y233-V237 PolarHBondContact O-N 3.4Å; Y233-L268 WeakPolarHBondContact CE1-O 3.26Å; Y233-L268 WeakPolarHBondContact OH-CA 3.34Å; Y233-L268 PolarHBondContact OH-O 3.02Å; Y233-I276 HydrophobicContact CD1-CD1 3.9Å; Y233-I276 HydrophobicContact CD1-CG1 4.05Å; Y233-I276 HydrophobicContact CE1-CD1 3.51Å; Y233-I276 HydrophobicContact CE1-CG1 4.03Å |
| 234 | I | 95.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.7 | -46.3 | 179.4 | -72.4 | 161.3 | 0 | 0 | 0 | 111.5 | A230 V232 K236 V237 E238 I276 M287 C298 M299 L302 | A230-I234 WeakPolarHBondContact O-CB 3.31Å; A230-I234 WeakPolarHBondContact O-CD1 3.38Å; A230-I234 WeakPolarHBondContact O-CG1 3.49Å; A230-I234 PolarHBondContact O-N 2.97Å; V232-I234 PolarHBondContact O-N 3.28Å; I234-K236 VanDerWaalsContact C-N 3.32Å; I234-K236 PolarHBondContact O-N 3.49Å; I234-V237 PolarHBondContact O-N 2.93Å; I234-E238 PolarHBondContact O-N 3.49Å; I234-I276 HydrophobicContact CD1-CG2 4.35Å; I234-I276 HydrophobicContact CG1-CG2 4.39Å; I234-M287 HydrophobicContact CD1-CE 4.48Å; I234-C298 HydrophobicContact CG2-CB 3.92Å; I234-M299 HydrophobicContact CD1-CB 3.77Å; I234-M299 HydrophobicContact CD1-CE 3.82Å; I234-M299 HydrophobicContact CD1-CG 4.01Å; I234-L302 HydrophobicContact CB-CD2 4.18Å; I234-L302 HydrophobicContact CG1-CD2 3.79Å; I234-L302 HydrophobicContact CG2-CB 4.29Å; I234-L302 HydrophobicContact CG2-CD2 4.02Å |
| 235 | K | 94.8 | Very high | 95.3 | Very high | 124 Ų | 124 | 44.5 Ų | 44.5 | 54% | 0.539 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.1 | -38.6 | 177 | -71.4 | 178.8 | -179.1 | -179.4 | 0 | 112.1 | S231 V232 Y233 E238 A239 | S231-K235 WeakPolarHBondContact O-CG 3.34Å; S231-K235 PolarHBondContact O-N 3.02Å; V232-K235 PolarHBondContact O-N 3.37Å; Y233-K235 VanDerWaalsContact C-N 3.33Å; Y233-K235 PolarHBondContact O-N 3.06Å; K235-E238 PolarHBondContact O-N 2.99Å; K235-A239 PolarHBondContact O-N 2.87Å |
| 236 | K | 95.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 48.4 Ų | 48.4 | 24% | 0.239 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 176.4 | -177 | 60 | 177.2 | 171.3 | 0 | 111.6 | F224 V232 Y233 I234 A239 R240 | F224-K236 HydrophobicContact CD1-CB 4.46Å; F224-K236 HydrophobicContact CD1-CG 4.01Å; F224-K236 HydrophobicContact CE1-CB 4.46Å; F224-K236 HydrophobicContact CE1-CD 4.13Å; F224-K236 HydrophobicContact CE1-CG 3.82Å; F224-K236 HydrophobicContact CZ-CD 4.23Å; F224-K236 HydrophobicContact CZ-CG 4.22Å; V232-K236 PolarHBondContact O-N 3.36Å; Y233-K236 WeakPolarHBondContact O-CA 3.3Å; Y233-K236 WeakPolarHBondContact O-CB 3.44Å; Y233-K236 PolarHBondContact O-N 3.44Å; I234-K236 VanDerWaalsContact C-N 3.32Å; I234-K236 PolarHBondContact O-N 3.49Å; K236-A239 PolarHBondContact O-N 2.73Å; K236-R240 WeakPolarHBondContact O-CG 3.27Å; K236-R240 PolarHBondContact O-N 2.69Å |
| 237 | V | 96.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.9 | -180 | 0 | 0 | 0 | 0 | 111.2 | Y233 I234 A239 R240 I241 L268 I269 L302 | Y233-V237 HydrophobicContact CD1-CG2 3.88Å; Y233-V237 HydrophobicContact CE1-CG2 3.43Å; Y233-V237 VanDerWaalsContact CE1-CG2 3.43Å; Y233-V237 HydrophobicContact CE2-CG2 4.42Å; Y233-V237 WeakPolarHBondContact O-CG2 3.26Å; Y233-V237 PolarHBondContact O-N 3.4Å; I234-V237 PolarHBondContact O-N 2.93Å; V237-A239 VanDerWaalsContact C-N 3.33Å; V237-A239 PolarHBondContact O-N 3.28Å; V237-R240 PolarHBondContact O-N 3.05Å; V237-I241 HydrophobicContact CG1-CD1 4.11Å; V237-I241 WeakPolarHBondContact O-CG1 3.43Å; V237-I241 PolarHBondContact O-N 3.49Å; V237-L268 HydrophobicContact CB-CD1 4.44Å; V237-L268 HydrophobicContact CG1-CB 3.86Å; V237-L268 HydrophobicContact CG1-CD1 4.08Å; V237-L268 HydrophobicContact CG2-CB 3.85Å; V237-L268 HydrophobicContact CG2-CD1 4.16Å; V237-I269 HydrophobicContact CG1-CD1 4.13Å; V237-I269 HydrophobicContact CG1-CG1 3.81Å; V237-L302 HydrophobicContact CB-CD1 4.21Å; V237-L302 HydrophobicContact CB-CD2 4.42Å; V237-L302 HydrophobicContact CG1-CD1 3.75Å; V237-L302 HydrophobicContact CG1-CD2 4.49Å |
| 238 | E | 95.5 | Very high | 95.7 | Very high | 83 Ų | 83 | 38.7 Ų | 38.7 | 39% | 0.388 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 176.9 | -173.4 | 170.7 | -150.5 | 0 | 0 | 111.9 | I234 K235 I241 N242 | I234-E238 PolarHBondContact O-N 3.49Å; K235-E238 PolarHBondContact O-N 2.99Å; E238-I241 PolarHBondContact O-N 3.09Å; E238-N242 PolarHBondContact O-N 3.14Å; E238-N242 PolarHBondContact O-ND2 2.98Å |
| 239 | A | 95.9 | Very high | 95.8 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 31% | 0.314 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | K235 K236 V237 I241 N242 E243 | K235-A239 PolarHBondContact O-N 2.87Å; K236-A239 PolarHBondContact O-N 2.73Å; V237-A239 VanDerWaalsContact C-N 3.33Å; V237-A239 PolarHBondContact O-N 3.28Å; A239-I241 PolarHBondContact O-N 3.28Å; A239-N242 PolarHBondContact O-N 3.19Å; A239-E243 VanDerWaalsContact O-CG 3.32Å; A239-E243 WeakPolarHBondContact O-CG 3.45Å; A239-E243 PolarHBondContact O-N 3.29Å |
| 240 | R | 96.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 45 Ų | 45 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -40.2 | 178 | -73.8 | -55.4 | -164.1 | -171.3 | 1.9 | 112.7 | R173 F217 E220 K236 V237 N242 E243 E244 L268 | R173-R240 PolarHBondContact O-NH1 3.38Å; R173-R240 PolarHBondContact O-NH2 3.48Å; F217-R240 HydrophobicContact CE1-CB 4.21Å; F217-R240 HydrophobicContact CE1-CG 4.16Å; E220-R240 IonicContact OE1-CZ 2.68Å; E220-R240 IonicContact OE1-NE 2.95Å; E220-R240 PolarHBondContact OE1-NE 3.42Å; E220-R240 VanDerWaalsContact OE1-NE 3.14Å; E220-R240 IonicContact OE1-NH2 3.62Å; E220-R240 PolarHBondContact OE1-NH2 3.04Å; E220-R240 IonicContact OE2-CZ 2.73Å; E220-R240 IonicContact OE2-NE 3.82Å; E220-R240 PolarHBondContact OE2-NE 3.45Å; E220-R240 IonicContact OE2-NH2 3.61Å; K236-R240 WeakPolarHBondContact O-CG 3.27Å; K236-R240 PolarHBondContact O-N 2.69Å; V237-R240 PolarHBondContact O-N 3.05Å; R240-N242 VanDerWaalsContact C-N 3.32Å; R240-N242 PolarHBondContact O-N 2.7Å; R240-E243 VanDerWaalsContact CD-OE2 3.27Å; R240-E243 WeakPolarHBondContact CD-OE2 3.31Å; R240-E243 IonicContact CZ-OE2 2.69Å; R240-E243 IonicContact NE-OE2 3.82Å; R240-E243 IonicContact NH1-OE2 3.79Å; R240-E243 PolarHBondContact NH1-OE2 3.03Å; R240-E243 PolarHBondContact O-N 2.79Å; R240-E244 WeakPolarHBondContact O-CG 3.28Å; R240-E244 PolarHBondContact O-N 2.86Å; R240-L268 HydrophobicContact CB-CD1 4.12Å; R240-L268 HydrophobicContact CG-CD1 4.39Å |
| 241 | I | 97 | Very high | 95.8 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -46.6 | 175.4 | -68.7 | 168.6 | 0 | 0 | 0 | 110.4 | V237 E238 A239 E244 I245 V264 E265 I269 | V237-I241 HydrophobicContact CG1-CD1 4.11Å; V237-I241 WeakPolarHBondContact O-CG1 3.43Å; V237-I241 PolarHBondContact O-N 3.49Å; E238-I241 PolarHBondContact O-N 3.09Å; A239-I241 PolarHBondContact O-N 3.28Å; I241-E244 PolarHBondContact O-N 3.03Å; I241-I245 HydrophobicContact CG2-CD1 3.86Å; I241-I245 WeakPolarHBondContact O-CG1 3.21Å; I241-I245 PolarHBondContact O-N 3.38Å; I241-I245 VanDerWaalsContact O-N 3.08Å; I241-V264 HydrophobicContact CG1-CB 4.42Å; I241-V264 HydrophobicContact CG1-CG1 3.62Å; I241-E265 HydrophobicContact CD1-CG 4.42Å; I241-I269 HydrophobicContact CD1-CD1 4.45Å |
| 242 | N | 96.7 | Very high | 96 | Very high | 79 Ų | 79 | 45.1 Ų | 45.1 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 179.9 | -65.5 | -26.8 | 0 | 0 | 0 | 112.2 | E238 A239 R240 E244 I245 E246 | E238-N242 PolarHBondContact O-N 3.14Å; E238-N242 PolarHBondContact O-ND2 2.98Å; A239-N242 PolarHBondContact O-N 3.19Å; R240-N242 VanDerWaalsContact C-N 3.32Å; R240-N242 PolarHBondContact O-N 2.7Å; N242-E244 VanDerWaalsContact C-N 3.31Å; N242-E244 PolarHBondContact O-N 3.45Å; N242-I245 PolarHBondContact O-N 2.97Å; N242-E246 WeakPolarHBondContact O-CG 3.47Å; N242-E246 PolarHBondContact O-N 3.43Å |
| 243 | E | 96.3 | Very high | 96 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 175.9 | -72.3 | 169.4 | -158.7 | 0 | 0 | 112.1 | A239 R240 R247 | A239-E243 VanDerWaalsContact O-CG 3.32Å; A239-E243 WeakPolarHBondContact O-CG 3.45Å; A239-E243 PolarHBondContact O-N 3.29Å; R240-E243 VanDerWaalsContact CD-OE2 3.27Å; R240-E243 WeakPolarHBondContact CD-OE2 3.31Å; R240-E243 IonicContact CZ-OE2 2.69Å; R240-E243 IonicContact NE-OE2 3.82Å; R240-E243 IonicContact NH1-OE2 3.79Å; R240-E243 PolarHBondContact NH1-OE2 3.03Å; R240-E243 PolarHBondContact O-N 2.79Å; E243-R247 WeakPolarHBondContact O-CB 3.33Å; E243-R247 PolarHBondContact O-N 2.93Å |
| 244 | E | 97 | Very high | 96 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 176.4 | -64.7 | -60.5 | 130.6 | 0 | 0 | 112.4 | R173 F217 R240 I241 N242 R247 V248 I260 V264 | R173-E244 IonicContact CZ-OE1 3.54Å; R173-E244 IonicContact CZ-OE2 3.86Å; R173-E244 IonicContact NE-OE1 3.62Å; R173-E244 PolarHBondContact NE-OE1 3.33Å; R173-E244 IonicContact NE-OE2 2.9Å; R173-E244 VanDerWaalsContact NH2-CD 3.25Å; R173-E244 IonicContact NH2-OE1 3.51Å; R173-E244 PolarHBondContact NH2-OE1 3.37Å; R173-E244 IonicContact NH2-OE2 3.94Å; R173-E244 PolarHBondContact NH2-OE2 2.9Å; F217-E244 HydrophobicContact CE2-CG 4.22Å; F217-E244 HydrophobicContact CZ-CG 3.81Å; F217-E244 WeakPolarHBondContact CZ-OE1 3.46Å; R240-E244 WeakPolarHBondContact O-CG 3.28Å; R240-E244 PolarHBondContact O-N 2.86Å; I241-E244 PolarHBondContact O-N 3.03Å; N242-E244 VanDerWaalsContact C-N 3.31Å; N242-E244 PolarHBondContact O-N 3.45Å; E244-R247 PolarHBondContact O-N 3.33Å; E244-R247 IonicContact OE1-CZ 2.7Å; E244-R247 IonicContact OE1-NH1 3.95Å; E244-R247 PolarHBondContact OE1-NH1 3.5Å; E244-R247 IonicContact OE1-NH2 3.79Å; E244-R247 IonicContact OE2-CZ 3.95Å; E244-R247 IonicContact OE2-NH1 2.61Å; E244-R247 PolarHBondContact OE2-NH1 3.26Å; E244-V248 WeakPolarHBondContact O-CG2 3.39Å; E244-V248 PolarHBondContact O-N 2.93Å; E244-I260 HydrophobicContact CB-CG1 4.16Å; E244-I260 HydrophobicContact CB-CG2 4.49Å; E244-I260 HydrophobicContact CG-CG1 4.21Å; E244-I260 WeakPolarHBondContact OE2-CG1 3.48Å; E244-V264 HydrophobicContact CB-CG2 4.43Å; E244-V264 HydrophobicContact CG-CG2 3.75Å |
| 245 | I | 97.4 | Very high | 96.1 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 175.1 | -68.4 | 166.6 | 0 | 0 | 0 | 110.4 | I241 N242 R247 V248 M249 E257 V261 | I241-I245 HydrophobicContact CG2-CD1 3.86Å; I241-I245 WeakPolarHBondContact O-CG1 3.21Å; I241-I245 PolarHBondContact O-N 3.38Å; I241-I245 VanDerWaalsContact O-N 3.08Å; N242-I245 PolarHBondContact O-N 2.97Å; I245-R247 VanDerWaalsContact C-N 3.31Å; I245-R247 PolarHBondContact O-N 3.44Å; I245-V248 PolarHBondContact O-N 3.2Å; I245-M249 HydrophobicContact CG2-SD 4.43Å; I245-M249 WeakPolarHBondContact O-CG 3.4Å; I245-M249 PolarHBondContact O-N 3.03Å; I245-E257 HydrophobicContact CG1-CG 4.35Å; I245-V261 HydrophobicContact CD1-CG2 4.21Å; I245-V261 HydrophobicContact CG1-CG2 3.8Å |
| 246 | E | 96.5 | Very high | 96.2 | Very high | 103 Ų | 103 | 48.2 Ų | 48.2 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 176.2 | -75.3 | -176.3 | -179 | 0 | 0 | 111.8 | N242 V248 M249 H250 | N242-E246 WeakPolarHBondContact O-CG 3.47Å; N242-E246 PolarHBondContact O-N 3.43Å; E246-V248 VanDerWaalsContact C-N 3.31Å; E246-V248 PolarHBondContact O-N 2.91Å; E246-M249 PolarHBondContact O-N 3.32Å; E246-H250 PolarHBondContact O-CD2 2.98Å; E246-H250 PolarHBondContact O-N 3.37Å |
| 247 | R | 95.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 49 Ų | 49 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.3 | -175.1 | 179.5 | -58.7 | 90.6 | 7 | 111.6 | E172 E243 E244 I245 M249 H250 C251 | E172-R247 IonicContact OE2-CZ 2.84Å; E172-R247 IonicContact OE2-NE 3.45Å; E172-R247 PolarHBondContact OE2-NE 3.22Å; E172-R247 IonicContact OE2-NH2 2.67Å; E243-R247 WeakPolarHBondContact O-CB 3.33Å; E243-R247 PolarHBondContact O-N 2.93Å; E244-R247 PolarHBondContact O-N 3.33Å; E244-R247 IonicContact OE1-CZ 2.7Å; E244-R247 IonicContact OE1-NH1 3.95Å; E244-R247 PolarHBondContact OE1-NH1 3.5Å; E244-R247 IonicContact OE1-NH2 3.79Å; E244-R247 IonicContact OE2-CZ 3.95Å; E244-R247 IonicContact OE2-NH1 2.61Å; E244-R247 PolarHBondContact OE2-NH1 3.26Å; I245-R247 VanDerWaalsContact C-N 3.31Å; I245-R247 PolarHBondContact O-N 3.44Å; R247-M249 VanDerWaalsContact C-N 3.35Å; R247-H250 PolarHBondContact O-N 3.01Å; R247-C251 WeakPolarHBondContact O-CB 3.38Å; R247-C251 PolarHBondContact O-N 3.38Å |
| 248 | V | 97.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -49.6 | 176.2 | 173.2 | 0 | 0 | 0 | 0 | 110 | E244 I245 E246 H250 C251 L252 D253 E257 I260 | E244-V248 WeakPolarHBondContact O-CG2 3.39Å; E244-V248 PolarHBondContact O-N 2.93Å; I245-V248 PolarHBondContact O-N 3.2Å; E246-V248 VanDerWaalsContact C-N 3.31Å; E246-V248 PolarHBondContact O-N 2.91Å; V248-H250 PolarHBondContact O-N 3.39Å; V248-C251 PolarHBondContact O-N 2.99Å; V248-L252 HydrophobicContact CG1-CB 4.42Å; V248-L252 HydrophobicContact CG2-CB 4.46Å; V248-L252 HydrophobicContact CG2-CD1 4.05Å; V248-L252 CarbonylContact O-C 3.42Å; V248-L252 PolarHBondContact O-N 3.02Å; V248-D253 WeakPolarHBondContact CG1-O 3.31Å; V248-E257 HydrophobicContact CG1-CB 3.98Å; V248-I260 HydrophobicContact CG2-CG2 3.82Å |
| 249 | M | 96 | Very high | 96.5 | Very high | 140 Ų | 140 | 52.7 Ų | 52.7 | 69% | 0.69 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -57.3 | -35.1 | 179.4 | -70.3 | -178.4 | 63.5 | 0 | 0 | 113.9 | I245 E246 R247 | I245-M249 HydrophobicContact CG2-SD 4.43Å; I245-M249 WeakPolarHBondContact O-CG 3.4Å; I245-M249 PolarHBondContact O-N 3.03Å; E246-M249 PolarHBondContact O-N 3.32Å; R247-M249 VanDerWaalsContact C-N 3.35Å |
| 250 | H | 94.4 | Very high | 96.6 | Very high | 92 Ų | 92 | 50.9 Ų | 50.9 | 43% | 0.426 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -91.8 | -31.8 | -175.1 | -70 | -54 | 0 | 0 | 0 | 114.5 | R180 E246 R247 V248 | R180-H250 PolarHBondContact NH1-CD2 3.39Å; R180-H250 VanDerWaalsContact NH1-CD2 3.27Å; E246-H250 PolarHBondContact O-CD2 2.98Å; E246-H250 PolarHBondContact O-N 3.37Å; R247-H250 PolarHBondContact O-N 3.01Å; V248-H250 PolarHBondContact O-N 3.39Å |
| 251 | C | 93.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -129.6 | -24.6 | -164 | -47 | 0 | 0 | 0 | 0 | 114.6 | R180 I183 R184 R247 V248 | R180-C251 WeakPolarHBondContact CB-SG 3.43Å; R180-C251 WeakPolarHBondContact CG-SG 3.34Å; I183-C251 HydrophobicContact CB-CB 4.19Å; I183-C251 HydrophobicContact CG2-CB 3.87Å; R184-C251 VanDerWaalsContact CA-O 3.22Å; R184-C251 WeakPolarHBondContact CA-O 3.3Å; R184-C251 PolarHBondContact N-O 3.25Å; R247-C251 WeakPolarHBondContact O-CB 3.38Å; R247-C251 PolarHBondContact O-N 3.38Å; V248-C251 PolarHBondContact O-N 2.99Å |
| 252 | L | 96.5 | Very high | 96.7 | Very high | 17 Ų | 17 | 56.3 Ų | 56.3 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -117.4 | 171.7 | -169.9 | -48.4 | -178.5 | 0 | 0 | 0 | 111 | I169 I183 F205 F209 V248 T256 | I169-L252 HydrophobicContact CD1-CD2 4.39Å; I183-L252 HydrophobicContact CG2-CD2 3.98Å; F205-L252 HydrophobicContact CE1-CD2 3.8Å; F205-L252 HydrophobicContact CZ-CD2 3.8Å; F209-L252 HydrophobicContact CD1-CD1 4.49Å; F209-L252 HydrophobicContact CE1-CD1 3.85Å; F209-L252 HydrophobicContact CZ-CD1 3.91Å; V248-L252 HydrophobicContact CG1-CB 4.42Å; V248-L252 HydrophobicContact CG2-CB 4.46Å; V248-L252 HydrophobicContact CG2-CD1 4.05Å; V248-L252 CarbonylContact O-C 3.42Å; V248-L252 PolarHBondContact O-N 3.02Å; L252-T256 HydrophobicContact CD1-CG2 4.16Å |
| 253 | D | 95.6 | Very high | 96.8 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | trans | -73.6 | 140.5 | 171.4 | -171.5 | -91.5 | 0 | 0 | 0 | 110.8 | M191 Y201 V248 S255 T256 | M191-D253 HydrophobicContact CE-CB 4.46Å; M191-D253 HydrophobicContact CG-CB 4.15Å; M191-D253 HydrophobicContact SD-CB 4.19Å; Y201-D253 HydrophobicContact CE1-CB 4.21Å; V248-D253 WeakPolarHBondContact CG1-O 3.31Å; D253-S255 PolarHBondContact O-N 3.43Å; D253-S255 WeakPolarHBondContact OD1-CB 3.48Å; D253-S255 PolarHBondContact OD1-N 3.2Å; D253-S255 PolarHBondContact OD1-OG 2.89Å; D253-T256 WeakPolarHBondContact O-CB 3.38Å; D253-T256 PolarHBondContact O-N 3.3Å; D253-T256 PolarHBondContact O-OG1 3.07Å | ||
| 254 | K | 96.1 | Very high | 96.9 | Very high | 167 Ų | 167 | 50 Ų | 50 | 73% | 0.726 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -51.7 | -33.6 | 179.8 | 179.6 | -179.8 | 177.8 | -178.6 | 0 | 112.7 | T256 E257 | K254-T256 PolarHBondContact O-N 3.4Å; K254-T256 VanDerWaalsContact O-N 3.08Å; K254-E257 WeakPolarHBondContact O-CB 3.4Å; K254-E257 PolarHBondContact O-N 3.49Å; K254-E257 VanDerWaalsContact O-N 3.11Å |
| 255 | S | 96 | Very high | 96.9 | Very high | 45 Ų | 45 | 51.3 Ų | 51.3 | 32% | 0.315 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -66.9 | -5.9 | 179.4 | 66.3 | 0 | 0 | 0 | 0 | 114.3 | R198 D253 P259 | R198-S255 PolarHBondContact NH1-O 3.18Å; R198-S255 PolarHBondContact NH1-OG 3.43Å; R198-S255 VanDerWaalsContact NH1-OG 3.08Å; R198-S255 PolarHBondContact NH2-OG 2.9Å; D253-S255 PolarHBondContact O-N 3.43Å; D253-S255 WeakPolarHBondContact OD1-CB 3.48Å; D253-S255 PolarHBondContact OD1-N 3.2Å; D253-S255 PolarHBondContact OD1-OG 2.89Å; S255-P259 WeakPolarHBondContact O-CD 3.36Å |
| 256 | T | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -86 | -19.3 | 173.8 | -44.7 | 0 | 0 | 0 | 0 | 112.9 | Y201 E206 F209 L252 D253 K254 E258 P259 I260 | Y201-T256 WeakPolarHBondContact CE1-OG1 3.36Å; Y201-T256 PolarHBondContact OH-OG1 3.02Å; E206-T256 HydrophobicContact CG-CG2 4.01Å; E206-T256 WeakPolarHBondContact OE1-CA 3.37Å; E206-T256 PolarHBondContact OE1-OG1 3.41Å; F209-T256 HydrophobicContact CD1-CG2 4.17Å; F209-T256 HydrophobicContact CE1-CG2 3.84Å; L252-T256 HydrophobicContact CD1-CG2 4.16Å; D253-T256 WeakPolarHBondContact O-CB 3.38Å; D253-T256 PolarHBondContact O-N 3.3Å; D253-T256 PolarHBondContact O-OG1 3.07Å; K254-T256 PolarHBondContact O-N 3.4Å; K254-T256 VanDerWaalsContact O-N 3.08Å; T256-E258 PolarHBondContact O-N 3.04Å; T256-P259 VanDerWaalsContact O-CD 3.31Å; T256-P259 WeakPolarHBondContact O-CD 3.48Å; T256-I260 VanDerWaalsContact O-CG2 3.28Å; T256-I260 WeakPolarHBondContact O-CG2 3.41Å; T256-I260 PolarHBondContact O-N 3.27Å |
| 257 | E | 98 | Very high | 97 | Very high | 70 Ų | 70 | 50 Ų | 50 | 33% | 0.327 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.6 | -51.3 | -174.1 | -168.3 | -176.7 | 130 | 0 | 0 | 112.3 | I245 V248 K254 I260 V261 | I245-E257 HydrophobicContact CG1-CG 4.35Å; V248-E257 HydrophobicContact CG1-CB 3.98Å; K254-E257 WeakPolarHBondContact O-CB 3.4Å; K254-E257 PolarHBondContact O-N 3.49Å; K254-E257 VanDerWaalsContact O-N 3.11Å; E257-I260 WeakPolarHBondContact O-CG2 3.41Å; E257-V261 WeakPolarHBondContact O-CB 3.49Å; E257-V261 WeakPolarHBondContact O-CG2 3.47Å; E257-V261 PolarHBondContact O-N 3.11Å |
| 258 | E | 97.6 | Very high | 97.1 | Very high | 127 Ų | 127 | 49.8 Ų | 49.8 | 59% | 0.593 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.2 | -48.7 | -179.6 | 176.9 | -174.7 | 176.9 | 0 | 0 | 112.2 | T256 I260 K262 | T256-E258 PolarHBondContact O-N 3.04Å; E258-I260 PolarHBondContact O-N 3.04Å; E258-K262 HydrophobicContact CG-CD 4.3Å; E258-K262 WeakPolarHBondContact O-CB 3.32Å; E258-K262 WeakPolarHBondContact O-CG 3.45Å; E258-K262 PolarHBondContact O-N 3.1Å; E258-K262 VanDerWaalsContact OE1-CE 3.25Å; E258-K262 WeakPolarHBondContact OE1-CE 3.4Å; E258-K262 IonicContact OE1-NZ 3.73Å; E258-K262 PolarHBondContact OE1-NZ 3.36Å |
| 259 | P | 98.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 24% | 0.24 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.2 | -47 | 174.8 | -28 | 33.2 | 0 | 0 | 0 | 114.7 | L210 S255 T256 K262 V263 | L210-P259 HydrophobicContact CD1-CB 3.69Å; L210-P259 HydrophobicContact CD2-CB 3.95Å; L210-P259 HydrophobicContact CG-CB 4.49Å; S255-P259 WeakPolarHBondContact O-CD 3.36Å; T256-P259 VanDerWaalsContact O-CD 3.31Å; T256-P259 WeakPolarHBondContact O-CD 3.48Å; P259-K262 PolarHBondContact O-N 3.19Å; P259-V263 WeakPolarHBondContact O-CG2 3.42Å; P259-V263 PolarHBondContact O-N 3.21Å |
| 260 | I | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.6 | -40.8 | -177.4 | -171.4 | 58.2 | 0 | 0 | 0 | 111.6 | F209 L210 E244 V248 T256 E257 E258 K262 V263 V264 | F209-I260 HydrophobicContact CE1-CB 4.19Å; F209-I260 HydrophobicContact CE1-CD1 3.82Å; F209-I260 HydrophobicContact CE1-CG1 4.02Å; F209-I260 HydrophobicContact CZ-CD1 3.68Å; F209-I260 HydrophobicContact CZ-CG1 3.91Å; L210-I260 HydrophobicContact CD2-CB 3.99Å; L210-I260 HydrophobicContact CD2-CD1 4.03Å; E244-I260 HydrophobicContact CB-CG1 4.16Å; E244-I260 HydrophobicContact CB-CG2 4.49Å; E244-I260 HydrophobicContact CG-CG1 4.21Å; E244-I260 WeakPolarHBondContact OE2-CG1 3.48Å; V248-I260 HydrophobicContact CG2-CG2 3.82Å; T256-I260 VanDerWaalsContact O-CG2 3.28Å; T256-I260 WeakPolarHBondContact O-CG2 3.41Å; T256-I260 PolarHBondContact O-N 3.27Å; E257-I260 WeakPolarHBondContact O-CG2 3.41Å; E258-I260 PolarHBondContact O-N 3.04Å; I260-K262 VanDerWaalsContact C-N 3.3Å; I260-K262 PolarHBondContact O-N 3.44Å; I260-V263 HydrophobicContact CD1-CB 4.45Å; I260-V263 WeakPolarHBondContact O-CB 3.14Å; I260-V263 PolarHBondContact O-N 3.08Å; I260-V263 VanDerWaalsContact O-N 3.07Å; I260-V264 WeakPolarHBondContact O-CG2 3.41Å; I260-V264 PolarHBondContact O-N 3.29Å |
| 261 | V | 98.1 | Very high | 97.3 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | I245 E257 V263 V264 E265 | I245-V261 HydrophobicContact CD1-CG2 4.21Å; I245-V261 HydrophobicContact CG1-CG2 3.8Å; E257-V261 WeakPolarHBondContact O-CB 3.49Å; E257-V261 WeakPolarHBondContact O-CG2 3.47Å; E257-V261 PolarHBondContact O-N 3.11Å; V261-V263 VanDerWaalsContact C-N 3.3Å; V261-V263 PolarHBondContact O-N 3.2Å; V261-V264 PolarHBondContact O-N 2.9Å; V261-E265 HydrophobicContact CG1-CG 4.13Å; V261-E265 WeakPolarHBondContact O-CB 3.25Å; V261-E265 WeakPolarHBondContact O-CG 3.46Å; V261-E265 PolarHBondContact O-N 3.25Å |
| 262 | K | 97.9 | Very high | 97.4 | Very high | 115 Ų | 115 | 47.2 Ų | 47.2 | 50% | 0.5 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.7 | -37.3 | 174 | -76.7 | 178.5 | -175.9 | 169.8 | 0 | 112.9 | E258 P259 I260 R266 | E258-K262 HydrophobicContact CG-CD 4.3Å; E258-K262 WeakPolarHBondContact O-CB 3.32Å; E258-K262 WeakPolarHBondContact O-CG 3.45Å; E258-K262 PolarHBondContact O-N 3.1Å; E258-K262 VanDerWaalsContact OE1-CE 3.25Å; E258-K262 WeakPolarHBondContact OE1-CE 3.4Å; E258-K262 IonicContact OE1-NZ 3.73Å; E258-K262 PolarHBondContact OE1-NZ 3.36Å; P259-K262 PolarHBondContact O-N 3.19Å; I260-K262 VanDerWaalsContact C-N 3.3Å; I260-K262 PolarHBondContact O-N 3.44Å; K262-R266 WeakPolarHBondContact O-CB 3.28Å; K262-R266 PolarHBondContact O-N 3.04Å |
| 263 | V | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -48.2 | 174.4 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | L210 A214 F217 P259 I260 V261 E265 R266 E267 | L210-V263 HydrophobicContact CB-CG2 4.4Å; L210-V263 HydrophobicContact CD2-CG2 4.15Å; A214-V263 HydrophobicContact CB-CG1 3.8Å; F217-V263 HydrophobicContact CD2-CG1 4.48Å; P259-V263 WeakPolarHBondContact O-CG2 3.42Å; P259-V263 PolarHBondContact O-N 3.21Å; I260-V263 HydrophobicContact CD1-CB 4.45Å; I260-V263 WeakPolarHBondContact O-CB 3.14Å; I260-V263 PolarHBondContact O-N 3.08Å; I260-V263 VanDerWaalsContact O-N 3.07Å; V261-V263 VanDerWaalsContact C-N 3.3Å; V261-V263 PolarHBondContact O-N 3.2Å; V263-E265 PolarHBondContact O-N 2.83Å; V263-R266 PolarHBondContact O-N 3.24Å; V263-E267 HydrophobicContact CG1-CG 4.27Å; V263-E267 WeakPolarHBondContact O-CB 3.29Å; V263-E267 WeakPolarHBondContact O-CG 3.37Å; V263-E267 PolarHBondContact O-N 2.89Å |
| 264 | V | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | F217 I241 E244 I260 V261 R266 E267 L268 | F217-V264 HydrophobicContact CD2-CG2 3.99Å; F217-V264 HydrophobicContact CE2-CG2 3.47Å; F217-V264 VanDerWaalsContact CE2-CG2 3.47Å; F217-V264 HydrophobicContact CZ-CG2 3.83Å; I241-V264 HydrophobicContact CG1-CB 4.42Å; I241-V264 HydrophobicContact CG1-CG1 3.62Å; E244-V264 HydrophobicContact CB-CG2 4.43Å; E244-V264 HydrophobicContact CG-CG2 3.75Å; I260-V264 WeakPolarHBondContact O-CG2 3.41Å; I260-V264 PolarHBondContact O-N 3.29Å; V261-V264 PolarHBondContact O-N 2.9Å; V264-R266 VanDerWaalsContact C-N 3.32Å; V264-R266 PolarHBondContact O-N 3.09Å; V264-E267 PolarHBondContact O-N 2.91Å; V264-L268 HydrophobicContact CG1-CD1 3.65Å; V264-L268 HydrophobicContact CG1-CG 4.18Å; V264-L268 VanDerWaalsContact O-CB 3.27Å; V264-L268 WeakPolarHBondContact O-CB 3.31Å; V264-L268 PolarHBondContact O-N 2.84Å |
| 265 | E | 97.8 | Very high | 97.3 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -64.1 | -35.4 | 179.8 | -71.4 | 179 | 162.9 | 0 | 0 | 112.2 | I241 V261 V263 I269 S270 R305 V306 | I241-E265 HydrophobicContact CD1-CG 4.42Å; V261-E265 HydrophobicContact CG1-CG 4.13Å; V261-E265 WeakPolarHBondContact O-CB 3.25Å; V261-E265 WeakPolarHBondContact O-CG 3.46Å; V261-E265 PolarHBondContact O-N 3.25Å; V263-E265 PolarHBondContact O-N 2.83Å; E265-I269 HydrophobicContact CB-CD1 4.3Å; E265-I269 HydrophobicContact CG-CD1 4.11Å; E265-I269 WeakPolarHBondContact O-CA 3.48Å; E265-I269 VanDerWaalsContact O-CB 3.27Å; E265-I269 WeakPolarHBondContact O-CB 3.27Å; E265-I269 PolarHBondContact O-N 3.04Å; E265-S270 PolarHBondContact O-N 3.08Å; E265-S270 PolarHBondContact O-OG 2.55Å; E265-R305 WeakPolarHBondContact OE1-CB 3.36Å; E265-R305 IonicContact OE1-NH1 2.76Å; E265-R305 PolarHBondContact OE1-NH1 3.45Å; E265-V306 HydrophobicContact CB-CG1 4Å |
| 266 | R | 98 | Very high | 97.3 | Very high | 114 Ų | 114 | 45.1 Ų | 45.1 | 43% | 0.43 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -67.9 | -53.4 | 175.3 | -174.6 | -175.1 | 72.5 | -156 | -0.9 | 111.4 | K262 V263 V264 S270 K271 | K262-R266 WeakPolarHBondContact O-CB 3.28Å; K262-R266 PolarHBondContact O-N 3.04Å; V263-R266 PolarHBondContact O-N 3.24Å; V264-R266 VanDerWaalsContact C-N 3.32Å; V264-R266 PolarHBondContact O-N 3.09Å; R266-S270 PolarHBondContact O-N 2.99Å; R266-K271 WeakPolarHBondContact O-CG 3.41Å; R266-K271 PolarHBondContact O-N 2.88Å; R266-K271 VanDerWaalsContact O-N 3.09Å |
| 267 | E | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -75.2 | -37.9 | -171.8 | -63.9 | -53.8 | 140 | 0 | 0 | 112.9 | A214 F217 V263 V264 K271 H272 | A214-E267 HydrophobicContact CB-CG 4.22Å; F217-E267 HydrophobicContact CB-CB 3.73Å; F217-E267 HydrophobicContact CB-CG 4.33Å; V263-E267 HydrophobicContact CG1-CG 4.27Å; V263-E267 WeakPolarHBondContact O-CB 3.29Å; V263-E267 WeakPolarHBondContact O-CG 3.37Å; V263-E267 PolarHBondContact O-N 2.89Å; V264-E267 PolarHBondContact O-N 2.91Å; E267-K271 WeakPolarHBondContact OE1-CE 3.32Å; E267-K271 IonicContact OE1-NZ 2.78Å; E267-K271 PolarHBondContact OE1-NZ 3.33Å; E267-K271 WeakPolarHBondContact OE2-CD 3.37Å; E267-K271 WeakPolarHBondContact OE2-CE 3.5Å; E267-K271 IonicContact OE2-NZ 3.23Å; E267-K271 PolarHBondContact OE2-NZ 2.79Å; E267-H272 PolarHBondContact O-CD2 3.45Å; E267-H272 PolarHBondContact O-NE2 2.82Å |
| 268 | L | 97.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -94 | -25.6 | -176 | -58 | -171.8 | 0 | 0 | 0 | 113.8 | F217 Y233 V237 R240 V264 | F217-L268 HydrophobicContact CB-CD2 3.8Å; F217-L268 HydrophobicContact CB-CG 4.14Å; F217-L268 HydrophobicContact CD1-CD1 3.88Å; F217-L268 HydrophobicContact CD1-CD2 4.08Å; F217-L268 HydrophobicContact CD1-CG 4.17Å; F217-L268 HydrophobicContact CE1-CD1 4.34Å; F217-L268 HydrophobicContact CG-CD1 4.46Å; F217-L268 HydrophobicContact CG-CD2 4.3Å; F217-L268 HydrophobicContact CG-CG 4.32Å; F217-L268 WeakPolarHBondContact O-CD2 3.43Å; Y233-L268 WeakPolarHBondContact CE1-O 3.26Å; Y233-L268 WeakPolarHBondContact OH-CA 3.34Å; Y233-L268 PolarHBondContact OH-O 3.02Å; V237-L268 HydrophobicContact CB-CD1 4.44Å; V237-L268 HydrophobicContact CG1-CB 3.86Å; V237-L268 HydrophobicContact CG1-CD1 4.08Å; V237-L268 HydrophobicContact CG2-CB 3.85Å; V237-L268 HydrophobicContact CG2-CD1 4.16Å; R240-L268 HydrophobicContact CB-CD1 4.12Å; R240-L268 HydrophobicContact CG-CD1 4.39Å; V264-L268 HydrophobicContact CG1-CD1 3.65Å; V264-L268 HydrophobicContact CG1-CG 4.18Å; V264-L268 VanDerWaalsContact O-CB 3.27Å; V264-L268 WeakPolarHBondContact O-CB 3.31Å; V264-L268 PolarHBondContact O-N 2.84Å |
| 269 | I | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -114.3 | -63.8 | -176.1 | -46.3 | 169.3 | 0 | 0 | 0 | 110.8 | V237 I241 E265 K271 H272 M273 L302 V306 | V237-I269 HydrophobicContact CG1-CD1 4.13Å; V237-I269 HydrophobicContact CG1-CG1 3.81Å; I241-I269 HydrophobicContact CD1-CD1 4.45Å; E265-I269 HydrophobicContact CB-CD1 4.3Å; E265-I269 HydrophobicContact CG-CD1 4.11Å; E265-I269 WeakPolarHBondContact O-CA 3.48Å; E265-I269 VanDerWaalsContact O-CB 3.27Å; E265-I269 WeakPolarHBondContact O-CB 3.27Å; E265-I269 PolarHBondContact O-N 3.04Å; I269-K271 PolarHBondContact O-N 3.06Å; I269-H272 CarbonylContact O-C 3.57Å; I269-H272 PolarHBondContact O-N 3.45Å; I269-M273 HydrophobicContact CG2-CG 4.46Å; I269-M273 VanDerWaalsContact O-CG 3.26Å; I269-M273 WeakPolarHBondContact O-CG 3.4Å; I269-M273 PolarHBondContact O-N 3.11Å; I269-L302 HydrophobicContact CD1-CD1 3.44Å; I269-L302 VanDerWaalsContact CD1-CD1 3.44Å; I269-L302 HydrophobicContact CD1-CG 3.77Å; I269-L302 HydrophobicContact CG1-CD1 3.98Å; I269-L302 HydrophobicContact CG1-CD2 4.25Å; I269-L302 HydrophobicContact CG1-CG 4.05Å; I269-L302 HydrophobicContact CG2-CG 4.35Å; I269-V306 HydrophobicContact CB-CG1 4.04Å; I269-V306 HydrophobicContact CD1-CG1 4.28Å; I269-V306 HydrophobicContact CG2-CG1 4.04Å; I269-V306 HydrophobicContact CG2-CG2 3.75Å |
| 270 | S | 97 | Very high | 96.6 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -59.8 | -43.7 | -167.5 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | E265 R266 H272 M273 V306 | E265-S270 PolarHBondContact O-N 3.08Å; E265-S270 PolarHBondContact O-OG 2.55Å; R266-S270 PolarHBondContact O-N 2.99Å; S270-H272 PolarHBondContact O-N 2.9Å; S270-M273 WeakPolarHBondContact O-CE 3.22Å; S270-V306 VanDerWaalsContact OG-CG1 3.31Å; S270-V306 WeakPolarHBondContact OG-CG1 3.32Å |
| 271 | K | 96.8 | Very high | 96.2 | Very high | 113 Ų | 113 | 55 Ų | 55 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -68.2 | -22 | 178.4 | -73.2 | -175.8 | -177.3 | 176.6 | 0 | 113.8 | R266 E267 I269 | R266-K271 WeakPolarHBondContact O-CG 3.41Å; R266-K271 PolarHBondContact O-N 2.88Å; R266-K271 VanDerWaalsContact O-N 3.09Å; E267-K271 WeakPolarHBondContact OE1-CE 3.32Å; E267-K271 IonicContact OE1-NZ 2.78Å; E267-K271 PolarHBondContact OE1-NZ 3.33Å; E267-K271 WeakPolarHBondContact OE2-CD 3.37Å; E267-K271 WeakPolarHBondContact OE2-CE 3.5Å; E267-K271 IonicContact OE2-NZ 3.23Å; E267-K271 PolarHBondContact OE2-NZ 2.79Å; I269-K271 PolarHBondContact O-N 3.06Å |
| 272 | H | 96.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 54.6 Ų | 54.6 | 13% | 0.13 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -117.1 | 8.5 | -170.9 | -58.1 | -60.2 | 0 | 0 | 0 | 114 | S221 L225 E267 I269 S270 K274 T275 I276 | S221-H272 VanDerWaalsContact CB-NE2 3.26Å; S221-H272 WeakPolarHBondContact CB-NE2 3.2Å; S221-H272 PolarHBondContact OG-NE2 3.06Å; L225-H272 HydrophobicContact CD1-CB 3.8Å; L225-H272 VanDerWaalsContact CD1-CG 3.48Å; E267-H272 PolarHBondContact O-CD2 3.45Å; E267-H272 PolarHBondContact O-NE2 2.82Å; I269-H272 CarbonylContact O-C 3.57Å; I269-H272 PolarHBondContact O-N 3.45Å; S270-H272 PolarHBondContact O-N 2.9Å; H272-K274 VanDerWaalsContact C-N 3.34Å; H272-K274 PolarHBondContact O-N 3.06Å; H272-T275 WeakPolarHBondContact O-CB 3.37Å; H272-T275 PolarHBondContact O-N 3.31Å; H272-T275 VanDerWaalsContact O-N 3.09Å; H272-I276 HydrophobicContact CB-CD1 3.89Å; H272-I276 HydrophobicContact CB-CG1 4.2Å; H272-I276 VanDerWaalsContact O-CG1 3.32Å; H272-I276 WeakPolarHBondContact O-CG1 3.41Å; H272-I276 PolarHBondContact O-N 3.45Å |
| 273 | M | 95.4 | Very high | 96 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -50.9 | -50 | -174.9 | -71.5 | -171.3 | -73.2 | 0 | 0 | 112.9 | I269 S270 V277 F303 V306 G309 T312 | I269-M273 HydrophobicContact CG2-CG 4.46Å; I269-M273 VanDerWaalsContact O-CG 3.26Å; I269-M273 WeakPolarHBondContact O-CG 3.4Å; I269-M273 PolarHBondContact O-N 3.11Å; S270-M273 WeakPolarHBondContact O-CE 3.22Å; M273-V277 WeakPolarHBondContact O-CB 3.33Å; M273-V277 VanDerWaalsContact O-CG2 3.29Å; M273-V277 WeakPolarHBondContact O-CG2 3.48Å; M273-V277 PolarHBondContact O-N 3.15Å; M273-F303 HydrophobicContact CB-CE1 3.76Å; M273-F303 HydrophobicContact CB-CZ 4.36Å; M273-F303 HydrophobicContact CG-CD1 4.34Å; M273-F303 HydrophobicContact CG-CE1 3.88Å; M273-F303 HydrophobicContact CG-CZ 4.48Å; M273-V306 HydrophobicContact CG-CG2 4.46Å; M273-V306 HydrophobicContact SD-CG2 3.71Å; M273-G309 VanDerWaalsContact SD-CA 3.55Å; M273-T312 HydrophobicContact CB-CG2 4.29Å |
| 274 | K | 95.2 | Very high | 95.9 | Very high | 135 Ų | 135 | 48.7 Ų | 48.7 | 59% | 0.587 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.7 | -48.4 | 178.1 | -71.3 | -168.4 | 176.1 | -171.5 | 0 | 111.5 | H272 I276 V277 E278 T312 | H272-K274 VanDerWaalsContact C-N 3.34Å; H272-K274 PolarHBondContact O-N 3.06Å; K274-I276 VanDerWaalsContact C-N 3.29Å; K274-I276 PolarHBondContact O-N 3.13Å; K274-V277 PolarHBondContact O-N 3.2Å; K274-E278 VanDerWaalsContact O-CB 3.28Å; K274-E278 WeakPolarHBondContact O-CB 3.11Å; K274-E278 WeakPolarHBondContact O-CG 3.48Å; K274-E278 PolarHBondContact O-N 3.25Å; K274-T312 HydrophobicContact CG-CG2 4.21Å |
| 275 | T | 95.5 | Very high | 95.9 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 46% | 0.46 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -54.9 | -44 | 178.8 | -48.3 | 0 | 0 | 0 | 0 | 112.2 | H272 M279 | H272-T275 WeakPolarHBondContact O-CB 3.37Å; H272-T275 PolarHBondContact O-N 3.31Å; H272-T275 VanDerWaalsContact O-N 3.09Å; T275-M279 WeakPolarHBondContact O-CA 3.39Å; T275-M279 VanDerWaalsContact O-CB 3.31Å; T275-M279 WeakPolarHBondContact O-CB 3.38Å; T275-M279 PolarHBondContact O-N 3.32Å |
| 276 | I | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.7 | -45.4 | -179.6 | -63.3 | 160 | 0 | 0 | 0 | 111.1 | L225 A230 Y233 I234 H272 K274 M279 M299 F303 | L225-I276 HydrophobicContact CD2-CG1 3.85Å; A230-I276 HydrophobicContact CB-CG2 4.32Å; Y233-I276 HydrophobicContact CD1-CD1 3.9Å; Y233-I276 HydrophobicContact CD1-CG1 4.05Å; Y233-I276 HydrophobicContact CE1-CD1 3.51Å; Y233-I276 HydrophobicContact CE1-CG1 4.03Å; I234-I276 HydrophobicContact CD1-CG2 4.35Å; I234-I276 HydrophobicContact CG1-CG2 4.39Å; H272-I276 HydrophobicContact CB-CD1 3.89Å; H272-I276 HydrophobicContact CB-CG1 4.2Å; H272-I276 VanDerWaalsContact O-CG1 3.32Å; H272-I276 WeakPolarHBondContact O-CG1 3.41Å; H272-I276 PolarHBondContact O-N 3.45Å; K274-I276 VanDerWaalsContact C-N 3.29Å; K274-I276 PolarHBondContact O-N 3.13Å; I276-M279 WeakPolarHBondContact O-CB 3.19Å; I276-M299 HydrophobicContact CG2-CE 4.14Å; I276-F303 HydrophobicContact CB-CE2 4.47Å; I276-F303 HydrophobicContact CB-CZ 4.05Å; I276-F303 HydrophobicContact CD1-CZ 4.42Å; I276-F303 HydrophobicContact CG2-CE2 3.98Å; I276-F303 HydrophobicContact CG2-CZ 3.99Å |
| 277 | V | 96.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.3 | -40.1 | -178.3 | 166.7 | 0 | 0 | 0 | 0 | 111.5 | M273 K274 G283 L284 M299 F303 M313 C316 | M273-V277 WeakPolarHBondContact O-CB 3.33Å; M273-V277 VanDerWaalsContact O-CG2 3.29Å; M273-V277 WeakPolarHBondContact O-CG2 3.48Å; M273-V277 PolarHBondContact O-N 3.15Å; K274-V277 PolarHBondContact O-N 3.2Å; V277-G283 CarbonylContact O-C 3.51Å; V277-L284 HydrophobicContact CG1-CB 3.9Å; V277-L284 HydrophobicContact CG1-CD2 4.03Å; V277-L284 WeakPolarHBondContact O-CB 3.43Å; V277-L284 PolarHBondContact O-N 2.88Å; V277-M299 HydrophobicContact CG2-SD 4.3Å; V277-F303 HydrophobicContact CG2-CD1 4.26Å; V277-F303 HydrophobicContact CG2-CE1 3.37Å; V277-F303 HydrophobicContact CG2-CZ 3.56Å; V277-M313 HydrophobicContact CG2-CG 4.01Å; V277-C316 HydrophobicContact CG1-CB 3.29Å; V277-C316 WeakPolarHBondContact CG1-SG 3.31Å |
| 278 | E | 95.4 | Very high | 95.8 | Very high | 129 Ų | 129 | 45.7 Ų | 45.7 | 60% | 0.603 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.3 | -176.6 | -61.1 | 174.6 | 172.4 | 0 | 0 | 112.7 | K274 E280 | K274-E278 VanDerWaalsContact O-CB 3.28Å; K274-E278 WeakPolarHBondContact O-CB 3.11Å; K274-E278 WeakPolarHBondContact O-CG 3.48Å; K274-E278 PolarHBondContact O-N 3.25Å; E278-E280 PolarHBondContact O-N 3.36Å |
| 279 | M | 94.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 16% | 0.158 | 25% | 0.25 | C | S | . | . | trans | -55.3 | 128.2 | -176.3 | -168.9 | 172.8 | -83.6 | 0 | 0 | 111.5 | L225 A230 T275 I276 N281 S282 G283 | L225-M279 HydrophobicContact CB-CE 4.46Å; L225-M279 HydrophobicContact CD2-CE 3.58Å; A230-M279 HydrophobicContact CB-CB 4.38Å; A230-M279 HydrophobicContact CB-SD 3.91Å; A230-M279 PolarHBondContact N-SD 3.41Å; T275-M279 WeakPolarHBondContact O-CA 3.39Å; T275-M279 VanDerWaalsContact O-CB 3.31Å; T275-M279 WeakPolarHBondContact O-CB 3.38Å; T275-M279 PolarHBondContact O-N 3.32Å; I276-M279 WeakPolarHBondContact O-CB 3.19Å; M279-N281 PolarHBondContact O-N 3.05Å; M279-S282 WeakPolarHBondContact CG-OG 3.46Å; M279-S282 PolarHBondContact O-N 3.44Å; M279-S282 PolarHBondContact SD-OG 3.19Å; M279-G283 WeakPolarHBondContact O-CA 3.44Å; M279-G283 PolarHBondContact O-N 3Å | ||
| 280 | E | 90.3 | Very high | 95.6 | Very high | 160 Ų | 160 | 55.4 Ų | 55.4 | 75% | 0.748 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 138.7 | -178.8 | -155.3 | -174.1 | 157.7 | 0 | 0 | 110.7 | E278 S282 | E278-E280 PolarHBondContact O-N 3.36Å; E280-S282 PolarHBondContact O-N 2.9Å; E280-S282 PolarHBondContact O-OG 3.24Å |
| 281 | N | 91.4 | Very high | 95.6 | Very high | 118 Ų | 118 | 54.4 Ų | 54.4 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 7 | 176.9 | -58.8 | -49.1 | 0 | 0 | 0 | 116.8 | M279 H286 | M279-N281 PolarHBondContact O-N 3.05Å; N281-H286 PolarHBondContact O-CD2 3.47Å; N281-H286 VanDerWaalsContact O-CD2 3.31Å; N281-H286 PolarHBondContact O-CE1 3.21Å; N281-H286 VanDerWaalsContact O-CG 3.22Å; N281-H286 PolarHBondContact O-ND1 2.63Å; N281-H286 VanDerWaalsContact O-ND1 3.13Å; N281-H286 PolarHBondContact O-NE2 3.08Å |
| 282 | S | 94.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 53 Ų | 53 | 8% | 0.084 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -150.1 | -14.8 | 177.4 | 62.7 | 0 | 0 | 0 | 0 | 115.3 | A230 M279 E280 M287 | A230-S282 WeakPolarHBondContact CB-O 3.32Å; A230-S282 PolarHBondContact N-OG 3.33Å; A230-S282 VanDerWaalsContact N-OG 3.09Å; M279-S282 WeakPolarHBondContact CG-OG 3.46Å; M279-S282 PolarHBondContact O-N 3.44Å; M279-S282 PolarHBondContact SD-OG 3.19Å; E280-S282 PolarHBondContact O-N 2.9Å; E280-S282 PolarHBondContact O-OG 3.24Å; S282-M287 WeakPolarHBondContact O-CE 3.46Å |
| 283 | G | 95.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -70 | -171.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V277 M279 V285 H286 M287 | V277-G283 CarbonylContact O-C 3.51Å; M279-G283 WeakPolarHBondContact O-CA 3.44Å; M279-G283 PolarHBondContact O-N 3Å; G283-V285 VanDerWaalsContact C-N 3.34Å; G283-V285 PolarHBondContact O-N 3.18Å; G283-H286 WeakPolarHBondContact O-CB 3.48Å; G283-H286 PolarHBondContact O-N 2.95Å; G283-M287 WeakPolarHBondContact O-CG 3.48Å; G283-M287 PolarHBondContact O-N 3.32Å |
| 284 | L | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.4 | -46.9 | -170.9 | -176.1 | 72.4 | 0 | 0 | 0 | 112.5 | V277 H286 M287 L288 L296 M299 M313 C316 M317 | V277-L284 HydrophobicContact CG1-CB 3.9Å; V277-L284 HydrophobicContact CG1-CD2 4.03Å; V277-L284 WeakPolarHBondContact O-CB 3.43Å; V277-L284 PolarHBondContact O-N 2.88Å; L284-H286 VanDerWaalsContact C-N 3.33Å; L284-H286 PolarHBondContact O-N 3.17Å; L284-M287 PolarHBondContact O-N 2.8Å; L284-L288 HydrophobicContact CG-CD1 4.06Å; L284-L288 HydrophobicContact CG-CG 4.5Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 3.35Å; L284-L296 HydrophobicContact CD1-CD2 3.48Å; L284-L296 VanDerWaalsContact CD1-CD2 3.48Å; L284-M299 HydrophobicContact CB-SD 4.09Å; L284-M299 HydrophobicContact CD1-SD 3.8Å; L284-M313 HydrophobicContact CD1-CE 3.93Å; L284-M313 HydrophobicContact CD2-CB 4.44Å; L284-M313 VanDerWaalsContact CD2-O 3.24Å; L284-M313 WeakPolarHBondContact CD2-O 3.49Å; L284-C316 HydrophobicContact CD2-CB 3.81Å; L284-M317 HydrophobicContact CD2-CB 4.09Å |
| 285 | V | 97.2 | Very high | 95.5 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | -179.8 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | G283 L288 K289 Y320 | G283-V285 VanDerWaalsContact C-N 3.34Å; G283-V285 PolarHBondContact O-N 3.18Å; V285-L288 PolarHBondContact O-N 2.85Å; V285-K289 HydrophobicContact CG1-CD 4Å; V285-K289 HydrophobicContact CG1-CG 4.33Å; V285-K289 WeakPolarHBondContact O-CB 3.44Å; V285-K289 VanDerWaalsContact O-CG 3.32Å; V285-K289 WeakPolarHBondContact O-CG 3.44Å; V285-K289 PolarHBondContact O-N 3.12Å; V285-Y320 HydrophobicContact CG1-CD2 3.66Å; V285-Y320 HydrophobicContact CG1-CE2 4.01Å; V285-Y320 HydrophobicContact CG1-CG 4.08Å; V285-Y320 HydrophobicContact CG2-CG 4.34Å |
| 286 | H | 96.8 | Very high | 95.5 | Very high | 43 Ų | 43 | 51 Ų | 51 | 20% | 0.199 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 176.2 | 173 | 93.3 | 0 | 0 | 0 | 111 | N281 G283 L284 L288 K289 N290 K292 | N281-H286 PolarHBondContact O-CD2 3.47Å; N281-H286 VanDerWaalsContact O-CD2 3.31Å; N281-H286 PolarHBondContact O-CE1 3.21Å; N281-H286 VanDerWaalsContact O-CG 3.22Å; N281-H286 PolarHBondContact O-ND1 2.63Å; N281-H286 VanDerWaalsContact O-ND1 3.13Å; N281-H286 PolarHBondContact O-NE2 3.08Å; G283-H286 WeakPolarHBondContact O-CB 3.48Å; G283-H286 PolarHBondContact O-N 2.95Å; L284-H286 VanDerWaalsContact C-N 3.33Å; L284-H286 PolarHBondContact O-N 3.17Å; H286-L288 PolarHBondContact O-N 3.12Å; H286-K289 PolarHBondContact O-N 3.16Å; H286-N290 PolarHBondContact CE1-ND2 3.48Å; H286-N290 PolarHBondContact ND1-ND2 3.38Å; H286-N290 PolarHBondContact NE2-ND2 3.09Å; H286-N290 PolarHBondContact O-N 3.23Å; H286-N290 PolarHBondContact O-ND2 3.35Å; H286-K292 PolarHBondContact NE2-NZ 3.46Å; H286-K292 VanDerWaalsContact NE2-NZ 3.17Å |
| 287 | M | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 177.6 | -62.4 | 178.3 | -176.4 | 0 | 0 | 111.6 | A230 S231 I234 S282 G283 L284 N290 G291 K292 D295 L296 M299 | A230-M287 HydrophobicContact CB-CE 4.14Å; S231-M287 WeakPolarHBondContact OG-CE 3.5Å; I234-M287 HydrophobicContact CD1-CE 4.48Å; S282-M287 WeakPolarHBondContact O-CE 3.46Å; G283-M287 WeakPolarHBondContact O-CG 3.48Å; G283-M287 PolarHBondContact O-N 3.32Å; L284-M287 PolarHBondContact O-N 2.8Å; M287-N290 PolarHBondContact O-N 3.43Å; M287-G291 PolarHBondContact O-N 3.2Å; M287-K292 HydrophobicContact CB-CB 4.26Å; M287-K292 PolarHBondContact O-N 3.25Å; M287-D295 HydrophobicContact CE-CB 3.97Å; M287-D295 HydrophobicContact CG-CB 4.28Å; M287-D295 HydrophobicContact SD-CB 3.78Å; M287-L296 HydrophobicContact CB-CD1 4.48Å; M287-L296 HydrophobicContact CB-CD2 3.62Å; M287-L296 HydrophobicContact CB-CG 3.79Å; M287-L296 HydrophobicContact SD-CD2 4.1Å; M287-L296 HydrophobicContact SD-CG 4.41Å; M287-M299 HydrophobicContact CE-CE 3.55Å; M287-M299 HydrophobicContact SD-CE 3.8Å |
| 288 | L | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 175 | -70.6 | 170.4 | 0 | 0 | 0 | 111.5 | L284 V285 H286 N290 G291 L296 M317 Y320 R351 F355 F360 | L284-L288 HydrophobicContact CG-CD1 4.06Å; L284-L288 HydrophobicContact CG-CG 4.5Å; L284-L288 VanDerWaalsContact O-CG 3.31Å; L284-L288 WeakPolarHBondContact O-CG 3.46Å; L284-L288 PolarHBondContact O-N 3.35Å; V285-L288 PolarHBondContact O-N 2.85Å; H286-L288 PolarHBondContact O-N 3.12Å; L288-N290 VanDerWaalsContact C-N 3.31Å; L288-N290 PolarHBondContact O-N 2.94Å; L288-G291 PolarHBondContact O-N 2.88Å; L288-L296 HydrophobicContact CD2-CD1 3.89Å; L288-L296 HydrophobicContact CD2-CD2 4.28Å; L288-L296 HydrophobicContact CG-CD2 4.3Å; L288-M317 HydrophobicContact CD1-CB 4.42Å; L288-M317 HydrophobicContact CD1-CG 4.1Å; L288-Y320 HydrophobicContact CB-CD1 4.18Å; L288-Y320 HydrophobicContact CB-CE1 3.82Å; L288-Y320 HydrophobicContact CD1-CD1 3.77Å; L288-Y320 HydrophobicContact CD1-CE1 4.25Å; L288-R351 PolarHBondContact O-NH2 2.99Å; L288-F355 HydrophobicContact CB-CE2 4.4Å; L288-F355 HydrophobicContact CD2-CD2 3.43Å; L288-F355 VanDerWaalsContact CD2-CD2 3.43Å; L288-F355 HydrophobicContact CD2-CE2 3.57Å; L288-F355 HydrophobicContact CD2-CG 4.08Å; L288-F355 HydrophobicContact CD2-CZ 4.32Å; L288-F355 WeakPolarHBondContact O-CZ 3.47Å; L288-F360 HydrophobicContact CD2-CZ 4.48Å |
| 289 | K | 96.1 | Very high | 95.6 | Very high | 111 Ų | 111 | 47.1 Ų | 47.1 | 48% | 0.483 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60 | -36.6 | 179.1 | -80.8 | 178.8 | 179.1 | -179.7 | 0 | 113.1 | V285 H286 Y320 R351 | V285-K289 HydrophobicContact CG1-CD 4Å; V285-K289 HydrophobicContact CG1-CG 4.33Å; V285-K289 WeakPolarHBondContact O-CB 3.44Å; V285-K289 VanDerWaalsContact O-CG 3.32Å; V285-K289 WeakPolarHBondContact O-CG 3.44Å; V285-K289 PolarHBondContact O-N 3.12Å; H286-K289 PolarHBondContact O-N 3.16Å; K289-Y320 HydrophobicContact CD-CE2 4.28Å; K289-Y320 VanDerWaalsContact CE-CE2 3.44Å; K289-Y320 HydrophobicContact CG-CE2 3.84Å; K289-Y320 VanDerWaalsContact CG-OH 3.23Å; K289-Y320 WeakPolarHBondContact CG-OH 3.33Å; K289-R351 PolarHBondContact O-NH2 3.11Å |
| 290 | N | 96.2 | Very high | 95.8 | Very high | 97 Ų | 97 | 47 Ų | 47 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -99.8 | 0.4 | -177.8 | -63.4 | -61.6 | 0 | 0 | 0 | 114 | H286 M287 L288 K292 | H286-N290 PolarHBondContact CE1-ND2 3.48Å; H286-N290 PolarHBondContact ND1-ND2 3.38Å; H286-N290 PolarHBondContact NE2-ND2 3.09Å; H286-N290 PolarHBondContact O-N 3.23Å; H286-N290 PolarHBondContact O-ND2 3.35Å; M287-N290 PolarHBondContact O-N 3.43Å; L288-N290 VanDerWaalsContact C-N 3.31Å; L288-N290 PolarHBondContact O-N 2.94Å; N290-K292 VanDerWaalsContact C-N 3.35Å; N290-K292 HydrophobicContact CB-CG 4.24Å; N290-K292 PolarHBondContact O-N 3.31Å |
| 291 | G | 95.5 | Very high | 96.1 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 28.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | M287 L288 T293 | M287-G291 PolarHBondContact O-N 3.2Å; L288-G291 PolarHBondContact O-N 2.88Å; G291-T293 PolarHBondContact O-N 3.31Å |
| 292 | K | 95.5 | Very high | 96.3 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 37% | 0.365 | 21% | 0.206 | S | C | . | . | trans | -76.3 | 78.3 | -179.3 | -63.7 | -174.4 | 172.6 | 177.3 | 0 | 111.4 | H286 M287 N290 D295 L296 | H286-K292 PolarHBondContact NE2-NZ 3.46Å; H286-K292 VanDerWaalsContact NE2-NZ 3.17Å; M287-K292 HydrophobicContact CB-CB 4.26Å; M287-K292 PolarHBondContact O-N 3.25Å; N290-K292 VanDerWaalsContact C-N 3.35Å; N290-K292 HydrophobicContact CB-CG 4.24Å; N290-K292 PolarHBondContact O-N 3.31Å; K292-D295 HydrophobicContact CB-CB 4.1Å; K292-D295 WeakPolarHBondContact CD-OD2 3.49Å; K292-L296 WeakPolarHBondContact O-CG 3.31Å; K292-L296 PolarHBondContact O-N 2.79Å; K292-L296 VanDerWaalsContact O-N 3.11Å | ||
| 293 | T | 95.7 | Very high | 96.4 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.2 | -34.4 | -171.9 | 41.7 | 0 | 0 | 0 | 0 | 114.7 | G291 G297 F355 E358 S359 | G291-T293 PolarHBondContact O-N 3.31Å; T293-G297 PolarHBondContact O-N 3.03Å; T293-F355 HydrophobicContact CG2-CD1 3.78Å; T293-F355 HydrophobicContact CG2-CE1 3.98Å; T293-E358 HydrophobicContact CG2-CB 4.37Å; T293-E358 WeakPolarHBondContact CG2-OE2 3.49Å; T293-S359 VanDerWaalsContact CA-OG 3.27Å; T293-S359 WeakPolarHBondContact CA-OG 3.39Å; T293-S359 WeakPolarHBondContact CB-OG 3.27Å; T293-S359 PolarHBondContact O-OG 2.99Å |
| 294 | E | 95.6 | Very high | 96.5 | Very high | 163 Ų | 163 | 42.9 Ų | 42.9 | 76% | 0.762 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -64.9 | -48.5 | 175.7 | -65.3 | 179.8 | -177.7 | 0 | 0 | 111.3 | L296 G297 C298 | E294-L296 VanDerWaalsContact C-N 3.32Å; E294-L296 PolarHBondContact O-N 3.36Å; E294-G297 WeakPolarHBondContact O-CA 3.22Å; E294-G297 PolarHBondContact O-N 3.38Å; E294-C298 PolarHBondContact O-N 3.47Å |
| 295 | D | 94.8 | Very high | 96.4 | Very high | 31 Ų | 31 | 47.9 Ų | 47.9 | 17% | 0.166 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 177.8 | -72.6 | -10.8 | 0 | 0 | 0 | 111.8 | S231 M287 K292 G297 C298 M299 | S231-D295 PolarHBondContact OG-OD2 3.48Å; M287-D295 HydrophobicContact CE-CB 3.97Å; M287-D295 HydrophobicContact CG-CB 4.28Å; M287-D295 HydrophobicContact SD-CB 3.78Å; K292-D295 HydrophobicContact CB-CB 4.1Å; K292-D295 WeakPolarHBondContact CD-OD2 3.49Å; D295-G297 VanDerWaalsContact C-N 3.31Å; D295-G297 PolarHBondContact O-N 3.39Å; D295-C298 PolarHBondContact O-N 3.02Å; D295-M299 PolarHBondContact O-N 3.4Å |
| 296 | L | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 172.7 | -73.5 | 170.5 | 0 | 0 | 0 | 111.9 | L284 M287 L288 K292 E294 M299 Y300 F355 F360 | L284-L296 HydrophobicContact CD1-CD2 3.48Å; L284-L296 VanDerWaalsContact CD1-CD2 3.48Å; M287-L296 HydrophobicContact CB-CD1 4.48Å; M287-L296 HydrophobicContact CB-CD2 3.62Å; M287-L296 HydrophobicContact CB-CG 3.79Å; M287-L296 HydrophobicContact SD-CD2 4.1Å; M287-L296 HydrophobicContact SD-CG 4.41Å; L288-L296 HydrophobicContact CD2-CD1 3.89Å; L288-L296 HydrophobicContact CD2-CD2 4.28Å; L288-L296 HydrophobicContact CG-CD2 4.3Å; K292-L296 WeakPolarHBondContact O-CG 3.31Å; K292-L296 PolarHBondContact O-N 2.79Å; K292-L296 VanDerWaalsContact O-N 3.11Å; E294-L296 VanDerWaalsContact C-N 3.32Å; E294-L296 PolarHBondContact O-N 3.36Å; L296-M299 PolarHBondContact O-N 3.36Å; L296-Y300 WeakPolarHBondContact O-CB 3.32Å; L296-Y300 PolarHBondContact O-N 2.94Å; L296-F355 HydrophobicContact CD1-CD1 3.98Å; L296-F355 HydrophobicContact CD1-CE1 4.19Å; L296-F355 HydrophobicContact CD1-CG 4.34Å; L296-F360 HydrophobicContact CB-CE1 4.21Å; L296-F360 HydrophobicContact CD2-CE1 4.34Å; L296-F360 HydrophobicContact CD2-CZ 4.26Å |
| 297 | G | 97 | Very high | 96.3 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T293 E294 D295 Y300 K301 S359 | T293-G297 PolarHBondContact O-N 3.03Å; E294-G297 WeakPolarHBondContact O-CA 3.22Å; E294-G297 PolarHBondContact O-N 3.38Å; D295-G297 VanDerWaalsContact C-N 3.31Å; D295-G297 PolarHBondContact O-N 3.39Å; G297-Y300 PolarHBondContact O-N 3.5Å; G297-K301 WeakPolarHBondContact O-CG 3.49Å; G297-K301 PolarHBondContact O-N 3Å; G297-S359 WeakPolarHBondContact CA-O 3.44Å |
| 298 | C | 96 | Very high | 96.2 | Very high | 37 Ų | 37 | 54.5 Ų | 54.5 | 25% | 0.25 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 172.9 | -70.9 | 0 | 0 | 0 | 0 | 111.5 | I234 E294 D295 Y300 K301 L302 | I234-C298 HydrophobicContact CG2-CB 3.92Å; E294-C298 PolarHBondContact O-N 3.47Å; D295-C298 PolarHBondContact O-N 3.02Å; C298-Y300 PolarHBondContact O-N 3.04Å; C298-K301 PolarHBondContact O-N 3.4Å; C298-L302 WeakPolarHBondContact O-CB 3.44Å; C298-L302 PolarHBondContact O-N 3.46Å |
| 299 | M | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 176.6 | -171.7 | 178.7 | -76.5 | 0 | 0 | 111.3 | A230 I234 I276 V277 L284 M287 D295 L296 L302 F303 M313 | A230-M299 HydrophobicContact CB-CE 4.44Å; I234-M299 HydrophobicContact CD1-CB 3.77Å; I234-M299 HydrophobicContact CD1-CE 3.82Å; I234-M299 HydrophobicContact CD1-CG 4.01Å; I276-M299 HydrophobicContact CG2-CE 4.14Å; V277-M299 HydrophobicContact CG2-SD 4.3Å; L284-M299 HydrophobicContact CB-SD 4.09Å; L284-M299 HydrophobicContact CD1-SD 3.8Å; M287-M299 HydrophobicContact CE-CE 3.55Å; M287-M299 HydrophobicContact SD-CE 3.8Å; D295-M299 PolarHBondContact O-N 3.4Å; L296-M299 PolarHBondContact O-N 3.36Å; M299-L302 PolarHBondContact O-N 2.91Å; M299-F303 HydrophobicContact CG-CD2 3.89Å; M299-F303 HydrophobicContact CG-CE2 3.9Å; M299-F303 WeakPolarHBondContact O-CB 3.32Å; M299-F303 VanDerWaalsContact O-CD2 3.22Å; M299-F303 WeakPolarHBondContact O-CD2 3.43Å; M299-F303 PolarHBondContact O-N 2.91Å; M299-M313 HydrophobicContact CB-CE 4.16Å; M299-M313 HydrophobicContact CG-CE 3.76Å; M299-M313 HydrophobicContact CG-SD 4.08Å; M299-M313 HydrophobicContact SD-CE 3.99Å |
| 300 | Y | 97.9 | Very high | 96.2 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -49.9 | 177.3 | 171.8 | -96 | 0 | 0 | 0 | 112.3 | L296 G297 C298 L302 F303 S304 L310 F360 N361 D363 F366 | L296-Y300 WeakPolarHBondContact O-CB 3.32Å; L296-Y300 PolarHBondContact O-N 2.94Å; G297-Y300 PolarHBondContact O-N 3.5Å; C298-Y300 PolarHBondContact O-N 3.04Å; Y300-L302 VanDerWaalsContact C-N 3.31Å; Y300-L302 PolarHBondContact O-N 3.31Å; Y300-F303 PolarHBondContact O-N 3.09Å; Y300-S304 PolarHBondContact O-N 2.87Å; Y300-S304 PolarHBondContact O-OG 3.4Å; Y300-L310 HydrophobicContact CD2-CD2 3.64Å; Y300-L310 HydrophobicContact CE2-CD1 4.1Å; Y300-L310 HydrophobicContact CE2-CD2 3.63Å; Y300-F360 HydrophobicContact CD2-CB 4.27Å; Y300-F360 HydrophobicContact CD2-CD1 4.1Å; Y300-F360 HydrophobicContact CE2-CB 4.47Å; Y300-F360 HydrophobicContact CG-CD1 4.3Å; Y300-N361 HydrophobicContact CE1-CB 4.08Å; Y300-D363 HydrophobicContact CE2-CB 3.97Å; Y300-D363 PolarHBondContact OH-OD2 3.2Å; Y300-F366 HydrophobicContact CD2-CE2 4.02Å; Y300-F366 HydrophobicContact CD2-CZ 4.3Å; Y300-F366 HydrophobicContact CE2-CD2 4.45Å; Y300-F366 HydrophobicContact CE2-CE2 4.01Å |
| 301 | K | 96.5 | Very high | 96.3 | Very high | 135 Ų | 135 | 51.5 Ų | 51.5 | 59% | 0.587 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.1 | -40.4 | 178.2 | -72.8 | 174.9 | -177.8 | 179.1 | 0 | 112.3 | G297 C298 S304 | G297-K301 WeakPolarHBondContact O-CG 3.49Å; G297-K301 PolarHBondContact O-N 3Å; C298-K301 PolarHBondContact O-N 3.4Å; K301-S304 PolarHBondContact O-OG 3.11Å |
| 302 | L | 96.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -47.2 | 178.6 | -172.8 | 71.3 | 0 | 0 | 0 | 111 | I234 V237 I269 C298 M299 Y300 S304 R305 | I234-L302 HydrophobicContact CB-CD2 4.18Å; I234-L302 HydrophobicContact CG1-CD2 3.79Å; I234-L302 HydrophobicContact CG2-CB 4.29Å; I234-L302 HydrophobicContact CG2-CD2 4.02Å; V237-L302 HydrophobicContact CB-CD1 4.21Å; V237-L302 HydrophobicContact CB-CD2 4.42Å; V237-L302 HydrophobicContact CG1-CD1 3.75Å; V237-L302 HydrophobicContact CG1-CD2 4.49Å; I269-L302 HydrophobicContact CD1-CD1 3.44Å; I269-L302 VanDerWaalsContact CD1-CD1 3.44Å; I269-L302 HydrophobicContact CD1-CG 3.77Å; I269-L302 HydrophobicContact CG1-CD1 3.98Å; I269-L302 HydrophobicContact CG1-CD2 4.25Å; I269-L302 HydrophobicContact CG1-CG 4.05Å; I269-L302 HydrophobicContact CG2-CG 4.35Å; C298-L302 WeakPolarHBondContact O-CB 3.44Å; C298-L302 PolarHBondContact O-N 3.46Å; M299-L302 PolarHBondContact O-N 2.91Å; Y300-L302 VanDerWaalsContact C-N 3.31Å; Y300-L302 PolarHBondContact O-N 3.31Å; L302-S304 VanDerWaalsContact C-N 3.3Å; L302-S304 PolarHBondContact O-N 3.4Å; L302-R305 VanDerWaalsContact O-CB 3.32Å; L302-R305 WeakPolarHBondContact O-CB 3.48Å; L302-R305 PolarHBondContact O-N 3.46Å |
| 303 | F | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.3 | -19.7 | -176.8 | -82 | -119.1 | 0 | 0 | 0 | 113 | M273 I276 V277 M299 Y300 R305 V306 G309 L310 M313 | M273-F303 HydrophobicContact CB-CE1 3.76Å; M273-F303 HydrophobicContact CB-CZ 4.36Å; M273-F303 HydrophobicContact CG-CD1 4.34Å; M273-F303 HydrophobicContact CG-CE1 3.88Å; M273-F303 HydrophobicContact CG-CZ 4.48Å; I276-F303 HydrophobicContact CB-CE2 4.47Å; I276-F303 HydrophobicContact CB-CZ 4.05Å; I276-F303 HydrophobicContact CD1-CZ 4.42Å; I276-F303 HydrophobicContact CG2-CE2 3.98Å; I276-F303 HydrophobicContact CG2-CZ 3.99Å; V277-F303 HydrophobicContact CG2-CD1 4.26Å; V277-F303 HydrophobicContact CG2-CE1 3.37Å; V277-F303 HydrophobicContact CG2-CZ 3.56Å; M299-F303 HydrophobicContact CG-CD2 3.89Å; M299-F303 HydrophobicContact CG-CE2 3.9Å; M299-F303 WeakPolarHBondContact O-CB 3.32Å; M299-F303 VanDerWaalsContact O-CD2 3.22Å; M299-F303 WeakPolarHBondContact O-CD2 3.43Å; M299-F303 PolarHBondContact O-N 2.91Å; Y300-F303 PolarHBondContact O-N 3.09Å; F303-R305 PolarHBondContact O-N 3.39Å; F303-V306 PolarHBondContact O-N 3.01Å; F303-G309 WeakPolarHBondContact CD1-O 3.16Å; F303-G309 WeakPolarHBondContact O-CA 3.1Å; F303-L310 HydrophobicContact CB-CD2 4.36Å; F303-M313 HydrophobicContact CB-CG 4.24Å; F303-M313 HydrophobicContact CB-SD 3.49Å; F303-M313 WeakPolarHBondContact CB-SD 3.35Å; F303-M313 HydrophobicContact CD1-CG 3.67Å; F303-M313 HydrophobicContact CD1-SD 4.03Å; F303-M313 HydrophobicContact CD2-SD 4.33Å; F303-M313 HydrophobicContact CE1-CG 4.22Å; F303-M313 HydrophobicContact CG-CG 4Å; F303-M313 HydrophobicContact CG-SD 3.7Å |
| 304 | S | 97 | Very high | 96.5 | Very high | 64 Ų | 64 | 46.3 Ų | 46.3 | 45% | 0.448 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.5 | 171.3 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | Y300 K301 L302 | Y300-S304 PolarHBondContact O-N 2.87Å; Y300-S304 PolarHBondContact O-OG 3.4Å; K301-S304 PolarHBondContact O-OG 3.11Å; L302-S304 VanDerWaalsContact C-N 3.3Å; L302-S304 PolarHBondContact O-N 3.4Å |
| 305 | R | 96 | Very high | 96.6 | Very high | 105 Ų | 105 | 43.7 Ų | 43.7 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -26.6 | 178.7 | -66.8 | 177 | 167.9 | -87.1 | 0.8 | 113.3 | E265 L302 F303 | E265-R305 WeakPolarHBondContact OE1-CB 3.36Å; E265-R305 IonicContact OE1-NH1 2.76Å; E265-R305 PolarHBondContact OE1-NH1 3.45Å; L302-R305 VanDerWaalsContact O-CB 3.32Å; L302-R305 WeakPolarHBondContact O-CB 3.48Å; L302-R305 PolarHBondContact O-N 3.46Å; F303-R305 PolarHBondContact O-N 3.39Å |
| 306 | V | 96.3 | Very high | 96.7 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -113.3 | 144.5 | -172.1 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | E265 I269 S270 M273 F303 N308 G309 | E265-V306 HydrophobicContact CB-CG1 4Å; I269-V306 HydrophobicContact CB-CG1 4.04Å; I269-V306 HydrophobicContact CD1-CG1 4.28Å; I269-V306 HydrophobicContact CG2-CG1 4.04Å; I269-V306 HydrophobicContact CG2-CG2 3.75Å; S270-V306 VanDerWaalsContact OG-CG1 3.31Å; S270-V306 WeakPolarHBondContact OG-CG1 3.32Å; M273-V306 HydrophobicContact CG-CG2 4.46Å; M273-V306 HydrophobicContact SD-CG2 3.71Å; F303-V306 PolarHBondContact O-N 3.01Å; V306-N308 PolarHBondContact O-N 2.92Å; V306-G309 PolarHBondContact O-N 3.44Å; V306-G309 VanDerWaalsContact O-N 3.16Å |
| 307 | P | 94.8 | Very high | 96.8 | Very high | 105 Ų | 105 | 43 Ų | 43 | 68% | 0.682 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 139.6 | 171.7 | -23 | 33.1 | 0 | 0 | 0 | 111.4 | G309 | P307-G309 PolarHBondContact O-N 3.24Å; P307-G309 VanDerWaalsContact O-N 3.12Å |
| 308 | N | 94.9 | Very high | 96.9 | Very high | 106 Ų | 106 | 43.4 Ų | 43.4 | 57% | 0.567 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 2.6 | -177 | -53.7 | -59.8 | 0 | 0 | 0 | 116.3 | V306 K311 T312 | V306-N308 PolarHBondContact O-N 2.92Å; N308-K311 PolarHBondContact O-N 3.15Å; N308-T312 PolarHBondContact O-N 3.45Å; N308-T312 PolarHBondContact O-OG1 3.04Å |
| 309 | G | 96.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -56.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M273 F303 V306 P307 K311 T312 M313 | M273-G309 VanDerWaalsContact SD-CA 3.55Å; F303-G309 WeakPolarHBondContact CD1-O 3.16Å; F303-G309 WeakPolarHBondContact O-CA 3.1Å; V306-G309 PolarHBondContact O-N 3.44Å; V306-G309 VanDerWaalsContact O-N 3.16Å; P307-G309 PolarHBondContact O-N 3.24Å; P307-G309 VanDerWaalsContact O-N 3.12Å; G309-K311 PolarHBondContact O-N 3.28Å; G309-T312 WeakPolarHBondContact O-CB 3.49Å; G309-T312 PolarHBondContact O-N 3.26Å; G309-T312 VanDerWaalsContact O-N 3.12Å; G309-M313 PolarHBondContact O-N 3.46Å; G309-M313 VanDerWaalsContact O-N 3.09Å |
| 310 | L | 97.4 | Very high | 97 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -33.5 | 177.8 | -60 | -173.5 | 0 | 0 | 0 | 113 | Y300 F303 M313 C314 L365 F366 | Y300-L310 HydrophobicContact CD2-CD2 3.64Å; Y300-L310 HydrophobicContact CE2-CD1 4.1Å; Y300-L310 HydrophobicContact CE2-CD2 3.63Å; F303-L310 HydrophobicContact CB-CD2 4.36Å; L310-M313 HydrophobicContact CD2-SD 4.43Å; L310-M313 PolarHBondContact O-N 3.48Å; L310-C314 WeakPolarHBondContact O-CB 3.35Å; L310-C314 PolarHBondContact O-N 3.36Å; L310-C314 PolarHBondContact O-SG 3Å; L310-L365 HydrophobicContact CB-CD2 4.44Å; L310-F366 HydrophobicContact CB-CE2 4.23Å; L310-F366 HydrophobicContact CD2-CE2 4.24Å |
| 311 | K | 97 | Very high | 97 | Very high | 110 Ų | 110 | 44.5 Ų | 44.5 | 48% | 0.478 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 175.7 | -175.4 | -179.7 | 174.5 | -173.2 | 0 | 111.4 | N308 G309 M313 C314 E315 | N308-K311 PolarHBondContact O-N 3.15Å; G309-K311 PolarHBondContact O-N 3.28Å; K311-M313 VanDerWaalsContact C-N 3.33Å; K311-M313 PolarHBondContact O-N 3.43Å; K311-C314 WeakPolarHBondContact O-CB 3.21Å; K311-C314 PolarHBondContact O-N 3Å; K311-C314 VanDerWaalsContact O-N 3.15Å; K311-E315 WeakPolarHBondContact CE-OE1 3.41Å; K311-E315 WeakPolarHBondContact O-CG 3.19Å; K311-E315 PolarHBondContact O-N 2.8Å |
| 312 | T | 97.3 | Very high | 97.1 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 177.5 | -54 | 0 | 0 | 0 | 0 | 111.2 | M273 K274 N308 G309 E315 C316 | M273-T312 HydrophobicContact CB-CG2 4.29Å; K274-T312 HydrophobicContact CG-CG2 4.21Å; N308-T312 PolarHBondContact O-N 3.45Å; N308-T312 PolarHBondContact O-OG1 3.04Å; G309-T312 WeakPolarHBondContact O-CB 3.49Å; G309-T312 PolarHBondContact O-N 3.26Å; G309-T312 VanDerWaalsContact O-N 3.12Å; T312-E315 PolarHBondContact O-N 3.42Å; T312-C316 PolarHBondContact O-N 2.85Å |
| 313 | M | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 173.4 | -70.3 | -179.8 | 70.7 | 0 | 0 | 112.1 | V277 L284 M299 F303 G309 L310 K311 E315 C316 M317 F360 F366 | V277-M313 HydrophobicContact CG2-CG 4.01Å; L284-M313 HydrophobicContact CD1-CE 3.93Å; L284-M313 HydrophobicContact CD2-CB 4.44Å; L284-M313 VanDerWaalsContact CD2-O 3.24Å; L284-M313 WeakPolarHBondContact CD2-O 3.49Å; M299-M313 HydrophobicContact CB-CE 4.16Å; M299-M313 HydrophobicContact CG-CE 3.76Å; M299-M313 HydrophobicContact CG-SD 4.08Å; M299-M313 HydrophobicContact SD-CE 3.99Å; F303-M313 HydrophobicContact CB-CG 4.24Å; F303-M313 HydrophobicContact CB-SD 3.49Å; F303-M313 WeakPolarHBondContact CB-SD 3.35Å; F303-M313 HydrophobicContact CD1-CG 3.67Å; F303-M313 HydrophobicContact CD1-SD 4.03Å; F303-M313 HydrophobicContact CD2-SD 4.33Å; F303-M313 HydrophobicContact CE1-CG 4.22Å; F303-M313 HydrophobicContact CG-CG 4Å; F303-M313 HydrophobicContact CG-SD 3.7Å; G309-M313 PolarHBondContact O-N 3.46Å; G309-M313 VanDerWaalsContact O-N 3.09Å; L310-M313 HydrophobicContact CD2-SD 4.43Å; L310-M313 PolarHBondContact O-N 3.48Å; K311-M313 VanDerWaalsContact C-N 3.33Å; K311-M313 PolarHBondContact O-N 3.43Å; M313-E315 VanDerWaalsContact C-N 3.35Å; M313-E315 PolarHBondContact O-N 3.32Å; M313-C316 PolarHBondContact O-N 3.41Å; M313-M317 WeakPolarHBondContact O-CB 3.37Å; M313-M317 PolarHBondContact O-N 3.45Å; M313-F360 HydrophobicContact CE-CE1 4.15Å; M313-F366 HydrophobicContact CB-CE1 4.32Å; M313-F366 HydrophobicContact CB-CZ 3.84Å; M313-F366 HydrophobicContact CE-CZ 4.28Å; M313-F366 HydrophobicContact SD-CZ 4.44Å |
| 314 | C | 97.3 | Very high | 97 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 178.8 | -77.9 | 0 | 0 | 0 | 0 | 112.4 | L310 K311 M317 S318 L365 F366 | L310-C314 WeakPolarHBondContact O-CB 3.35Å; L310-C314 PolarHBondContact O-N 3.36Å; L310-C314 PolarHBondContact O-SG 3Å; K311-C314 WeakPolarHBondContact O-CB 3.21Å; K311-C314 PolarHBondContact O-N 3Å; K311-C314 VanDerWaalsContact O-N 3.15Å; C314-M317 PolarHBondContact O-N 2.9Å; C314-S318 WeakPolarHBondContact O-CB 3.23Å; C314-S318 PolarHBondContact O-N 2.93Å; C314-L365 HydrophobicContact CB-CD2 4.39Å; C314-L365 HydrophobicContact CB-CG 4.47Å; C314-F366 VanDerWaalsContact SG-CD2 3.51Å; C314-F366 VanDerWaalsContact SG-CE2 3.53Å |
| 315 | E | 97.6 | Very high | 97 | Very high | 107 Ų | 107 | 47.5 Ų | 47.5 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 177.8 | -73.6 | 172.3 | 178.7 | 0 | 0 | 111.5 | K311 T312 M313 S318 S319 | K311-E315 WeakPolarHBondContact CE-OE1 3.41Å; K311-E315 WeakPolarHBondContact O-CG 3.19Å; K311-E315 PolarHBondContact O-N 2.8Å; T312-E315 PolarHBondContact O-N 3.42Å; M313-E315 VanDerWaalsContact C-N 3.35Å; M313-E315 PolarHBondContact O-N 3.32Å; E315-S318 PolarHBondContact O-N 3.12Å; E315-S319 PolarHBondContact O-N 3.36Å |
| 316 | C | 97.5 | Very high | 96.9 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 12% | 0.122 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | V277 L284 T312 M313 S318 S319 Y320 | V277-C316 HydrophobicContact CG1-CB 3.29Å; V277-C316 WeakPolarHBondContact CG1-SG 3.31Å; L284-C316 HydrophobicContact CD2-CB 3.81Å; T312-C316 PolarHBondContact O-N 2.85Å; M313-C316 PolarHBondContact O-N 3.41Å; C316-S318 VanDerWaalsContact C-N 3.31Å; C316-S318 PolarHBondContact O-N 2.8Å; C316-S319 PolarHBondContact O-N 3.39Å; C316-Y320 PolarHBondContact O-N 2.91Å; C316-Y320 VanDerWaalsContact O-N 3.12Å |
| 317 | M | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 175 | -179.3 | -171.3 | 65.6 | 0 | 0 | 111.1 | L284 L288 M313 C314 Y320 L321 F352 F360 F366 T369 I370 | L284-M317 HydrophobicContact CD2-CB 4.09Å; L288-M317 HydrophobicContact CD1-CB 4.42Å; L288-M317 HydrophobicContact CD1-CG 4.1Å; M313-M317 WeakPolarHBondContact O-CB 3.37Å; M313-M317 PolarHBondContact O-N 3.45Å; C314-M317 PolarHBondContact O-N 2.9Å; M317-Y320 PolarHBondContact O-N 3.44Å; M317-L321 VanDerWaalsContact O-CB 3.31Å; M317-L321 WeakPolarHBondContact O-CB 3.24Å; M317-L321 PolarHBondContact O-N 2.69Å; M317-F352 HydrophobicContact CG-CE1 3.79Å; M317-F352 HydrophobicContact SD-CD1 4.25Å; M317-F352 HydrophobicContact SD-CE1 4.11Å; M317-F360 HydrophobicContact SD-CE2 3.88Å; M317-F366 HydrophobicContact CE-CD1 3.64Å; M317-F366 HydrophobicContact CE-CE1 4.33Å; M317-F366 HydrophobicContact CE-CG 4.43Å; M317-F366 HydrophobicContact SD-CD1 3.74Å; M317-F366 HydrophobicContact SD-CE1 4.22Å; M317-T369 HydrophobicContact CE-CG2 4.03Å; M317-I370 HydrophobicContact CE-CD1 4.3Å; M317-I370 HydrophobicContact CE-CG1 3.77Å; M317-I370 HydrophobicContact SD-CD1 4.33Å; M317-I370 HydrophobicContact SD-CG1 4.22Å |
| 318 | S | 98.2 | Very high | 96.6 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | -178.6 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | C314 E315 C316 Y320 L321 R322 D373 | C314-S318 WeakPolarHBondContact O-CB 3.23Å; C314-S318 PolarHBondContact O-N 2.93Å; E315-S318 PolarHBondContact O-N 3.12Å; C316-S318 VanDerWaalsContact C-N 3.31Å; C316-S318 PolarHBondContact O-N 2.8Å; S318-Y320 VanDerWaalsContact C-N 3.34Å; S318-Y320 PolarHBondContact O-N 3.46Å; S318-L321 PolarHBondContact O-N 2.67Å; S318-R322 VanDerWaalsContact O-CB 3.29Å; S318-R322 WeakPolarHBondContact O-CB 3.37Å; S318-R322 VanDerWaalsContact O-CG 3.22Å; S318-R322 WeakPolarHBondContact O-CG 3.27Å; S318-R322 PolarHBondContact O-N 3.31Å; S318-R322 PolarHBondContact OG-NE 3.34Å; S318-D373 WeakPolarHBondContact CA-OD2 3.44Å; S318-D373 WeakPolarHBondContact CB-OD2 3.36Å; S318-D373 PolarHBondContact OG-OD1 3.34Å; S318-D373 PolarHBondContact OG-OD2 3.03Å |
| 319 | S | 97.8 | Very high | 96.4 | Very high | 81 Ų | 81 | 42 Ų | 42 | 57% | 0.566 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -56 | -49.9 | 174.7 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | E315 C316 R322 E323 | E315-S319 PolarHBondContact O-N 3.36Å; C316-S319 PolarHBondContact O-N 3.39Å; S319-R322 PolarHBondContact O-N 3.45Å; S319-E323 PolarHBondContact O-N 3.01Å |
| 320 | Y | 97.6 | Very high | 95.9 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | 178.5 | 171.5 | -110.4 | 0 | 0 | 0 | 113.1 | V285 L288 K289 C316 M317 S318 R322 E323 Q324 F352 | V285-Y320 HydrophobicContact CG1-CD2 3.66Å; V285-Y320 HydrophobicContact CG1-CE2 4.01Å; V285-Y320 HydrophobicContact CG1-CG 4.08Å; V285-Y320 HydrophobicContact CG2-CG 4.34Å; L288-Y320 HydrophobicContact CB-CD1 4.18Å; L288-Y320 HydrophobicContact CB-CE1 3.82Å; L288-Y320 HydrophobicContact CD1-CD1 3.77Å; L288-Y320 HydrophobicContact CD1-CE1 4.25Å; K289-Y320 HydrophobicContact CD-CE2 4.28Å; K289-Y320 VanDerWaalsContact CE-CE2 3.44Å; K289-Y320 HydrophobicContact CG-CE2 3.84Å; K289-Y320 VanDerWaalsContact CG-OH 3.23Å; K289-Y320 WeakPolarHBondContact CG-OH 3.33Å; C316-Y320 PolarHBondContact O-N 2.91Å; C316-Y320 VanDerWaalsContact O-N 3.12Å; M317-Y320 PolarHBondContact O-N 3.44Å; S318-Y320 VanDerWaalsContact C-N 3.34Å; S318-Y320 PolarHBondContact O-N 3.46Å; Y320-R322 VanDerWaalsContact C-N 3.34Å; Y320-R322 PolarHBondContact O-N 2.89Å; Y320-E323 WeakPolarHBondContact O-CB 3.34Å; Y320-E323 PolarHBondContact O-N 2.92Å; Y320-Q324 HydrophobicContact CD2-CG 4.09Å; Y320-Q324 HydrophobicContact CE1-CG 4.14Å; Y320-Q324 HydrophobicContact CE2-CG 3.56Å; Y320-Q324 WeakPolarHBondContact O-CG 3.37Å; Y320-Q324 PolarHBondContact O-N 3.45Å; Y320-F352 HydrophobicContact CD1-CZ 4.04Å; Y320-F352 HydrophobicContact CE1-CZ 4.02Å |
| 321 | L | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 179 | 174.6 | 56.6 | 0 | 0 | 0 | 111.3 | M317 S318 Q324 G325 L348 F352 I370 D373 F374 F377 | M317-L321 VanDerWaalsContact O-CB 3.31Å; M317-L321 WeakPolarHBondContact O-CB 3.24Å; M317-L321 PolarHBondContact O-N 2.69Å; S318-L321 PolarHBondContact O-N 2.67Å; L321-Q324 PolarHBondContact O-N 2.99Å; L321-G325 PolarHBondContact O-N 3.2Å; L321-L348 HydrophobicContact CD1-CD1 4.35Å; L321-L348 HydrophobicContact CD1-CD2 3.97Å; L321-L348 HydrophobicContact CD1-CG 4.15Å; L321-F352 HydrophobicContact CB-CE1 3.87Å; L321-F352 HydrophobicContact CB-CZ 3.8Å; L321-F352 HydrophobicContact CD1-CD1 4.28Å; L321-F352 HydrophobicContact CD1-CD2 3.82Å; L321-F352 HydrophobicContact CD1-CE1 4.06Å; L321-F352 HydrophobicContact CD1-CE2 3.59Å; L321-F352 HydrophobicContact CD1-CG 4.15Å; L321-F352 HydrophobicContact CD1-CZ 3.71Å; L321-F352 HydrophobicContact CD2-CD1 3.98Å; L321-F352 HydrophobicContact CD2-CE1 4Å; L321-F352 HydrophobicContact CD2-CG 4.41Å; L321-F352 HydrophobicContact CD2-CZ 4.47Å; L321-F352 HydrophobicContact CG-CE1 4.18Å; L321-F352 HydrophobicContact CG-CZ 4.17Å; L321-I370 HydrophobicContact CD2-CB 4.36Å; L321-I370 HydrophobicContact CD2-CG1 4.22Å; L321-I370 HydrophobicContact CD2-CG2 4.22Å; L321-D373 HydrophobicContact CD2-CB 3.77Å; L321-D373 HydrophobicContact CG-CB 4.08Å; L321-F374 HydrophobicContact CD1-CE2 4.01Å; L321-F374 HydrophobicContact CD2-CD2 4.39Å; L321-F374 HydrophobicContact CD2-CE2 4.26Å; L321-F377 HydrophobicContact CD1-CE1 4.13Å; L321-F377 HydrophobicContact CD1-CZ 4.45Å; L321-F377 HydrophobicContact CG-CE1 4.14Å |
| 322 | R | 97.8 | Very high | 92.3 | Very high | 81 Ų | 81 | 51.3 Ų | 51.3 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 175.2 | -74 | 178.5 | -178.4 | -123 | -8.7 | 112.1 | S318 S319 Y320 K326 D373 Y376 | S318-R322 VanDerWaalsContact O-CB 3.29Å; S318-R322 WeakPolarHBondContact O-CB 3.37Å; S318-R322 VanDerWaalsContact O-CG 3.22Å; S318-R322 WeakPolarHBondContact O-CG 3.27Å; S318-R322 PolarHBondContact O-N 3.31Å; S318-R322 PolarHBondContact OG-NE 3.34Å; S319-R322 PolarHBondContact O-N 3.45Å; Y320-R322 VanDerWaalsContact C-N 3.34Å; Y320-R322 PolarHBondContact O-N 2.89Å; R322-K326 VanDerWaalsContact O-CB 3.31Å; R322-K326 WeakPolarHBondContact O-CB 3.43Å; R322-K326 WeakPolarHBondContact O-CG 3.21Å; R322-K326 PolarHBondContact O-N 2.82Å; R322-D373 HydrophobicContact CG-CB 4.16Å; R322-D373 IonicContact CZ-OD1 3.66Å; R322-D373 IonicContact NE-OD1 2.76Å; R322-D373 PolarHBondContact NE-OD1 3.03Å; R322-D373 IonicContact NH2-OD1 2.67Å; R322-D373 PolarHBondContact NH2-OD1 2.88Å; R322-Y376 HydrophobicContact CG-CD1 4.01Å; R322-Y376 HydrophobicContact CG-CE1 4.34Å |
| 323 | E | 96.5 | Very high | 89.9 | Confident | 121 Ų | 121 | 53 Ų | 53 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.2 | -50.4 | 175.4 | -172.6 | -175 | 175.8 | 0 | 0 | 111.2 | S319 Y320 G325 K326 A327 | S319-E323 PolarHBondContact O-N 3.01Å; Y320-E323 WeakPolarHBondContact O-CB 3.34Å; Y320-E323 PolarHBondContact O-N 2.92Å; E323-G325 VanDerWaalsContact C-N 3.34Å; E323-G325 PolarHBondContact O-N 2.72Å; E323-K326 PolarHBondContact O-N 3.02Å; E323-A327 PolarHBondContact O-N 2.99Å |
| 324 | Q | 96.2 | Very high | 87.5 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 176.9 | -66.6 | -67.9 | 95.6 | 0 | 0 | 111.8 | Y320 L321 A327 L328 L348 | Y320-Q324 HydrophobicContact CD2-CG 4.09Å; Y320-Q324 HydrophobicContact CE1-CG 4.14Å; Y320-Q324 HydrophobicContact CE2-CG 3.56Å; Y320-Q324 WeakPolarHBondContact O-CG 3.37Å; Y320-Q324 PolarHBondContact O-N 3.45Å; L321-Q324 PolarHBondContact O-N 2.99Å; Q324-A327 PolarHBondContact O-N 2.94Å; Q324-L328 PolarHBondContact O-N 2.67Å; Q324-L348 HydrophobicContact CB-CD1 4.4Å; Q324-L348 HydrophobicContact CB-CD2 4.32Å |
| 325 | G | 95.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L321 E323 A327 L328 V329 | L321-G325 PolarHBondContact O-N 3.2Å; E323-G325 VanDerWaalsContact C-N 3.34Å; E323-G325 PolarHBondContact O-N 2.72Å; G325-A327 PolarHBondContact O-N 3.42Å; G325-L328 PolarHBondContact O-N 3.44Å; G325-V329 WeakPolarHBondContact O-CG1 3.45Å; G325-V329 WeakPolarHBondContact O-CG2 3.35Å; G325-V329 PolarHBondContact O-N 2.74Å |
| 326 | K | 94.6 | Very high | 84.4 | Confident | 86 Ų | 86 | 64 Ų | 64 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.5 | -48.1 | 174.6 | -79.6 | 176.6 | -173.1 | -175.3 | 0 | 111.6 | R322 E323 L328 V329 S330 Y376 L380 | R322-K326 VanDerWaalsContact O-CB 3.31Å; R322-K326 WeakPolarHBondContact O-CB 3.43Å; R322-K326 WeakPolarHBondContact O-CG 3.21Å; R322-K326 PolarHBondContact O-N 2.82Å; E323-K326 PolarHBondContact O-N 3.02Å; K326-L328 PolarHBondContact O-N 2.73Å; K326-V329 WeakPolarHBondContact O-CG2 3.39Å; K326-V329 PolarHBondContact O-N 2.83Å; K326-V329 VanDerWaalsContact O-N 3.11Å; K326-S330 WeakPolarHBondContact O-CB 3.29Å; K326-S330 PolarHBondContact O-N 3.34Å; K326-S330 PolarHBondContact O-OG 2.79Å; K326-Y376 WeakPolarHBondContact CE-OH 3.47Å; K326-Y376 PolarHBondContact NZ-OH 3.18Å; K326-L380 HydrophobicContact CD-CD1 4.44Å; K326-L380 HydrophobicContact CG-CD1 3.71Å |
| 327 | A | 92.6 | Very high | 83.8 | Confident | 64 Ų | 64 | 66 Ų | 66 | 53% | 0.529 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.1 | -37.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E323 Q324 G325 K336 | E323-A327 PolarHBondContact O-N 2.99Å; Q324-A327 PolarHBondContact O-N 2.94Å; G325-A327 PolarHBondContact O-N 3.42Å; A327-K336 PolarHBondContact O-NZ 3.39Å |
| 328 | L | 91.9 | Very high | 83.3 | Confident | 57 Ų | 57 | 66.7 Ų | 66.7 | 30% | 0.298 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 175.3 | -69.3 | 174.4 | 0 | 0 | 0 | 112.1 | Q324 G325 K326 K336 L345 L348 | Q324-L328 PolarHBondContact O-N 2.67Å; G325-L328 PolarHBondContact O-N 3.44Å; K326-L328 PolarHBondContact O-N 2.73Å; L328-K336 PolarHBondContact O-NZ 3.26Å; L328-L345 HydrophobicContact CB-CD2 4.25Å; L328-L345 HydrophobicContact CD1-CD2 4.1Å; L328-L348 HydrophobicContact CD1-CB 4.1Å; L328-L348 HydrophobicContact CD1-CD2 3.72Å |
| 329 | V | 91.4 | Very high | 82.8 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -86.2 | -20.8 | -172.5 | -54.9 | 0 | 0 | 0 | 0 | 115.1 | G325 K326 Y341 L345 F377 L380 N381 | G325-V329 WeakPolarHBondContact O-CG1 3.45Å; G325-V329 WeakPolarHBondContact O-CG2 3.35Å; G325-V329 PolarHBondContact O-N 2.74Å; K326-V329 WeakPolarHBondContact O-CG2 3.39Å; K326-V329 PolarHBondContact O-N 2.83Å; K326-V329 VanDerWaalsContact O-N 3.11Å; V329-Y341 HydrophobicContact CB-CE2 4.24Å; V329-Y341 WeakPolarHBondContact CB-OH 3.45Å; V329-Y341 HydrophobicContact CG1-CE2 4.43Å; V329-Y341 VanDerWaalsContact CG1-OH 3.29Å; V329-Y341 WeakPolarHBondContact CG1-OH 3.34Å; V329-L345 HydrophobicContact CG1-CD1 4.48Å; V329-L345 HydrophobicContact CG1-CD2 4.05Å; V329-F377 HydrophobicContact CG1-CD2 4.22Å; V329-F377 HydrophobicContact CG2-CB 4.38Å; V329-F377 WeakPolarHBondContact CG2-O 3.28Å; V329-L380 HydrophobicContact CG2-CB 4.28Å; V329-N381 HydrophobicContact CB-CB 4.26Å; V329-N381 PolarHBondContact O-ND2 3.18Å |
| 330 | S | 85.1 | Confident | 82.4 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | trans | -61 | 139.8 | -179.2 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | K326 E332 K336 | K326-S330 WeakPolarHBondContact O-CB 3.29Å; K326-S330 PolarHBondContact O-N 3.34Å; K326-S330 PolarHBondContact O-OG 2.79Å; S330-E332 VanDerWaalsContact C-N 3.26Å; S330-E332 PolarHBondContact O-N 3.11Å; S330-K336 WeakPolarHBondContact O-CE 3.22Å; S330-K336 PolarHBondContact O-NZ 2.9Å | ||
| 331 | E | 66.9 | Low | 82.2 | Confident | 102 Ų | 102 | 68.3 Ų | 68.3 | 48% | 0.477 | 37% | 0.372 | S | S | . | . | trans | -82.9 | 13.6 | -178.6 | -65.6 | -166 | 154.9 | 0 | 0 | 114.1 | G333 N381 R383 | E331-G333 VanDerWaalsContact C-N 3.35Å; E331-G333 PolarHBondContact O-N 3.05Å; E331-N381 WeakPolarHBondContact CG-ND2 3.49Å; E331-R383 VanDerWaalsContact OE1-CD 3.27Å; E331-R383 WeakPolarHBondContact OE1-CD 3.37Å; E331-R383 IonicContact OE1-CZ 3.44Å; E331-R383 IonicContact OE1-NE 3.5Å; E331-R383 PolarHBondContact OE1-NE 2.84Å; E331-R383 IonicContact OE1-NH2 3.3Å | ||
| 332 | E | 51.5 | Low | 82 | Confident | 187 Ų | 187 | 68.4 Ų | 68.4 | 87% | 0.874 | 37% | 0.372 | S | S | * | . | trans | -70.9 | 90.6 | 178.8 | -68.1 | -173.5 | 171 | 0 | 0 | 110.6 | S330 | S330-E332 VanDerWaalsContact C-N 3.26Å; S330-E332 PolarHBondContact O-N 3.11Å | ||
| 333 | G | 48.4 | Very low | 81.8 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 55% | 0.546 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 146.3 | 144.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E331 G335 | E331-G333 VanDerWaalsContact C-N 3.35Å; E331-G333 PolarHBondContact O-N 3.05Å; G333-G335 PolarHBondContact O-N 3.46Å |
| 334 | E | 46.7 | Very low | 81.8 | Confident | 207 Ų | 207 | 62.9 Ų | 62.9 | 97% | 0.967 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 110.7 | 175.4 | -75.8 | -169.2 | 158.8 | 0 | 0 | 111 | ||
| 335 | G | 59.7 | Low | 81.8 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 66.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G333 N337 | G333-G335 PolarHBondContact O-N 3.46Å; G335-N337 PolarHBondContact O-N 2.86Å |
| 336 | K | 69.3 | Low | 81.8 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 31% | 0.309 | 34% | 0.342 | S | S | . | . | trans | -49.7 | 126.2 | 168.1 | -80 | -177.1 | 174.1 | 172.4 | 0 | 109.8 | A327 L328 S330 P338 Y341 | A327-K336 PolarHBondContact O-NZ 3.39Å; L328-K336 PolarHBondContact O-NZ 3.26Å; S330-K336 WeakPolarHBondContact O-CE 3.22Å; S330-K336 PolarHBondContact O-NZ 2.9Å; K336-P338 WeakPolarHBondContact O-CD 3.41Å; K336-Y341 HydrophobicContact CD-CD2 4.32Å | ||
| 337 | N | 84.4 | Confident | 81.9 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | trans | -58.5 | 122.3 | 174.1 | 175.7 | -3.5 | 0 | 0 | 0 | 108.9 | G335 V339 D340 Y341 | G335-N337 PolarHBondContact O-N 2.86Å; N337-V339 PolarHBondContact O-N 3.21Å; N337-V339 VanDerWaalsContact O-N 3.11Å; N337-V339 WeakPolarHBondContact OD1-CB 3.49Å; N337-V339 PolarHBondContact OD1-N 2.88Å; N337-D340 HydrophobicContact CB-CB 4.25Å; N337-D340 VanDerWaalsContact CB-OD2 3.28Å; N337-D340 WeakPolarHBondContact CB-OD2 2.86Å; N337-D340 PolarHBondContact ND2-OD2 3.42Å; N337-D340 PolarHBondContact O-N 2.84Å; N337-D340 VanDerWaalsContact O-N 3.15Å; N337-Y341 PolarHBondContact O-N 2.92Å | ||
| 338 | P | 88.2 | Confident | 82.1 | Confident | 15 Ų | 15 | 57.8 Ų | 57.8 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -53.8 | -32.7 | 179.5 | -28.4 | 35.4 | 0 | 0 | 0 | 113.6 | K336 I342 Y387 L390 | K336-P338 WeakPolarHBondContact O-CD 3.41Å; P338-I342 WeakPolarHBondContact O-CG1 3.31Å; P338-I342 PolarHBondContact O-N 3.25Å; P338-Y387 HydrophobicContact CB-CD1 3.88Å; P338-Y387 HydrophobicContact CB-CE1 4.45Å; P338-Y387 HydrophobicContact CB-CG 3.93Å; P338-Y387 HydrophobicContact CG-CD1 3.8Å; P338-Y387 HydrophobicContact CG-CE1 3.91Å; P338-Y387 HydrophobicContact CG-CG 4.29Å; P338-L390 HydrophobicContact CB-CB 3.92Å; P338-L390 HydrophobicContact CB-CD1 4.04Å; P338-L390 HydrophobicContact CG-CB 4.41Å; P338-L390 HydrophobicContact CG-CD1 3.68Å |
| 339 | V | 88.5 | Confident | 82.4 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.1 | -48.1 | -179.4 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | N337 Y341 I342 Q343 F391 D394 | N337-V339 PolarHBondContact O-N 3.21Å; N337-V339 VanDerWaalsContact O-N 3.11Å; N337-V339 WeakPolarHBondContact OD1-CB 3.49Å; N337-V339 PolarHBondContact OD1-N 2.88Å; V339-Y341 VanDerWaalsContact C-N 3.32Å; V339-Y341 PolarHBondContact O-N 3.43Å; V339-I342 PolarHBondContact O-N 2.84Å; V339-Q343 VanDerWaalsContact O-CB 3.3Å; V339-Q343 WeakPolarHBondContact O-CB 3.48Å; V339-Q343 PolarHBondContact O-N 3.4Å; V339-F391 HydrophobicContact CB-CD2 4.49Å; V339-F391 HydrophobicContact CG1-CD2 4.06Å; V339-F391 HydrophobicContact CG1-CE2 4.27Å; V339-D394 HydrophobicContact CG2-CB 4.11Å |
| 340 | D | 89.4 | Confident | 82.6 | Confident | 103 Ų | 103 | 58.6 Ų | 58.6 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.6 | -35.1 | -179.1 | -58.4 | -34 | 0 | 0 | 0 | 111.1 | N337 Q343 G344 | N337-D340 HydrophobicContact CB-CB 4.25Å; N337-D340 VanDerWaalsContact CB-OD2 3.28Å; N337-D340 WeakPolarHBondContact CB-OD2 2.86Å; N337-D340 PolarHBondContact ND2-OD2 3.42Å; N337-D340 PolarHBondContact O-N 2.84Å; N337-D340 VanDerWaalsContact O-N 3.15Å; D340-Q343 PolarHBondContact O-N 3.4Å; D340-G344 PolarHBondContact O-N 3.34Å |
| 341 | Y | 92.5 | Very high | 83.2 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 4% | 0.039 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.3 | -53.7 | 173.6 | 179.5 | -80.3 | 0 | 0 | 0 | 111.9 | V329 K336 N337 V339 G344 L345 N381 S384 Y387 | V329-Y341 HydrophobicContact CB-CE2 4.24Å; V329-Y341 WeakPolarHBondContact CB-OH 3.45Å; V329-Y341 HydrophobicContact CG1-CE2 4.43Å; V329-Y341 VanDerWaalsContact CG1-OH 3.29Å; V329-Y341 WeakPolarHBondContact CG1-OH 3.34Å; K336-Y341 HydrophobicContact CD-CD2 4.32Å; N337-Y341 PolarHBondContact O-N 2.92Å; V339-Y341 VanDerWaalsContact C-N 3.32Å; V339-Y341 PolarHBondContact O-N 3.43Å; Y341-G344 PolarHBondContact O-N 2.78Å; Y341-L345 HydrophobicContact CD1-CD1 4Å; Y341-L345 HydrophobicContact CE1-CD1 3.54Å; Y341-L345 PolarHBondContact O-N 2.9Å; Y341-N381 WeakPolarHBondContact OH-CB 3.27Å; Y341-S384 PolarHBondContact OH-OG 3.18Å; Y341-Y387 AromaticContact CD1-CD2 3.81Å; Y341-Y387 HydrophobicContact CD1-CD2 3.81Å; Y341-Y387 AromaticContact CD2-CD2 3.87Å; Y341-Y387 HydrophobicContact CD2-CD2 3.87Å; Y341-Y387 HydrophobicContact CD2-CE2 4.08Å; Y341-Y387 HydrophobicContact CE1-CD2 4.14Å; Y341-Y387 HydrophobicContact CE2-CD2 4.16Å; Y341-Y387 HydrophobicContact CE2-CE2 4.39Å; Y341-Y387 AromaticContact CG-CD2 3.67Å; Y341-Y387 HydrophobicContact CG-CD2 3.67Å; Y341-Y387 HydrophobicContact CG-CE2 4.28Å |
| 342 | I | 94.9 | Very high | 84.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.2 | -37.7 | -178.7 | -63.9 | -66 | 0 | 0 | 0 | 110.5 | P338 V339 G344 L345 L346 L388 F391 L418 | P338-I342 WeakPolarHBondContact O-CG1 3.31Å; P338-I342 PolarHBondContact O-N 3.25Å; V339-I342 PolarHBondContact O-N 2.84Å; I342-G344 PolarHBondContact O-N 3.21Å; I342-L345 HydrophobicContact CD1-CD1 4.43Å; I342-L345 PolarHBondContact O-N 3.11Å; I342-L346 HydrophobicContact CG2-CD1 4.21Å; I342-L346 HydrophobicContact CG2-CG 4.33Å; I342-L346 WeakPolarHBondContact O-CG 3.48Å; I342-L346 PolarHBondContact O-N 3.5Å; I342-L388 HydrophobicContact CD1-CB 3.96Å; I342-L388 HydrophobicContact CD1-CD1 4.15Å; I342-L388 HydrophobicContact CG2-CD1 4.07Å; I342-F391 HydrophobicContact CB-CB 3.92Å; I342-F391 HydrophobicContact CB-CD1 4.49Å; I342-F391 HydrophobicContact CB-CD2 3.72Å; I342-F391 HydrophobicContact CB-CE2 4.36Å; I342-F391 HydrophobicContact CB-CG 3.8Å; I342-F391 HydrophobicContact CG1-CB 3.88Å; I342-F391 HydrophobicContact CG1-CG 4.33Å; I342-F391 HydrophobicContact CG2-CB 4Å; I342-F391 HydrophobicContact CG2-CD1 3.73Å; I342-F391 HydrophobicContact CG2-CD2 3.73Å; I342-F391 HydrophobicContact CG2-CE1 4.09Å; I342-F391 HydrophobicContact CG2-CE2 4.09Å; I342-F391 HydrophobicContact CG2-CG 3.54Å; I342-F391 HydrophobicContact CG2-CZ 4.26Å; I342-L418 HydrophobicContact CG2-CD1 4.11Å |
| 343 | Q | 93.9 | Very high | 86.9 | Confident | 69 Ų | 69 | 49 Ų | 49 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 176.9 | -169.6 | 60.6 | 53.9 | 0 | 0 | 111.6 | V339 D340 L345 L346 D347 | V339-Q343 VanDerWaalsContact O-CB 3.3Å; V339-Q343 WeakPolarHBondContact O-CB 3.48Å; V339-Q343 PolarHBondContact O-N 3.4Å; D340-Q343 PolarHBondContact O-N 3.4Å; Q343-L345 VanDerWaalsContact C-N 3.28Å; Q343-L345 PolarHBondContact O-N 3.25Å; Q343-L346 WeakPolarHBondContact O-CB 3.25Å; Q343-L346 PolarHBondContact O-N 3.33Å; Q343-L346 VanDerWaalsContact O-N 3.1Å; Q343-D347 PolarHBondContact NE2-OD1 3.37Å; Q343-D347 PolarHBondContact O-N 2.93Å |
| 344 | G | 94.8 | Very high | 89.2 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 19% | 0.186 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D340 Y341 I342 L348 | D340-G344 PolarHBondContact O-N 3.34Å; Y341-G344 PolarHBondContact O-N 2.78Å; I342-G344 PolarHBondContact O-N 3.21Å; G344-L348 WeakPolarHBondContact O-CB 3.49Å; G344-L348 PolarHBondContact O-N 3.08Å |
| 345 | L | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -40.2 | 174.2 | -70 | 174.3 | 0 | 0 | 0 | 112.5 | L328 V329 Y341 I342 Q343 K349 F377 L378 L418 | L328-L345 HydrophobicContact CB-CD2 4.25Å; L328-L345 HydrophobicContact CD1-CD2 4.1Å; V329-L345 HydrophobicContact CG1-CD1 4.48Å; V329-L345 HydrophobicContact CG1-CD2 4.05Å; Y341-L345 HydrophobicContact CD1-CD1 4Å; Y341-L345 HydrophobicContact CE1-CD1 3.54Å; Y341-L345 PolarHBondContact O-N 2.9Å; I342-L345 HydrophobicContact CD1-CD1 4.43Å; I342-L345 PolarHBondContact O-N 3.11Å; Q343-L345 VanDerWaalsContact C-N 3.28Å; Q343-L345 PolarHBondContact O-N 3.25Å; L345-K349 WeakPolarHBondContact O-CB 3.23Å; L345-K349 PolarHBondContact O-N 3.11Å; L345-F377 HydrophobicContact CD2-CD2 4.15Å; L345-F377 HydrophobicContact CD2-CE2 3.74Å; L345-L378 HydrophobicContact CD1-CD1 3.75Å; L345-L418 HydrophobicContact CB-CD1 3.95Å; L345-L418 HydrophobicContact CB-CD2 4.45Å |
| 346 | L | 96.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66 | -39.2 | 176.3 | -69.5 | 179.8 | 0 | 0 | 0 | 112.3 | I342 Q343 K349 S350 F391 K414 L418 | I342-L346 HydrophobicContact CG2-CD1 4.21Å; I342-L346 HydrophobicContact CG2-CG 4.33Å; I342-L346 WeakPolarHBondContact O-CG 3.48Å; I342-L346 PolarHBondContact O-N 3.5Å; Q343-L346 WeakPolarHBondContact O-CB 3.25Å; Q343-L346 PolarHBondContact O-N 3.33Å; Q343-L346 VanDerWaalsContact O-N 3.1Å; L346-K349 PolarHBondContact O-N 2.94Å; L346-S350 WeakPolarHBondContact O-CB 3.43Å; L346-S350 PolarHBondContact O-N 3.17Å; L346-S350 PolarHBondContact O-OG 3.3Å; L346-F391 HydrophobicContact CD1-CE1 4.09Å; L346-F391 HydrophobicContact CD1-CZ 3.79Å; L346-K414 HydrophobicContact CD2-CB 3.95Å; L346-L418 HydrophobicContact CD2-CD1 3.44Å; L346-L418 VanDerWaalsContact CD2-CD1 3.44Å; L346-L418 HydrophobicContact CD2-CG 3.72Å; L346-L418 HydrophobicContact CG-CD1 3.84Å |
| 347 | D | 96.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 39.9 Ų | 39.9 | 47% | 0.471 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.4 | -43.5 | 177.9 | -64 | -17.3 | 0 | 0 | 0 | 110.6 | Q343 K349 S350 R351 | Q343-D347 PolarHBondContact NE2-OD1 3.37Å; Q343-D347 PolarHBondContact O-N 2.93Å; D347-K349 VanDerWaalsContact C-N 3.3Å; D347-K349 PolarHBondContact O-N 3.34Å; D347-S350 PolarHBondContact O-N 2.85Å; D347-R351 WeakPolarHBondContact O-CB 3.19Å; D347-R351 PolarHBondContact O-N 3.46Å |
| 348 | L | 97.5 | Very high | 95.4 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 173.4 | -175.1 | 62.6 | 0 | 0 | 0 | 111.2 | L321 Q324 L328 G344 R351 F352 F374 F377 | L321-L348 HydrophobicContact CD1-CD1 4.35Å; L321-L348 HydrophobicContact CD1-CD2 3.97Å; L321-L348 HydrophobicContact CD1-CG 4.15Å; Q324-L348 HydrophobicContact CB-CD1 4.4Å; Q324-L348 HydrophobicContact CB-CD2 4.32Å; L328-L348 HydrophobicContact CD1-CB 4.1Å; L328-L348 HydrophobicContact CD1-CD2 3.72Å; G344-L348 WeakPolarHBondContact O-CB 3.49Å; G344-L348 PolarHBondContact O-N 3.08Å; L348-R351 PolarHBondContact O-N 2.8Å; L348-F352 HydrophobicContact CD1-CD2 3.86Å; L348-F352 HydrophobicContact CD1-CE2 3.67Å; L348-F352 HydrophobicContact CG-CD2 4.35Å; L348-F352 WeakPolarHBondContact O-CD2 3.44Å; L348-F352 PolarHBondContact O-N 2.9Å; L348-F352 VanDerWaalsContact O-N 3.11Å; L348-F374 HydrophobicContact CB-CZ 4.3Å; L348-F374 HydrophobicContact CD2-CZ 4.29Å; L348-F374 HydrophobicContact CG-CZ 4.01Å; L348-F377 HydrophobicContact CD2-CZ 4.3Å |
| 349 | K | 97.5 | Very high | 95.9 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.2 | -46.8 | 178.3 | -176.5 | 57.8 | 167.2 | 66.5 | 0 | 111.5 | L345 L346 D347 R351 F352 D353 F374 | L345-K349 WeakPolarHBondContact O-CB 3.23Å; L345-K349 PolarHBondContact O-N 3.11Å; L346-K349 PolarHBondContact O-N 2.94Å; D347-K349 VanDerWaalsContact C-N 3.3Å; D347-K349 PolarHBondContact O-N 3.34Å; K349-R351 VanDerWaalsContact C-N 3.26Å; K349-R351 PolarHBondContact O-N 3.1Å; K349-F352 PolarHBondContact O-N 2.69Å; K349-D353 IonicContact NZ-OD1 3.8Å; K349-D353 PolarHBondContact NZ-OD1 2.88Å; K349-D353 IonicContact NZ-OD2 3.7Å; K349-D353 PolarHBondContact NZ-OD2 3.43Å; K349-D353 WeakPolarHBondContact O-CB 3.43Å; K349-D353 VanDerWaalsContact O-CG 3.29Å; K349-D353 PolarHBondContact O-N 3.34Å; K349-F374 HydrophobicContact CB-CE1 3.66Å; K349-F374 HydrophobicContact CB-CE2 4.4Å; K349-F374 HydrophobicContact CB-CZ 3.59Å; K349-F374 HydrophobicContact CD-CD1 4.28Å; K349-F374 HydrophobicContact CD-CD2 3.98Å; K349-F374 HydrophobicContact CD-CE1 4.02Å; K349-F374 HydrophobicContact CD-CE2 3.69Å; K349-F374 HydrophobicContact CD-CG 4.28Å; K349-F374 HydrophobicContact CD-CZ 3.74Å; K349-F374 HydrophobicContact CG-CE1 4.32Å; K349-F374 HydrophobicContact CG-CZ 4.26Å |
| 350 | S | 96.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 178.4 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | L346 D347 R354 | L346-S350 WeakPolarHBondContact O-CB 3.43Å; L346-S350 PolarHBondContact O-N 3.17Å; L346-S350 PolarHBondContact O-OG 3.3Å; D347-S350 PolarHBondContact O-N 2.85Å; S350-R354 PolarHBondContact O-N 2.81Å |
| 351 | R | 97.3 | Very high | 96.6 | Very high | 80 Ų | 80 | 41.3 Ų | 41.3 | 30% | 0.302 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 176.9 | -174.8 | -178.3 | -178.8 | 158.9 | 8.4 | 112.7 | L288 K289 D347 L348 K349 R354 F355 | L288-R351 PolarHBondContact O-NH2 2.99Å; K289-R351 PolarHBondContact O-NH2 3.11Å; D347-R351 WeakPolarHBondContact O-CB 3.19Å; D347-R351 PolarHBondContact O-N 3.46Å; L348-R351 PolarHBondContact O-N 2.8Å; K349-R351 VanDerWaalsContact C-N 3.26Å; K349-R351 PolarHBondContact O-N 3.1Å; R351-R354 WeakPolarHBondContact O-CB 3.46Å; R351-R354 PolarHBondContact O-N 3.22Å; R351-F355 HydrophobicContact CG-CD2 4.42Å; R351-F355 HydrophobicContact CG-CE2 3.69Å; R351-F355 HydrophobicContact CG-CZ 3.85Å; R351-F355 WeakPolarHBondContact O-CD2 3.48Å; R351-F355 WeakPolarHBondContact O-CG 3.45Å; R351-F355 PolarHBondContact O-N 3.42Å |
| 352 | F | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.3 | -31.1 | 179.6 | -87.2 | -98.8 | 0 | 0 | 0 | 113 | M317 Y320 L321 L348 K349 R354 F355 L356 I370 | M317-F352 HydrophobicContact CG-CE1 3.79Å; M317-F352 HydrophobicContact SD-CD1 4.25Å; M317-F352 HydrophobicContact SD-CE1 4.11Å; Y320-F352 HydrophobicContact CD1-CZ 4.04Å; Y320-F352 HydrophobicContact CE1-CZ 4.02Å; L321-F352 HydrophobicContact CB-CE1 3.87Å; L321-F352 HydrophobicContact CB-CZ 3.8Å; L321-F352 HydrophobicContact CD1-CD1 4.28Å; L321-F352 HydrophobicContact CD1-CD2 3.82Å; L321-F352 HydrophobicContact CD1-CE1 4.06Å; L321-F352 HydrophobicContact CD1-CE2 3.59Å; L321-F352 HydrophobicContact CD1-CG 4.15Å; L321-F352 HydrophobicContact CD1-CZ 3.71Å; L321-F352 HydrophobicContact CD2-CD1 3.98Å; L321-F352 HydrophobicContact CD2-CE1 4Å; L321-F352 HydrophobicContact CD2-CG 4.41Å; L321-F352 HydrophobicContact CD2-CZ 4.47Å; L321-F352 HydrophobicContact CG-CE1 4.18Å; L321-F352 HydrophobicContact CG-CZ 4.17Å; L348-F352 HydrophobicContact CD1-CD2 3.86Å; L348-F352 HydrophobicContact CD1-CE2 3.67Å; L348-F352 HydrophobicContact CG-CD2 4.35Å; L348-F352 WeakPolarHBondContact O-CD2 3.44Å; L348-F352 PolarHBondContact O-N 2.9Å; L348-F352 VanDerWaalsContact O-N 3.11Å; K349-F352 PolarHBondContact O-N 2.69Å; F352-R354 VanDerWaalsContact C-N 3.29Å; F352-R354 PolarHBondContact O-N 3.49Å; F352-F355 HydrophobicContact CD1-CD2 4.41Å; F352-F355 HydrophobicContact CG-CD2 4.39Å; F352-F355 PolarHBondContact O-N 2.98Å; F352-L356 WeakPolarHBondContact O-CB 3.41Å; F352-L356 PolarHBondContact O-N 3.47Å; F352-I370 HydrophobicContact CB-CD1 4.35Å; F352-I370 HydrophobicContact CB-CG2 4.25Å; F352-I370 HydrophobicContact CD1-CD1 4.27Å; F352-I370 HydrophobicContact CD1-CG1 4.2Å |
| 353 | D | 96.8 | Very high | 97 | Very high | 62 Ų | 62 | 46.8 Ų | 46.8 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -38.8 | 170.1 | -73.5 | -21.3 | 0 | 0 | 0 | 111.4 | K349 L356 L357 | K349-D353 IonicContact NZ-OD1 3.8Å; K349-D353 PolarHBondContact NZ-OD1 2.88Å; K349-D353 IonicContact NZ-OD2 3.7Å; K349-D353 PolarHBondContact NZ-OD2 3.43Å; K349-D353 WeakPolarHBondContact O-CB 3.43Å; K349-D353 VanDerWaalsContact O-CG 3.29Å; K349-D353 PolarHBondContact O-N 3.34Å; D353-L356 PolarHBondContact O-N 2.87Å; D353-L357 WeakPolarHBondContact O-CB 3.35Å; D353-L357 PolarHBondContact O-N 3.26Å |
| 354 | R | 97.5 | Very high | 97.1 | Very high | 87 Ų | 87 | 52.4 Ų | 52.4 | 33% | 0.328 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 174 | -169.4 | 177.6 | 68.2 | 92.2 | -5.1 | 111.8 | S350 R351 F352 L356 L357 E358 | S350-R354 PolarHBondContact O-N 2.81Å; R351-R354 WeakPolarHBondContact O-CB 3.46Å; R351-R354 PolarHBondContact O-N 3.22Å; F352-R354 VanDerWaalsContact C-N 3.29Å; F352-R354 PolarHBondContact O-N 3.49Å; R354-L356 VanDerWaalsContact C-N 3.33Å; R354-L356 PolarHBondContact O-N 2.89Å; R354-L357 PolarHBondContact O-N 3.26Å; R354-E358 WeakPolarHBondContact CD-OE1 3.27Å; R354-E358 HydrophobicContact CG-CG 4.12Å; R354-E358 WeakPolarHBondContact CG-OE1 3.15Å; R354-E358 WeakPolarHBondContact CG-OE2 3.46Å; R354-E358 IonicContact CZ-OE2 2.72Å; R354-E358 IonicContact NH1-OE2 3.43Å; R354-E358 PolarHBondContact NH1-OE2 3.09Å; R354-E358 WeakPolarHBondContact O-CB 3.44Å; R354-E358 PolarHBondContact O-N 3.44Å |
| 355 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 175.7 | -61.3 | -34.5 | 0 | 0 | 0 | 112.5 | L288 T293 L296 R351 F352 L357 S359 F360 | L288-F355 HydrophobicContact CB-CE2 4.4Å; L288-F355 HydrophobicContact CD2-CD2 3.43Å; L288-F355 VanDerWaalsContact CD2-CD2 3.43Å; L288-F355 HydrophobicContact CD2-CE2 3.57Å; L288-F355 HydrophobicContact CD2-CG 4.08Å; L288-F355 HydrophobicContact CD2-CZ 4.32Å; L288-F355 WeakPolarHBondContact O-CZ 3.47Å; T293-F355 HydrophobicContact CG2-CD1 3.78Å; T293-F355 HydrophobicContact CG2-CE1 3.98Å; L296-F355 HydrophobicContact CD1-CD1 3.98Å; L296-F355 HydrophobicContact CD1-CE1 4.19Å; L296-F355 HydrophobicContact CD1-CG 4.34Å; R351-F355 HydrophobicContact CG-CD2 4.42Å; R351-F355 HydrophobicContact CG-CE2 3.69Å; R351-F355 HydrophobicContact CG-CZ 3.85Å; R351-F355 WeakPolarHBondContact O-CD2 3.48Å; R351-F355 WeakPolarHBondContact O-CG 3.45Å; R351-F355 PolarHBondContact O-N 3.42Å; F352-F355 HydrophobicContact CD1-CD2 4.41Å; F352-F355 HydrophobicContact CG-CD2 4.39Å; F352-F355 PolarHBondContact O-N 2.98Å; F355-L357 VanDerWaalsContact C-N 3.31Å; F355-L357 PolarHBondContact O-N 3.02Å; F355-S359 WeakPolarHBondContact O-CA 3.45Å; F355-S359 WeakPolarHBondContact O-CB 3.44Å; F355-S359 PolarHBondContact O-N 3.41Å; F355-F360 HydrophobicContact CB-CD2 4.4Å; F355-F360 HydrophobicContact CB-CE2 3.96Å; F355-F360 PolarHBondContact O-N 3.42Å; F355-F360 VanDerWaalsContact O-N 3.08Å |
| 356 | L | 98 | Very high | 97.4 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 176.8 | -179.6 | 63.4 | 0 | 0 | 0 | 111.8 | F352 D353 R354 F360 N361 N362 F366 K367 I370 | F352-L356 WeakPolarHBondContact O-CB 3.41Å; F352-L356 PolarHBondContact O-N 3.47Å; D353-L356 PolarHBondContact O-N 2.87Å; R354-L356 VanDerWaalsContact C-N 3.33Å; R354-L356 PolarHBondContact O-N 2.89Å; L356-F360 HydrophobicContact CD1-CB 4.36Å; L356-F360 CarbonylContact O-C 3.51Å; L356-N361 PolarHBondContact O-N 2.86Å; L356-N362 PolarHBondContact O-N 3.47Å; L356-F366 HydrophobicContact CD1-CB 3.78Å; L356-K367 HydrophobicContact CD1-CB 4.23Å; L356-K367 HydrophobicContact CD2-CB 3.82Å; L356-K367 HydrophobicContact CD2-CD 4.43Å; L356-K367 HydrophobicContact CD2-CG 3.92Å; L356-I370 HydrophobicContact CB-CD1 4.26Å |
| 357 | L | 97.5 | Very high | 97.4 | Very high | 107 Ų | 107 | 60.8 Ų | 60.8 | 56% | 0.56 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -74.3 | -52.8 | -179.6 | -178.3 | 63.2 | 0 | 0 | 0 | 112.6 | D353 R354 F355 N362 | D353-L357 WeakPolarHBondContact O-CB 3.35Å; D353-L357 PolarHBondContact O-N 3.26Å; R354-L357 PolarHBondContact O-N 3.26Å; F355-L357 VanDerWaalsContact C-N 3.31Å; F355-L357 PolarHBondContact O-N 3.02Å; L357-N362 VanDerWaalsContact CD1-ND2 3.28Å; L357-N362 WeakPolarHBondContact CD1-ND2 3.45Å |
| 358 | E | 97.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 61.7 Ų | 61.7 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -82.2 | -31.6 | -169.8 | -66.9 | 176.4 | -169.7 | 0 | 0 | 113.3 | T293 R354 | T293-E358 HydrophobicContact CG2-CB 4.37Å; T293-E358 WeakPolarHBondContact CG2-OE2 3.49Å; R354-E358 WeakPolarHBondContact CD-OE1 3.27Å; R354-E358 HydrophobicContact CG-CG 4.12Å; R354-E358 WeakPolarHBondContact CG-OE1 3.15Å; R354-E358 WeakPolarHBondContact CG-OE2 3.46Å; R354-E358 IonicContact CZ-OE2 2.72Å; R354-E358 IonicContact NH1-OE2 3.43Å; R354-E358 PolarHBondContact NH1-OE2 3.09Å; R354-E358 WeakPolarHBondContact O-CB 3.44Å; R354-E358 PolarHBondContact O-N 3.44Å |
| 359 | S | 97.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -35 | -171.2 | -57 | 0 | 0 | 0 | 0 | 113.9 | T293 G297 F355 | T293-S359 VanDerWaalsContact CA-OG 3.27Å; T293-S359 WeakPolarHBondContact CA-OG 3.39Å; T293-S359 WeakPolarHBondContact CB-OG 3.27Å; T293-S359 PolarHBondContact O-OG 2.99Å; G297-S359 WeakPolarHBondContact CA-O 3.44Å; F355-S359 WeakPolarHBondContact O-CA 3.45Å; F355-S359 WeakPolarHBondContact O-CB 3.44Å; F355-S359 PolarHBondContact O-N 3.41Å |
| 360 | F | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -105.1 | 13 | -174.2 | -50.5 | -39.2 | 0 | 0 | 0 | 113.7 | L288 L296 Y300 M313 M317 F355 L356 N362 D363 F366 | L288-F360 HydrophobicContact CD2-CZ 4.48Å; L296-F360 HydrophobicContact CB-CE1 4.21Å; L296-F360 HydrophobicContact CD2-CE1 4.34Å; L296-F360 HydrophobicContact CD2-CZ 4.26Å; Y300-F360 HydrophobicContact CD2-CB 4.27Å; Y300-F360 HydrophobicContact CD2-CD1 4.1Å; Y300-F360 HydrophobicContact CE2-CB 4.47Å; Y300-F360 HydrophobicContact CG-CD1 4.3Å; M313-F360 HydrophobicContact CE-CE1 4.15Å; M317-F360 HydrophobicContact SD-CE2 3.88Å; F355-F360 HydrophobicContact CB-CD2 4.4Å; F355-F360 HydrophobicContact CB-CE2 3.96Å; F355-F360 PolarHBondContact O-N 3.42Å; F355-F360 VanDerWaalsContact O-N 3.08Å; L356-F360 HydrophobicContact CD1-CB 4.36Å; L356-F360 CarbonylContact O-C 3.51Å; F360-N362 PolarHBondContact O-N 3.05Å; F360-N362 VanDerWaalsContact O-N 3.11Å; F360-D363 WeakPolarHBondContact O-CB 3.4Å; F360-D363 PolarHBondContact O-N 2.97Å; F360-F366 HydrophobicContact CB-CB 4.48Å; F360-F366 HydrophobicContact CB-CD1 4.33Å; F360-F366 HydrophobicContact CB-CD2 4.45Å; F360-F366 HydrophobicContact CB-CG 4.18Å; F360-F366 HydrophobicContact CD1-CD1 4.3Å; F360-F366 HydrophobicContact CD1-CE1 4.04Å; F360-F366 HydrophobicContact CD1-CZ 4.37Å; F360-F366 HydrophobicContact CD2-CB 4.34Å; F360-F366 AromaticContact CD2-CD1 3.44Å; F360-F366 HydrophobicContact CD2-CD1 3.44Å; F360-F366 VanDerWaalsContact CD2-CD1 3.44Å; F360-F366 AromaticContact CD2-CE1 3.93Å; F360-F366 HydrophobicContact CD2-CE1 3.93Å; F360-F366 HydrophobicContact CD2-CG 4.03Å; F360-F366 HydrophobicContact CE1-CE1 4.04Å; F360-F366 AromaticContact CE2-CD1 3.71Å; F360-F366 HydrophobicContact CE2-CD1 3.71Å; F360-F366 AromaticContact CE2-CE1 3.93Å; F360-F366 HydrophobicContact CE2-CE1 3.93Å; F360-F366 AromaticContact CG-CD1 3.78Å; F360-F366 HydrophobicContact CG-CD1 3.78Å; F360-F366 AromaticContact CG-CE1 3.99Å; F360-F366 HydrophobicContact CG-CE1 3.99Å; F360-F366 HydrophobicContact CG-CG 4.14Å; F360-F366 HydrophobicContact CZ-CD1 4.25Å; F360-F366 AromaticContact CZ-CE1 3.99Å; F360-F366 HydrophobicContact CZ-CE1 3.99Å |
| 361 | N | 96.2 | Very high | 97.6 | Very high | 127 Ų | 127 | 60.4 Ų | 60.4 | 68% | 0.679 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 37 | 175.7 | -165.8 | 36.4 | 0 | 0 | 0 | 114.5 | Y300 L356 D363 | Y300-N361 HydrophobicContact CE1-CB 4.08Å; L356-N361 PolarHBondContact O-N 2.86Å; N361-D363 PolarHBondContact O-N 2.97Å |
| 362 | N | 96.7 | Very high | 97.6 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 48% | 0.481 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 32 | -173.8 | -71.2 | -57.7 | 0 | 0 | 0 | 114.5 | L356 L357 F360 R364 | L356-N362 PolarHBondContact O-N 3.47Å; L357-N362 VanDerWaalsContact CD1-ND2 3.28Å; L357-N362 WeakPolarHBondContact CD1-ND2 3.45Å; F360-N362 PolarHBondContact O-N 3.05Å; F360-N362 VanDerWaalsContact O-N 3.11Å; N362-R364 PolarHBondContact O-N 3.33Å |
| 363 | D | 97.8 | Very high | 97.6 | Very high | 35 Ų | 35 | 58.2 Ų | 58.2 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | trans | -55.3 | 134.3 | -179.5 | -176.5 | -80.2 | 0 | 0 | 0 | 112.1 | Y300 F360 N361 L365 F366 K367 | Y300-D363 HydrophobicContact CE2-CB 3.97Å; Y300-D363 PolarHBondContact OH-OD2 3.2Å; F360-D363 WeakPolarHBondContact O-CB 3.4Å; F360-D363 PolarHBondContact O-N 2.97Å; N361-D363 PolarHBondContact O-N 2.97Å; D363-L365 PolarHBondContact O-N 3.44Å; D363-L365 WeakPolarHBondContact OD1-CA 3.29Å; D363-L365 VanDerWaalsContact OD1-CB 3.23Å; D363-L365 WeakPolarHBondContact OD1-CB 3.32Å; D363-L365 PolarHBondContact OD1-N 3.39Å; D363-F366 HydrophobicContact CB-CB 4.46Å; D363-F366 HydrophobicContact CB-CD2 3.83Å; D363-F366 PolarHBondContact O-N 3.49Å; D363-F366 PolarHBondContact OD1-N 2.95Å; D363-K367 WeakPolarHBondContact O-CB 3.09Å; D363-K367 PolarHBondContact O-N 3.19Å | ||
| 364 | R | 97.3 | Very high | 97.7 | Very high | 188 Ų | 188 | 55.3 Ų | 55.3 | 71% | 0.709 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.8 | -38.3 | -174 | -177.9 | 179.3 | 174.9 | 178.1 | 1 | 112.3 | N362 K367 Q368 | N362-R364 PolarHBondContact O-N 3.33Å; R364-K367 PolarHBondContact O-N 2.89Å; R364-Q368 HydrophobicContact CG-CG 4.39Å; R364-Q368 VanDerWaalsContact NE-NE2 3.18Å; R364-Q368 WeakPolarHBondContact O-CB 3.38Å; R364-Q368 VanDerWaalsContact O-CG 3.27Å; R364-Q368 WeakPolarHBondContact O-CG 3.43Å; R364-Q368 PolarHBondContact O-N 2.87Å |
| 365 | L | 97.6 | Very high | 97.6 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 37% | 0.366 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 180 | -178.9 | 65.3 | 0 | 0 | 0 | 110.2 | L310 C314 D363 Q368 T369 | L310-L365 HydrophobicContact CB-CD2 4.44Å; C314-L365 HydrophobicContact CB-CD2 4.39Å; C314-L365 HydrophobicContact CB-CG 4.47Å; D363-L365 PolarHBondContact O-N 3.44Å; D363-L365 WeakPolarHBondContact OD1-CA 3.29Å; D363-L365 VanDerWaalsContact OD1-CB 3.23Å; D363-L365 WeakPolarHBondContact OD1-CB 3.32Å; D363-L365 PolarHBondContact OD1-N 3.39Å; L365-Q368 PolarHBondContact O-N 3.21Å; L365-T369 WeakPolarHBondContact O-CB 3.38Å; L365-T369 PolarHBondContact O-N 3.31Å; L365-T369 PolarHBondContact O-OG1 2.92Å |
| 366 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -45.9 | 176.1 | -75.3 | -99.8 | 0 | 0 | 0 | 111.3 | Y300 L310 M313 C314 M317 L356 F360 D363 Q368 T369 I370 | Y300-F366 HydrophobicContact CD2-CE2 4.02Å; Y300-F366 HydrophobicContact CD2-CZ 4.3Å; Y300-F366 HydrophobicContact CE2-CD2 4.45Å; Y300-F366 HydrophobicContact CE2-CE2 4.01Å; L310-F366 HydrophobicContact CB-CE2 4.23Å; L310-F366 HydrophobicContact CD2-CE2 4.24Å; M313-F366 HydrophobicContact CB-CE1 4.32Å; M313-F366 HydrophobicContact CB-CZ 3.84Å; M313-F366 HydrophobicContact CE-CZ 4.28Å; M313-F366 HydrophobicContact SD-CZ 4.44Å; C314-F366 VanDerWaalsContact SG-CD2 3.51Å; C314-F366 VanDerWaalsContact SG-CE2 3.53Å; M317-F366 HydrophobicContact CE-CD1 3.64Å; M317-F366 HydrophobicContact CE-CE1 4.33Å; M317-F366 HydrophobicContact CE-CG 4.43Å; M317-F366 HydrophobicContact SD-CD1 3.74Å; M317-F366 HydrophobicContact SD-CE1 4.22Å; L356-F366 HydrophobicContact CD1-CB 3.78Å; F360-F366 HydrophobicContact CB-CB 4.48Å; F360-F366 HydrophobicContact CB-CD1 4.33Å; F360-F366 HydrophobicContact CB-CD2 4.45Å; F360-F366 HydrophobicContact CB-CG 4.18Å; F360-F366 HydrophobicContact CD1-CD1 4.3Å; F360-F366 HydrophobicContact CD1-CE1 4.04Å; F360-F366 HydrophobicContact CD1-CZ 4.37Å; F360-F366 HydrophobicContact CD2-CB 4.34Å; F360-F366 AromaticContact CD2-CD1 3.44Å; F360-F366 HydrophobicContact CD2-CD1 3.44Å; F360-F366 VanDerWaalsContact CD2-CD1 3.44Å; F360-F366 AromaticContact CD2-CE1 3.93Å; F360-F366 HydrophobicContact CD2-CE1 3.93Å; F360-F366 HydrophobicContact CD2-CG 4.03Å; F360-F366 HydrophobicContact CE1-CE1 4.04Å; F360-F366 AromaticContact CE2-CD1 3.71Å; F360-F366 HydrophobicContact CE2-CD1 3.71Å; F360-F366 AromaticContact CE2-CE1 3.93Å; F360-F366 HydrophobicContact CE2-CE1 3.93Å; F360-F366 AromaticContact CG-CD1 3.78Å; F360-F366 HydrophobicContact CG-CD1 3.78Å; F360-F366 AromaticContact CG-CE1 3.99Å; F360-F366 HydrophobicContact CG-CE1 3.99Å; F360-F366 HydrophobicContact CG-CG 4.14Å; F360-F366 HydrophobicContact CZ-CD1 4.25Å; F360-F366 AromaticContact CZ-CE1 3.99Å; F360-F366 HydrophobicContact CZ-CE1 3.99Å; D363-F366 HydrophobicContact CB-CB 4.46Å; D363-F366 HydrophobicContact CB-CD2 3.83Å; D363-F366 PolarHBondContact O-N 3.49Å; D363-F366 PolarHBondContact OD1-N 2.95Å; F366-Q368 PolarHBondContact O-N 3.42Å; F366-T369 PolarHBondContact O-N 3.37Å; F366-I370 WeakPolarHBondContact O-CB 3.2Å; F366-I370 VanDerWaalsContact O-CG1 3.25Å; F366-I370 WeakPolarHBondContact O-CG1 3.43Å; F366-I370 PolarHBondContact O-N 2.65Å |
| 367 | K | 97.9 | Very high | 97.4 | Very high | 131 Ų | 131 | 58.4 Ų | 58.4 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -57.9 | -45.4 | 177.5 | -173.6 | 174.7 | -177 | 173.4 | 0 | 112.5 | L356 D363 R364 A371 | L356-K367 HydrophobicContact CD1-CB 4.23Å; L356-K367 HydrophobicContact CD2-CB 3.82Å; L356-K367 HydrophobicContact CD2-CD 4.43Å; L356-K367 HydrophobicContact CD2-CG 3.92Å; D363-K367 WeakPolarHBondContact O-CB 3.09Å; D363-K367 PolarHBondContact O-N 3.19Å; R364-K367 PolarHBondContact O-N 2.89Å; K367-A371 WeakPolarHBondContact O-CB 3.34Å; K367-A371 PolarHBondContact O-N 3.1Å |
| 368 | Q | 97.8 | Very high | 97.3 | Very high | 107 Ų | 107 | 53.4 Ų | 53.4 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.3 | -41 | 178.3 | -74.1 | 177.4 | -15.5 | 0 | 0 | 111.9 | R364 L365 F366 A371 G372 | R364-Q368 HydrophobicContact CG-CG 4.39Å; R364-Q368 VanDerWaalsContact NE-NE2 3.18Å; R364-Q368 WeakPolarHBondContact O-CB 3.38Å; R364-Q368 VanDerWaalsContact O-CG 3.27Å; R364-Q368 WeakPolarHBondContact O-CG 3.43Å; R364-Q368 PolarHBondContact O-N 2.87Å; L365-Q368 PolarHBondContact O-N 3.21Å; F366-Q368 PolarHBondContact O-N 3.42Å; Q368-A371 PolarHBondContact O-N 3.45Å; Q368-G372 PolarHBondContact O-N 3Å |
| 369 | T | 98.2 | Very high | 97.2 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 18% | 0.178 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 177.5 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | M317 L365 F366 A371 G372 D373 | M317-T369 HydrophobicContact CE-CG2 4.03Å; L365-T369 WeakPolarHBondContact O-CB 3.38Å; L365-T369 PolarHBondContact O-N 3.31Å; L365-T369 PolarHBondContact O-OG1 2.92Å; F366-T369 PolarHBondContact O-N 3.37Å; T369-A371 PolarHBondContact O-N 2.89Å; T369-G372 PolarHBondContact O-N 2.98Å; T369-D373 WeakPolarHBondContact O-CB 3.38Å; T369-D373 PolarHBondContact O-N 2.82Å |
| 370 | I | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58 | -49.2 | 176.7 | -66.8 | 164 | 0 | 0 | 0 | 110.3 | M317 L321 F352 L356 F366 G372 D373 F374 | M317-I370 HydrophobicContact CE-CD1 4.3Å; M317-I370 HydrophobicContact CE-CG1 3.77Å; M317-I370 HydrophobicContact SD-CD1 4.33Å; M317-I370 HydrophobicContact SD-CG1 4.22Å; L321-I370 HydrophobicContact CD2-CB 4.36Å; L321-I370 HydrophobicContact CD2-CG1 4.22Å; L321-I370 HydrophobicContact CD2-CG2 4.22Å; F352-I370 HydrophobicContact CB-CD1 4.35Å; F352-I370 HydrophobicContact CB-CG2 4.25Å; F352-I370 HydrophobicContact CD1-CD1 4.27Å; F352-I370 HydrophobicContact CD1-CG1 4.2Å; L356-I370 HydrophobicContact CB-CD1 4.26Å; F366-I370 WeakPolarHBondContact O-CB 3.2Å; F366-I370 VanDerWaalsContact O-CG1 3.25Å; F366-I370 WeakPolarHBondContact O-CG1 3.43Å; F366-I370 PolarHBondContact O-N 2.65Å; I370-G372 PolarHBondContact O-N 3.33Å; I370-D373 PolarHBondContact O-N 2.92Å; I370-F374 HydrophobicContact CG2-CD2 3.86Å; I370-F374 HydrophobicContact CG2-CE2 3.98Å; I370-F374 WeakPolarHBondContact O-CD2 3.49Å; I370-F374 PolarHBondContact O-N 3Å |
| 371 | A | 97.3 | Very high | 96.6 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K367 Q368 T369 D373 F374 E375 F421 | K367-A371 WeakPolarHBondContact O-CB 3.34Å; K367-A371 PolarHBondContact O-N 3.1Å; Q368-A371 PolarHBondContact O-N 3.45Å; T369-A371 PolarHBondContact O-N 2.89Å; A371-D373 VanDerWaalsContact C-N 3.32Å; A371-D373 PolarHBondContact O-N 3.35Å; A371-F374 PolarHBondContact O-N 2.84Å; A371-E375 PolarHBondContact O-N 3.19Å; A371-F421 HydrophobicContact CB-CE1 3.88Å; A371-F421 HydrophobicContact CB-CZ 4.24Å |
| 372 | G | 97.6 | Very high | 96.3 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 33% | 0.33 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.3 | -33.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q368 T369 I370 Y376 | Q368-G372 PolarHBondContact O-N 3Å; T369-G372 PolarHBondContact O-N 2.98Å; I370-G372 PolarHBondContact O-N 3.33Å; G372-Y376 WeakPolarHBondContact O-CB 3.44Å; G372-Y376 PolarHBondContact O-N 2.82Å |
| 373 | D | 98.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.1 | -41.9 | 176.5 | -68.5 | -20.5 | 0 | 0 | 0 | 111.8 | S318 L321 R322 T369 I370 A371 E375 Y376 F377 | S318-D373 WeakPolarHBondContact CA-OD2 3.44Å; S318-D373 WeakPolarHBondContact CB-OD2 3.36Å; S318-D373 PolarHBondContact OG-OD1 3.34Å; S318-D373 PolarHBondContact OG-OD2 3.03Å; L321-D373 HydrophobicContact CD2-CB 3.77Å; L321-D373 HydrophobicContact CG-CB 4.08Å; R322-D373 HydrophobicContact CG-CB 4.16Å; R322-D373 IonicContact CZ-OD1 3.66Å; R322-D373 IonicContact NE-OD1 2.76Å; R322-D373 PolarHBondContact NE-OD1 3.03Å; R322-D373 IonicContact NH2-OD1 2.67Å; R322-D373 PolarHBondContact NH2-OD1 2.88Å; T369-D373 WeakPolarHBondContact O-CB 3.38Å; T369-D373 PolarHBondContact O-N 2.82Å; I370-D373 PolarHBondContact O-N 2.92Å; A371-D373 VanDerWaalsContact C-N 3.32Å; A371-D373 PolarHBondContact O-N 3.35Å; D373-E375 VanDerWaalsContact C-N 3.35Å; D373-E375 PolarHBondContact O-N 3.15Å; D373-Y376 WeakPolarHBondContact O-CB 3.45Å; D373-Y376 PolarHBondContact O-N 3.14Å; D373-Y376 VanDerWaalsContact O-N 3.11Å; D373-F377 VanDerWaalsContact C-CE1 3.47Å; D373-F377 HydrophobicContact CB-CE1 4.34Å; D373-F377 WeakPolarHBondContact O-CD1 3.47Å; D373-F377 WeakPolarHBondContact O-CE1 3.49Å; D373-F377 WeakPolarHBondContact O-CG 3.5Å; D373-F377 PolarHBondContact O-N 3.08Å |
| 374 | F | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 171.9 | -90.7 | -91.2 | 0 | 0 | 0 | 112.3 | L321 L348 K349 I370 A371 Y376 F377 L378 L418 F421 | L321-F374 HydrophobicContact CD1-CE2 4.01Å; L321-F374 HydrophobicContact CD2-CD2 4.39Å; L321-F374 HydrophobicContact CD2-CE2 4.26Å; L348-F374 HydrophobicContact CB-CZ 4.3Å; L348-F374 HydrophobicContact CD2-CZ 4.29Å; L348-F374 HydrophobicContact CG-CZ 4.01Å; K349-F374 HydrophobicContact CB-CE1 3.66Å; K349-F374 HydrophobicContact CB-CE2 4.4Å; K349-F374 HydrophobicContact CB-CZ 3.59Å; K349-F374 HydrophobicContact CD-CD1 4.28Å; K349-F374 HydrophobicContact CD-CD2 3.98Å; K349-F374 HydrophobicContact CD-CE1 4.02Å; K349-F374 HydrophobicContact CD-CE2 3.69Å; K349-F374 HydrophobicContact CD-CG 4.28Å; K349-F374 HydrophobicContact CD-CZ 3.74Å; K349-F374 HydrophobicContact CG-CE1 4.32Å; K349-F374 HydrophobicContact CG-CZ 4.26Å; I370-F374 HydrophobicContact CG2-CD2 3.86Å; I370-F374 HydrophobicContact CG2-CE2 3.98Å; I370-F374 WeakPolarHBondContact O-CD2 3.49Å; I370-F374 PolarHBondContact O-N 3Å; A371-F374 PolarHBondContact O-N 2.84Å; F374-Y376 VanDerWaalsContact C-N 3.32Å; F374-F377 VanDerWaalsContact CA-CZ 3.45Å; F374-F377 HydrophobicContact CB-CE2 4.4Å; F374-F377 HydrophobicContact CB-CZ 4.03Å; F374-F377 AromaticContact CD1-CE2 3.58Å; F374-F377 HydrophobicContact CD1-CE2 3.58Å; F374-F377 AromaticContact CD1-CZ 3.37Å; F374-F377 HydrophobicContact CD1-CZ 3.37Å; F374-F377 HydrophobicContact CD2-CE1 4.32Å; F374-F377 AromaticContact CD2-CZ 3.78Å; F374-F377 HydrophobicContact CD2-CZ 3.78Å; F374-F377 AromaticContact CE1-CE2 3.9Å; F374-F377 HydrophobicContact CE1-CE2 3.9Å; F374-F377 AromaticContact CE1-CZ 3.58Å; F374-F377 HydrophobicContact CE1-CZ 3.58Å; F374-F377 AromaticContact CE2-CZ 3.98Å; F374-F377 HydrophobicContact CE2-CZ 3.98Å; F374-F377 HydrophobicContact CG-CE1 4.25Å; F374-F377 HydrophobicContact CG-CE2 4.02Å; F374-F377 AromaticContact CG-CZ 3.46Å; F374-F377 HydrophobicContact CG-CZ 3.46Å; F374-F377 VanDerWaalsContact CG-CZ 3.46Å; F374-F377 AromaticContact CZ-CZ 3.86Å; F374-F377 HydrophobicContact CZ-CZ 3.86Å; F374-L378 WeakPolarHBondContact O-CB 3.28Å; F374-L378 PolarHBondContact O-N 2.82Å; F374-L378 VanDerWaalsContact O-N 3.09Å; F374-L418 HydrophobicContact CD1-CD2 4.13Å; F374-L418 HydrophobicContact CE1-CD2 4.4Å; F374-F421 HydrophobicContact CB-CD2 3.63Å; F374-F421 HydrophobicContact CB-CE2 3.76Å; F374-F421 HydrophobicContact CB-CG 4.16Å; F374-F421 HydrophobicContact CB-CZ 4.4Å; F374-F421 HydrophobicContact CD1-CD2 4.48Å; F374-F421 HydrophobicContact CG-CD2 4.33Å; F374-F421 HydrophobicContact CG-CE2 4.19Å |
| 375 | E | 96.5 | Very high | 95.6 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 36% | 0.355 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 171.5 | -178.3 | 174.7 | 176.8 | 0 | 0 | 111.3 | A371 D373 N379 F421 Q423 | A371-E375 PolarHBondContact O-N 3.19Å; D373-E375 VanDerWaalsContact C-N 3.35Å; D373-E375 PolarHBondContact O-N 3.15Å; E375-N379 PolarHBondContact O-ND2 2.67Å; E375-F421 HydrophobicContact CB-CB 4.28Å; E375-Q423 PolarHBondContact OE1-NE2 3.39Å; E375-Q423 VanDerWaalsContact OE1-NE2 3.15Å |
| 376 | Y | 96.7 | Very high | 95.4 | Very high | 84 Ų | 84 | 37.6 Ų | 37.6 | 33% | 0.329 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.4 | -57.2 | -179.8 | 169.9 | -102.1 | 0 | 0 | 0 | 112.6 | R322 K326 G372 D373 F374 L380 | R322-Y376 HydrophobicContact CG-CD1 4.01Å; R322-Y376 HydrophobicContact CG-CE1 4.34Å; K326-Y376 WeakPolarHBondContact CE-OH 3.47Å; K326-Y376 PolarHBondContact NZ-OH 3.18Å; G372-Y376 WeakPolarHBondContact O-CB 3.44Å; G372-Y376 PolarHBondContact O-N 2.82Å; D373-Y376 WeakPolarHBondContact O-CB 3.45Å; D373-Y376 PolarHBondContact O-N 3.14Å; D373-Y376 VanDerWaalsContact O-N 3.11Å; F374-Y376 VanDerWaalsContact C-N 3.32Å; Y376-L380 HydrophobicContact CE1-CD1 3.97Å; Y376-L380 HydrophobicContact CE2-CD2 4.23Å |
| 377 | F | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.6 | -31.3 | -173.6 | 57.1 | -111.5 | 0 | 0 | 0 | 113.5 | L321 V329 L345 L348 D373 F374 N379 L380 | L321-F377 HydrophobicContact CD1-CE1 4.13Å; L321-F377 HydrophobicContact CD1-CZ 4.45Å; L321-F377 HydrophobicContact CG-CE1 4.14Å; V329-F377 HydrophobicContact CG1-CD2 4.22Å; V329-F377 HydrophobicContact CG2-CB 4.38Å; V329-F377 WeakPolarHBondContact CG2-O 3.28Å; L345-F377 HydrophobicContact CD2-CD2 4.15Å; L345-F377 HydrophobicContact CD2-CE2 3.74Å; L348-F377 HydrophobicContact CD2-CZ 4.3Å; D373-F377 VanDerWaalsContact C-CE1 3.47Å; D373-F377 HydrophobicContact CB-CE1 4.34Å; D373-F377 WeakPolarHBondContact O-CD1 3.47Å; D373-F377 WeakPolarHBondContact O-CE1 3.49Å; D373-F377 WeakPolarHBondContact O-CG 3.5Å; D373-F377 PolarHBondContact O-N 3.08Å; F374-F377 VanDerWaalsContact CA-CZ 3.45Å; F374-F377 HydrophobicContact CB-CE2 4.4Å; F374-F377 HydrophobicContact CB-CZ 4.03Å; F374-F377 AromaticContact CD1-CE2 3.58Å; F374-F377 HydrophobicContact CD1-CE2 3.58Å; F374-F377 AromaticContact CD1-CZ 3.37Å; F374-F377 HydrophobicContact CD1-CZ 3.37Å; F374-F377 HydrophobicContact CD2-CE1 4.32Å; F374-F377 AromaticContact CD2-CZ 3.78Å; F374-F377 HydrophobicContact CD2-CZ 3.78Å; F374-F377 AromaticContact CE1-CE2 3.9Å; F374-F377 HydrophobicContact CE1-CE2 3.9Å; F374-F377 AromaticContact CE1-CZ 3.58Å; F374-F377 HydrophobicContact CE1-CZ 3.58Å; F374-F377 AromaticContact CE2-CZ 3.98Å; F374-F377 HydrophobicContact CE2-CZ 3.98Å; F374-F377 HydrophobicContact CG-CE1 4.25Å; F374-F377 HydrophobicContact CG-CE2 4.02Å; F374-F377 AromaticContact CG-CZ 3.46Å; F374-F377 HydrophobicContact CG-CZ 3.46Å; F374-F377 VanDerWaalsContact CG-CZ 3.46Å; F374-F377 AromaticContact CZ-CZ 3.86Å; F374-F377 HydrophobicContact CZ-CZ 3.86Å; F377-N379 PolarHBondContact O-N 2.72Å; F377-L380 HydrophobicContact CB-CD1 4.22Å; F377-L380 WeakPolarHBondContact O-CB 3.36Å; F377-L380 PolarHBondContact O-N 2.96Å; F377-L380 VanDerWaalsContact O-N 3.1Å |
| 378 | L | 94.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -35 | 177.7 | -177.7 | 67.6 | 0 | 0 | 0 | 111.5 | L345 F374 S384 L418 F421 M422 | L345-L378 HydrophobicContact CD1-CD1 3.75Å; F374-L378 WeakPolarHBondContact O-CB 3.28Å; F374-L378 PolarHBondContact O-N 2.82Å; F374-L378 VanDerWaalsContact O-N 3.09Å; L378-S384 VanDerWaalsContact O-CB 3.27Å; L378-S384 WeakPolarHBondContact O-CB 3.45Å; L378-S384 PolarHBondContact O-OG 2.83Å; L378-L418 VanDerWaalsContact CD2-O 3.22Å; L378-L418 WeakPolarHBondContact CD2-O 3.28Å; L378-F421 HydrophobicContact CD2-CB 3.9Å; L378-M422 HydrophobicContact CD2-CB 4.27Å; L378-M422 HydrophobicContact CD2-CE 4.49Å |
| 379 | N | 94.1 | Very high | 94.9 | Very high | 43 Ų | 43 | 27.1 Ų | 27.1 | 23% | 0.23 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 1.7 | -179.1 | -64.1 | -67.1 | 0 | 0 | 0 | 114 | E375 F377 N381 F421 Q423 | E375-N379 PolarHBondContact O-ND2 2.67Å; F377-N379 PolarHBondContact O-N 2.72Å; N379-N381 VanDerWaalsContact C-N 3.32Å; N379-F421 PolarHBondContact ND2-O 3.2Å; N379-Q423 WeakPolarHBondContact OD1-CB 3.22Å; N379-Q423 PolarHBondContact OD1-N 2.9Å |
| 380 | L | 93.3 | Very high | 94.7 | Very high | 87 Ų | 87 | 27 Ų | 27 | 46% | 0.455 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -29.6 | 170.1 | -67.7 | 176.4 | 0 | 0 | 0 | 112 | K326 V329 Y376 F377 | K326-L380 HydrophobicContact CD-CD1 4.44Å; K326-L380 HydrophobicContact CG-CD1 3.71Å; V329-L380 HydrophobicContact CG2-CB 4.28Å; Y376-L380 HydrophobicContact CE1-CD1 3.97Å; Y376-L380 HydrophobicContact CE2-CD2 4.23Å; F377-L380 HydrophobicContact CB-CD1 4.22Å; F377-L380 WeakPolarHBondContact O-CB 3.36Å; F377-L380 PolarHBondContact O-N 2.96Å; F377-L380 VanDerWaalsContact O-N 3.1Å |
| 381 | N | 90.7 | Very high | 94.5 | Very high | 12 Ų | 12 | 27 Ų | 27 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -101.9 | 115.4 | 178.3 | -170 | -30.7 | 0 | 0 | 0 | 110.9 | V329 E331 Y341 N379 R383 S384 | V329-N381 HydrophobicContact CB-CB 4.26Å; V329-N381 PolarHBondContact O-ND2 3.18Å; E331-N381 WeakPolarHBondContact CG-ND2 3.49Å; Y341-N381 WeakPolarHBondContact OH-CB 3.27Å; N379-N381 VanDerWaalsContact C-N 3.32Å; N381-R383 PolarHBondContact O-N 3.15Å; N381-R383 VanDerWaalsContact O-N 3.14Å; N381-R383 WeakPolarHBondContact OD1-CA 3.22Å; N381-R383 VanDerWaalsContact OD1-CB 3.28Å; N381-R383 WeakPolarHBondContact OD1-CB 3.41Å; N381-R383 PolarHBondContact OD1-N 3.11Å; N381-S384 WeakPolarHBondContact O-CB 3.5Å; N381-S384 PolarHBondContact O-N 3Å; N381-S384 VanDerWaalsContact O-N 3.08Å; N381-S384 PolarHBondContact O-OG 3.49Å |
| 382 | S | 89.1 | Confident | 94.4 | Very high | 69 Ų | 69 | 25.5 Ų | 25.5 | 48% | 0.483 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15.4 | 178.9 | 68.5 | 0 | 0 | 0 | 0 | 114.6 | P385 | S382-P385 WeakPolarHBondContact O-CD 3.5Š|
| 383 | R | 89.6 | Confident | 94.1 | Very high | 67 Ų | 67 | 24 Ų | 24 | 25% | 0.253 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -10.3 | 175.7 | -54.7 | -173.2 | -167.8 | -161.2 | -7.6 | 113.7 | E331 N381 P385 E386 Y387 | E331-R383 VanDerWaalsContact OE1-CD 3.27Å; E331-R383 WeakPolarHBondContact OE1-CD 3.37Å; E331-R383 IonicContact OE1-CZ 3.44Å; E331-R383 IonicContact OE1-NE 3.5Å; E331-R383 PolarHBondContact OE1-NE 2.84Å; E331-R383 IonicContact OE1-NH2 3.3Å; N381-R383 PolarHBondContact O-N 3.15Å; N381-R383 VanDerWaalsContact O-N 3.14Å; N381-R383 WeakPolarHBondContact OD1-CA 3.22Å; N381-R383 VanDerWaalsContact OD1-CB 3.28Å; N381-R383 WeakPolarHBondContact OD1-CB 3.41Å; N381-R383 PolarHBondContact OD1-N 3.11Å; R383-P385 VanDerWaalsContact C-N 3.28Å; R383-P385 VanDerWaalsContact O-N 3.17Å; R383-E386 WeakPolarHBondContact O-CA 3.37Å; R383-E386 WeakPolarHBondContact O-CB 3.38Å; R383-E386 PolarHBondContact O-N 3.46Å; R383-Y387 HydrophobicContact CB-CD1 4.22Å; R383-Y387 HydrophobicContact CB-CD2 4.47Å; R383-Y387 HydrophobicContact CB-CE1 4.01Å; R383-Y387 HydrophobicContact CB-CE2 4.26Å; R383-Y387 HydrophobicContact CB-CG 4.47Å; R383-Y387 WeakPolarHBondContact CD-OH 3.48Å; R383-Y387 PolarHBondContact O-N 2.99Å |
| 384 | S | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -49.2 | -41.3 | 178.1 | -70 | 0 | 0 | 0 | 0 | 113.8 | Y341 L378 N381 Y387 L388 | Y341-S384 PolarHBondContact OH-OG 3.18Å; L378-S384 VanDerWaalsContact O-CB 3.27Å; L378-S384 WeakPolarHBondContact O-CB 3.45Å; L378-S384 PolarHBondContact O-OG 2.83Å; N381-S384 WeakPolarHBondContact O-CB 3.5Å; N381-S384 PolarHBondContact O-N 3Å; N381-S384 VanDerWaalsContact O-N 3.08Å; N381-S384 PolarHBondContact O-OG 3.49Å; S384-Y387 PolarHBondContact O-N 3.21Å; S384-L388 WeakPolarHBondContact O-CB 3.44Å; S384-L388 PolarHBondContact O-N 2.92Å |
| 385 | P | 94.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 173.9 | -21.4 | 33 | 0 | 0 | 0 | 114.2 | S382 R383 S389 M422 E424 V427 F428 | S382-P385 WeakPolarHBondContact O-CD 3.5Å; R383-P385 VanDerWaalsContact C-N 3.28Å; R383-P385 VanDerWaalsContact O-N 3.17Å; P385-S389 WeakPolarHBondContact O-CB 3.41Å; P385-S389 PolarHBondContact O-N 3.42Å; P385-M422 VanDerWaalsContact CA-SD 3.54Å; P385-M422 HydrophobicContact CB-CE 4.32Å; P385-M422 HydrophobicContact CB-SD 3.61Å; P385-M422 HydrophobicContact CG-CE 4.33Å; P385-M422 HydrophobicContact CG-CG 4.23Å; P385-M422 HydrophobicContact CG-SD 3.64Å; P385-E424 HydrophobicContact CG-CB 4.3Å; P385-V427 HydrophobicContact CB-CB 4.04Å; P385-V427 HydrophobicContact CB-CG1 3.89Å; P385-V427 HydrophobicContact CG-CB 4.26Å; P385-V427 HydrophobicContact CG-CG1 4.23Å; P385-F428 HydrophobicContact CB-CB 4Å; P385-F428 WeakPolarHBondContact O-CD2 3.37Å |
| 386 | E | 92.7 | Very high | 93 | Very high | 6 Ų | 6 | 23.9 Ų | 23.9 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 176.2 | -176.3 | -174.6 | -172.4 | 0 | 0 | 110.2 | R383 L388 S389 L390 Y431 R688 | R383-E386 WeakPolarHBondContact O-CA 3.37Å; R383-E386 WeakPolarHBondContact O-CB 3.38Å; R383-E386 PolarHBondContact O-N 3.46Å; E386-L388 PolarHBondContact O-N 2.63Å; E386-S389 WeakPolarHBondContact O-CB 3.49Å; E386-S389 PolarHBondContact O-N 2.97Å; E386-S389 VanDerWaalsContact O-N 3.15Å; E386-L390 HydrophobicContact CG-CD1 3.98Å; E386-L390 HydrophobicContact CG-CG 4.49Å; E386-L390 WeakPolarHBondContact O-CG 3.3Å; E386-L390 PolarHBondContact O-N 2.92Å; E386-Y431 HydrophobicContact CB-CD2 3.78Å; E386-Y431 HydrophobicContact CB-CE1 4.42Å; E386-Y431 HydrophobicContact CB-CE2 3.67Å; E386-Y431 HydrophobicContact CB-CG 4.23Å; E386-Y431 HydrophobicContact CG-CD1 4.04Å; E386-Y431 HydrophobicContact CG-CD2 4.21Å; E386-Y431 HydrophobicContact CG-CE1 3.93Å; E386-Y431 HydrophobicContact CG-CE2 4.11Å; E386-Y431 HydrophobicContact CG-CG 4.19Å; E386-R688 IonicContact OE1-NE 2.73Å; E386-R688 WeakPolarHBondContact OE2-CD 3.4Å; E386-R688 IonicContact OE2-NE 2.72Å |
| 387 | Y | 93.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 22.9 Ų | 22.9 | 7% | 0.071 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | -175.2 | -72.3 | 3.2 | 0 | 0 | 0 | 112.2 | P338 Y341 R383 S384 S389 L390 F391 | P338-Y387 HydrophobicContact CB-CD1 3.88Å; P338-Y387 HydrophobicContact CB-CE1 4.45Å; P338-Y387 HydrophobicContact CB-CG 3.93Å; P338-Y387 HydrophobicContact CG-CD1 3.8Å; P338-Y387 HydrophobicContact CG-CE1 3.91Å; P338-Y387 HydrophobicContact CG-CG 4.29Å; Y341-Y387 AromaticContact CD1-CD2 3.81Å; Y341-Y387 HydrophobicContact CD1-CD2 3.81Å; Y341-Y387 AromaticContact CD2-CD2 3.87Å; Y341-Y387 HydrophobicContact CD2-CD2 3.87Å; Y341-Y387 HydrophobicContact CD2-CE2 4.08Å; Y341-Y387 HydrophobicContact CE1-CD2 4.14Å; Y341-Y387 HydrophobicContact CE2-CD2 4.16Å; Y341-Y387 HydrophobicContact CE2-CE2 4.39Å; Y341-Y387 AromaticContact CG-CD2 3.67Å; Y341-Y387 HydrophobicContact CG-CD2 3.67Å; Y341-Y387 HydrophobicContact CG-CE2 4.28Å; R383-Y387 HydrophobicContact CB-CD1 4.22Å; R383-Y387 HydrophobicContact CB-CD2 4.47Å; R383-Y387 HydrophobicContact CB-CE1 4.01Å; R383-Y387 HydrophobicContact CB-CE2 4.26Å; R383-Y387 HydrophobicContact CB-CG 4.47Å; R383-Y387 WeakPolarHBondContact CD-OH 3.48Å; R383-Y387 PolarHBondContact O-N 2.99Å; S384-Y387 PolarHBondContact O-N 3.21Å; Y387-S389 VanDerWaalsContact C-N 3.3Å; Y387-S389 PolarHBondContact O-N 2.81Å; Y387-L390 HydrophobicContact CD1-CD1 4.44Å; Y387-L390 PolarHBondContact O-N 3.37Å; Y387-F391 WeakPolarHBondContact O-CB 3.33Å; Y387-F391 PolarHBondContact O-N 3.42Å |
| 388 | L | 96 | Very high | 91.5 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | 173.1 | -175.6 | 60.4 | 0 | 0 | 0 | 111.3 | I342 S384 E386 F391 I392 A415 F419 M422 F428 | I342-L388 HydrophobicContact CD1-CB 3.96Å; I342-L388 HydrophobicContact CD1-CD1 4.15Å; I342-L388 HydrophobicContact CG2-CD1 4.07Å; S384-L388 WeakPolarHBondContact O-CB 3.44Å; S384-L388 PolarHBondContact O-N 2.92Å; E386-L388 PolarHBondContact O-N 2.63Å; L388-F391 PolarHBondContact O-N 3.14Å; L388-I392 HydrophobicContact CD1-CD1 4.26Å; L388-I392 HydrophobicContact CG-CD1 4.1Å; L388-I392 WeakPolarHBondContact O-CG1 3.4Å; L388-I392 PolarHBondContact O-N 2.76Å; L388-A415 HydrophobicContact CD1-CB 4.12Å; L388-F419 HydrophobicContact CD2-CB 3.91Å; L388-F419 HydrophobicContact CD2-CD2 4.27Å; L388-M422 HydrophobicContact CB-CE 4Å; L388-M422 HydrophobicContact CD2-CE 3.58Å; L388-M422 HydrophobicContact CG-CE 4.45Å; L388-F428 HydrophobicContact CB-CD2 4.28Å; L388-F428 HydrophobicContact CB-CE2 4.27Å; L388-F428 HydrophobicContact CD2-CD2 4.26Å; L388-F428 HydrophobicContact CD2-CE2 4.15Å; L388-F428 HydrophobicContact CG-CD2 4.3Å; L388-F428 HydrophobicContact CG-CE2 3.94Å |
| 389 | S | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | P385 E386 Y387 I392 D393 Y432 H435 | P385-S389 WeakPolarHBondContact O-CB 3.41Å; P385-S389 PolarHBondContact O-N 3.42Å; E386-S389 WeakPolarHBondContact O-CB 3.49Å; E386-S389 PolarHBondContact O-N 2.97Å; E386-S389 VanDerWaalsContact O-N 3.15Å; Y387-S389 VanDerWaalsContact C-N 3.3Å; Y387-S389 PolarHBondContact O-N 2.81Å; S389-I392 PolarHBondContact O-N 3.04Å; S389-D393 VanDerWaalsContact O-CB 3.28Å; S389-D393 WeakPolarHBondContact O-CB 3.39Å; S389-D393 PolarHBondContact O-N 2.88Å; S389-Y432 WeakPolarHBondContact OG-CA 3.46Å; S389-Y432 PolarHBondContact OG-N 3.03Å; S389-H435 PolarHBondContact OG-CE1 3.28Å; S389-H435 PolarHBondContact OG-ND1 3.15Å |
| 390 | L | 93 | Very high | 88.6 | Confident | 27 Ų | 27 | 32 Ų | 32 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.1 | -39 | 175.1 | -74.5 | 169.9 | 0 | 0 | 0 | 112.2 | P338 E386 Y387 D393 D394 H435 | P338-L390 HydrophobicContact CB-CB 3.92Å; P338-L390 HydrophobicContact CB-CD1 4.04Å; P338-L390 HydrophobicContact CG-CB 4.41Å; P338-L390 HydrophobicContact CG-CD1 3.68Å; E386-L390 HydrophobicContact CG-CD1 3.98Å; E386-L390 HydrophobicContact CG-CG 4.49Å; E386-L390 WeakPolarHBondContact O-CG 3.3Å; E386-L390 PolarHBondContact O-N 2.92Å; Y387-L390 HydrophobicContact CD1-CD1 4.44Å; Y387-L390 PolarHBondContact O-N 3.37Å; L390-D393 PolarHBondContact O-N 3.48Å; L390-D394 PolarHBondContact O-N 2.98Å; L390-H435 WeakPolarHBondContact CD2-CE1 3.29Å |
| 391 | F | 93.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 174.6 | 176.4 | -90.8 | 0 | 0 | 0 | 111.2 | V339 I342 L346 Y387 L388 D393 D394 K395 I411 A415 | V339-F391 HydrophobicContact CB-CD2 4.49Å; V339-F391 HydrophobicContact CG1-CD2 4.06Å; V339-F391 HydrophobicContact CG1-CE2 4.27Å; I342-F391 HydrophobicContact CB-CB 3.92Å; I342-F391 HydrophobicContact CB-CD1 4.49Å; I342-F391 HydrophobicContact CB-CD2 3.72Å; I342-F391 HydrophobicContact CB-CE2 4.36Å; I342-F391 HydrophobicContact CB-CG 3.8Å; I342-F391 HydrophobicContact CG1-CB 3.88Å; I342-F391 HydrophobicContact CG1-CG 4.33Å; I342-F391 HydrophobicContact CG2-CB 4Å; I342-F391 HydrophobicContact CG2-CD1 3.73Å; I342-F391 HydrophobicContact CG2-CD2 3.73Å; I342-F391 HydrophobicContact CG2-CE1 4.09Å; I342-F391 HydrophobicContact CG2-CE2 4.09Å; I342-F391 HydrophobicContact CG2-CG 3.54Å; I342-F391 HydrophobicContact CG2-CZ 4.26Å; L346-F391 HydrophobicContact CD1-CE1 4.09Å; L346-F391 HydrophobicContact CD1-CZ 3.79Å; Y387-F391 WeakPolarHBondContact O-CB 3.33Å; Y387-F391 PolarHBondContact O-N 3.42Å; L388-F391 PolarHBondContact O-N 3.14Å; F391-D393 VanDerWaalsContact C-N 3.33Å; F391-D393 PolarHBondContact O-N 3.23Å; F391-D394 WeakPolarHBondContact O-CB 3.38Å; F391-D394 PolarHBondContact O-N 3.31Å; F391-K395 HydrophobicContact CD1-CG 4.5Å; F391-K395 HydrophobicContact CE1-CG 4.16Å; F391-K395 HydrophobicContact CZ-CG 4.32Å; F391-K395 WeakPolarHBondContact O-CG 3.31Å; F391-K395 PolarHBondContact O-N 3.47Å; F391-K395 VanDerWaalsContact O-N 3.12Å; F391-I411 HydrophobicContact CE1-CG2 3.66Å; F391-I411 HydrophobicContact CZ-CG2 3.8Å; F391-A415 HydrophobicContact CE1-CB 4.42Å |
| 392 | I | 94.6 | Very high | 86.1 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 177.6 | -64.7 | 162.7 | 0 | 0 | 0 | 110.7 | L388 S389 D394 K395 L396 L412 A415 F428 Y432 M454 | L388-I392 HydrophobicContact CD1-CD1 4.26Å; L388-I392 HydrophobicContact CG-CD1 4.1Å; L388-I392 WeakPolarHBondContact O-CG1 3.4Å; L388-I392 PolarHBondContact O-N 2.76Å; S389-I392 PolarHBondContact O-N 3.04Å; I392-D394 VanDerWaalsContact C-N 3.33Å; I392-D394 PolarHBondContact O-N 3.04Å; I392-K395 PolarHBondContact O-N 2.97Å; I392-L396 HydrophobicContact CG2-CD1 3.63Å; I392-L396 HydrophobicContact CG2-CG 4.27Å; I392-L396 WeakPolarHBondContact O-CB 3.39Å; I392-L396 WeakPolarHBondContact O-CG 3.33Å; I392-L396 PolarHBondContact O-N 3.36Å; I392-L412 HydrophobicContact CG2-CD2 3.92Å; I392-A415 HydrophobicContact CD1-CB 4.34Å; I392-A415 HydrophobicContact CG1-CB 4.19Å; I392-F428 HydrophobicContact CD1-CE2 3.91Å; I392-F428 HydrophobicContact CD1-CZ 3.84Å; I392-Y432 HydrophobicContact CG2-CE2 3.82Å; I392-M454 HydrophobicContact CD1-CE 3.73Å; I392-M454 HydrophobicContact CG2-CE 4.41Å; I392-M454 HydrophobicContact CG2-CG 4.34Å; I392-M454 HydrophobicContact CG2-SD 4.29Å |
| 393 | D | 91.9 | Very high | 85.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -37.8 | 174.7 | 178.7 | 65 | 0 | 0 | 0 | 112.8 | S389 L390 F391 K397 H435 R438 R439 | S389-D393 VanDerWaalsContact O-CB 3.28Å; S389-D393 WeakPolarHBondContact O-CB 3.39Å; S389-D393 PolarHBondContact O-N 2.88Å; L390-D393 PolarHBondContact O-N 3.48Å; F391-D393 VanDerWaalsContact C-N 3.33Å; F391-D393 PolarHBondContact O-N 3.23Å; D393-K397 WeakPolarHBondContact O-CD 3.23Å; D393-K397 WeakPolarHBondContact O-CG 3.14Å; D393-K397 PolarHBondContact O-N 3.39Å; D393-K397 WeakPolarHBondContact OD1-CE 3.47Å; D393-K397 IonicContact OD1-NZ 3.6Å; D393-K397 WeakPolarHBondContact OD2-CE 3.31Å; D393-K397 IonicContact OD2-NZ 3.57Å; D393-K397 PolarHBondContact OD2-NZ 3.02Å; D393-H435 HydrophobicContact CB-CB 4Å; D393-R438 VanDerWaalsContact CG-NH2 3.35Å; D393-R438 IonicContact OD1-NH2 3.36Å; D393-R438 PolarHBondContact OD1-NH2 3.14Å; D393-R438 IonicContact OD2-CZ 3.67Å; D393-R438 IonicContact OD2-NH2 2.63Å; D393-R438 PolarHBondContact OD2-NH2 3.32Å; D393-R439 VanDerWaalsContact OD1-CD 3.29Å; D393-R439 WeakPolarHBondContact OD1-CD 3.39Å; D393-R439 WeakPolarHBondContact OD1-CG 3.46Å; D393-R439 IonicContact OD1-CZ 2.67Å; D393-R439 IonicContact OD1-NE 2.83Å; D393-R439 IonicContact OD1-NH1 3.45Å; D393-R439 PolarHBondContact OD1-NH1 2.92Å |
| 394 | D | 90.1 | Very high | 85.3 | Confident | 49 Ų | 49 | 40.6 Ų | 40.6 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.5 | -52.3 | 171.7 | -178.9 | 69.9 | 0 | 0 | 0 | 110.5 | V339 L390 F391 I392 L396 K397 V400 | V339-D394 HydrophobicContact CG2-CB 4.11Å; L390-D394 PolarHBondContact O-N 2.98Å; F391-D394 WeakPolarHBondContact O-CB 3.38Å; F391-D394 PolarHBondContact O-N 3.31Å; I392-D394 VanDerWaalsContact C-N 3.33Å; I392-D394 PolarHBondContact O-N 3.04Å; D394-L396 VanDerWaalsContact C-N 3.26Å; D394-L396 PolarHBondContact O-N 3.07Å; D394-K397 PolarHBondContact O-N 2.7Å; D394-V400 WeakPolarHBondContact O-CG2 3.49Å |
| 395 | K | 89.8 | Confident | 84.7 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 12% | 0.122 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -24.5 | -177 | -56.7 | -49.5 | 172.9 | -148.7 | 0 | 114.5 | F391 I392 L403 I411 | F391-K395 HydrophobicContact CD1-CG 4.5Å; F391-K395 HydrophobicContact CE1-CG 4.16Å; F391-K395 HydrophobicContact CZ-CG 4.32Å; F391-K395 WeakPolarHBondContact O-CG 3.31Å; F391-K395 PolarHBondContact O-N 3.47Å; F391-K395 VanDerWaalsContact O-N 3.12Å; I392-K395 PolarHBondContact O-N 2.97Å; K395-L403 HydrophobicContact CD-CD1 4.44Å; K395-I411 HydrophobicContact CG-CG2 4.02Å |
| 396 | L | 91.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 2.6 | 178.9 | -68.3 | 175.1 | 0 | 0 | 0 | 114.2 | I392 D394 V408 L412 S445 V446 M454 | I392-L396 HydrophobicContact CG2-CD1 3.63Å; I392-L396 HydrophobicContact CG2-CG 4.27Å; I392-L396 WeakPolarHBondContact O-CB 3.39Å; I392-L396 WeakPolarHBondContact O-CG 3.33Å; I392-L396 PolarHBondContact O-N 3.36Å; D394-L396 VanDerWaalsContact C-N 3.26Å; D394-L396 PolarHBondContact O-N 3.07Å; L396-V408 HydrophobicContact CD2-CG1 4.18Å; L396-L412 HydrophobicContact CD2-CD1 4.25Å; L396-S445 CarbonylContact O-C 3.52Å; L396-S445 WeakPolarHBondContact O-CA 3.5Å; L396-V446 WeakPolarHBondContact O-CG2 3.45Å; L396-V446 PolarHBondContact O-N 2.92Å; L396-M454 HydrophobicContact CD1-CB 4.36Å; L396-M454 HydrophobicContact CD1-CG 4.36Å |
| 397 | K | 87 | Confident | 84.2 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -88.8 | 137.6 | 177.7 | -86.2 | 165 | 175 | 165.7 | 0 | 113.4 | D393 D394 G399 V400 R439 K444 V446 | D393-K397 WeakPolarHBondContact O-CD 3.23Å; D393-K397 WeakPolarHBondContact O-CG 3.14Å; D393-K397 PolarHBondContact O-N 3.39Å; D393-K397 WeakPolarHBondContact OD1-CE 3.47Å; D393-K397 IonicContact OD1-NZ 3.6Å; D393-K397 WeakPolarHBondContact OD2-CE 3.31Å; D393-K397 IonicContact OD2-NZ 3.57Å; D393-K397 PolarHBondContact OD2-NZ 3.02Å; D394-K397 PolarHBondContact O-N 2.7Å; K397-G399 PolarHBondContact O-N 3.28Å; K397-V400 HydrophobicContact CB-CG2 4.18Å; K397-V400 WeakPolarHBondContact O-CG2 3.47Å; K397-V400 PolarHBondContact O-N 3.31Å; K397-R439 HydrophobicContact CG-CG 4.29Å; K397-K444 CarbonylContact C-O 3.28Å; K397-K444 WeakPolarHBondContact CA-O 3.47Å; K397-V446 VanDerWaalsContact C-CG2 3.41Å; K397-V446 VanDerWaalsContact O-CG2 3.26Å; K397-V446 WeakPolarHBondContact O-CG2 3.25Å |
| 398 | K | 72.9 | Confident | 83.8 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 132 | 169.5 | -89.9 | 170.2 | 177 | 160.9 | 0 | 110.9 | K444 S445 | K398-K444 PolarHBondContact N-O 3.27Å; K398-S445 VanDerWaalsContact CD-O 3.26Å; K398-S445 WeakPolarHBondContact CD-O 3.31Å; K398-S445 WeakPolarHBondContact CE-O 3.44Å; K398-S445 VanDerWaalsContact CG-O 3.23Å; K398-S445 WeakPolarHBondContact CG-O 3.4Å |
| 399 | G | 65.2 | Low | 83.6 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 88% | 0.876 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | 4.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | K397 K401 | K397-G399 PolarHBondContact O-N 3.28Å; G399-K401 PolarHBondContact O-N 3.43Å |
| 400 | V | 62.6 | Low | 83.4 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 21% | 0.212 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -76.9 | 104.4 | 170 | 176.9 | 0 | 0 | 0 | 0 | 110 | D394 K397 G402 | D394-V400 WeakPolarHBondContact O-CG2 3.49Å; K397-V400 HydrophobicContact CB-CG2 4.18Å; K397-V400 WeakPolarHBondContact O-CG2 3.47Å; K397-V400 PolarHBondContact O-N 3.31Å; V400-G402 PolarHBondContact O-N 3.03Å; V400-G402 VanDerWaalsContact O-N 3.08Å |
| 401 | K | 63.6 | Low | 83.3 | Confident | 194 Ų | 194 | 63.8 Ų | 63.8 | 84% | 0.843 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 22.4 | 68.9 | 161.8 | -64.3 | -173.9 | 177.1 | -178.5 | 0 | 116.9 | G399 L403 | G399-K401 PolarHBondContact O-N 3.43Å; K401-L403 PolarHBondContact O-N 3.11Å |
| 402 | G | 68.8 | Low | 83.3 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 85% | 0.845 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 18.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | V400 | V400-G402 PolarHBondContact O-N 3.03Å; V400-G402 VanDerWaalsContact O-N 3.08Å |
| 403 | L | 77.4 | Confident | 83.3 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | trans | -72.6 | 135.4 | -179.6 | -69.4 | 170.5 | 0 | 0 | 0 | 109.6 | K395 K401 E407 V408 I411 | K395-L403 HydrophobicContact CD-CD1 4.44Å; K401-L403 PolarHBondContact O-N 3.11Å; L403-E407 HydrophobicContact CD2-CB 4.11Å; L403-V408 HydrophobicContact CB-CG2 3.97Å; L403-V408 HydrophobicContact CD1-CG2 4.45Å; L403-I411 HydrophobicContact CD1-CD1 4.09Å | ||
| 404 | T | 83.8 | Confident | 83.4 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | trans | -70.8 | 156.2 | 169.5 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | Q406 E407 V408 | T404-Q406 PolarHBondContact O-N 3.4Å; T404-E407 PolarHBondContact N-OE2 2.93Å; T404-E407 PolarHBondContact O-N 2.86Å; T404-E407 VanDerWaalsContact O-N 3.17Å; T404-E407 VanDerWaalsContact OG1-CD 3.31Å; T404-E407 VanDerWaalsContact OG1-CG 3.22Å; T404-E407 WeakPolarHBondContact OG1-CG 3.46Å; T404-E407 PolarHBondContact OG1-N 3.34Å; T404-E407 PolarHBondContact OG1-OE2 2.96Å; T404-V408 WeakPolarHBondContact O-CG2 3.46Å; T404-V408 PolarHBondContact O-N 3.32Å | ||
| 405 | E | 81.2 | Confident | 83.7 | Confident | 118 Ų | 118 | 69.4 Ų | 69.4 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.9 | -33.2 | 177.2 | -68.8 | -171.1 | 154.4 | 0 | 0 | 112.3 | V408 E409 S447 | E405-V408 PolarHBondContact O-N 2.79Å; E405-E409 PolarHBondContact O-N 2.82Å; E405-S447 PolarHBondContact OE1-OG 2.91Å |
| 406 | Q | 87.1 | Confident | 84 | Confident | 150 Ų | 150 | 68.5 Ų | 68.5 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -71.6 | -36.6 | 178.7 | -167.8 | 166.7 | 9.6 | 0 | 0 | 113 | T404 E409 T410 | T404-Q406 PolarHBondContact O-N 3.4Å; Q406-E409 PolarHBondContact O-N 2.85Å; Q406-T410 PolarHBondContact O-N 2.78Å; Q406-T410 PolarHBondContact O-OG1 2.86Å |
| 407 | E | 88.3 | Confident | 84.1 | Confident | 93 Ų | 93 | 70 Ų | 70 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 171.9 | -72.8 | 166.6 | 137.7 | 0 | 0 | 111.1 | L403 T404 E409 T410 I411 | L403-E407 HydrophobicContact CD2-CB 4.11Å; T404-E407 PolarHBondContact N-OE2 2.93Å; T404-E407 PolarHBondContact O-N 2.86Å; T404-E407 VanDerWaalsContact O-N 3.17Å; T404-E407 VanDerWaalsContact OG1-CD 3.31Å; T404-E407 VanDerWaalsContact OG1-CG 3.22Å; T404-E407 WeakPolarHBondContact OG1-CG 3.46Å; T404-E407 PolarHBondContact OG1-N 3.34Å; T404-E407 PolarHBondContact OG1-OE2 2.96Å; E407-E409 VanDerWaalsContact C-N 3.34Å; E407-E409 PolarHBondContact O-N 3.25Å; E407-T410 PolarHBondContact O-N 2.84Å; E407-I411 VanDerWaalsContact O-CG1 3.27Å; E407-I411 WeakPolarHBondContact O-CG1 3.41Å; E407-I411 PolarHBondContact O-N 2.98Å |
| 408 | V | 87 | Confident | 84.6 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.024 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.2 | -48.9 | 174 | 174 | 0 | 0 | 0 | 0 | 109.8 | L396 L403 T404 E405 T410 I411 L412 | L396-V408 HydrophobicContact CD2-CG1 4.18Å; L403-V408 HydrophobicContact CB-CG2 3.97Å; L403-V408 HydrophobicContact CD1-CG2 4.45Å; T404-V408 WeakPolarHBondContact O-CG2 3.46Å; T404-V408 PolarHBondContact O-N 3.32Å; E405-V408 PolarHBondContact O-N 2.79Å; V408-T410 VanDerWaalsContact C-N 3.34Å; V408-T410 PolarHBondContact O-N 3.26Å; V408-I411 PolarHBondContact O-N 3.38Å; V408-I411 VanDerWaalsContact O-N 3.14Å; V408-L412 HydrophobicContact CG1-CD1 4.16Å; V408-L412 HydrophobicContact CG1-CG 4.27Å; V408-L412 VanDerWaalsContact O-CG 3.31Å; V408-L412 WeakPolarHBondContact O-CG 3.17Å; V408-L412 PolarHBondContact O-N 3.42Å |
| 409 | E | 90.1 | Very high | 85.7 | Confident | 76 Ų | 76 | 61.5 Ų | 61.5 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 178.2 | 178.2 | 160.3 | -144.3 | 0 | 0 | 112.6 | E405 Q406 E407 I411 L412 D413 N453 K457 | E405-E409 PolarHBondContact O-N 2.82Å; Q406-E409 PolarHBondContact O-N 2.85Å; E407-E409 VanDerWaalsContact C-N 3.34Å; E407-E409 PolarHBondContact O-N 3.25Å; E409-I411 VanDerWaalsContact C-N 3.28Å; E409-I411 PolarHBondContact O-N 3.34Å; E409-L412 WeakPolarHBondContact O-CB 3.21Å; E409-L412 PolarHBondContact O-N 2.73Å; E409-L412 VanDerWaalsContact O-N 3.1Å; E409-D413 PolarHBondContact O-N 3.39Å; E409-N453 PolarHBondContact OE1-ND2 3.48Å; E409-K457 IonicContact OE1-NZ 2.84Å; E409-K457 PolarHBondContact OE1-NZ 2.84Å |
| 410 | T | 92.3 | Very high | 87.1 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 177.9 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | Q406 E407 V408 K414 | Q406-T410 PolarHBondContact O-N 2.78Å; Q406-T410 PolarHBondContact O-OG1 2.86Å; E407-T410 PolarHBondContact O-N 2.84Å; V408-T410 VanDerWaalsContact C-N 3.34Å; V408-T410 PolarHBondContact O-N 3.26Å; T410-K414 WeakPolarHBondContact O-CG 3.34Å; T410-K414 PolarHBondContact O-N 3.33Å; T410-K414 VanDerWaalsContact O-N 3.16Å |
| 411 | I | 91.1 | Very high | 88.6 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 19% | 0.185 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.4 | -67 | 164.3 | 0 | 0 | 0 | 110.8 | F391 K395 L403 E407 V408 E409 K414 A415 | F391-I411 HydrophobicContact CE1-CG2 3.66Å; F391-I411 HydrophobicContact CZ-CG2 3.8Å; K395-I411 HydrophobicContact CG-CG2 4.02Å; L403-I411 HydrophobicContact CD1-CD1 4.09Å; E407-I411 VanDerWaalsContact O-CG1 3.27Å; E407-I411 WeakPolarHBondContact O-CG1 3.41Å; E407-I411 PolarHBondContact O-N 2.98Å; V408-I411 PolarHBondContact O-N 3.38Å; V408-I411 VanDerWaalsContact O-N 3.14Å; E409-I411 VanDerWaalsContact C-N 3.28Å; E409-I411 PolarHBondContact O-N 3.34Å; I411-K414 PolarHBondContact O-N 3.31Å; I411-A415 WeakPolarHBondContact O-CB 3.43Å; I411-A415 PolarHBondContact O-N 3.06Å |
| 412 | L | 93.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 176.8 | -64.7 | -179.6 | 0 | 0 | 0 | 111.4 | I392 L396 V408 E409 K414 A415 M416 M454 | I392-L412 HydrophobicContact CG2-CD2 3.92Å; L396-L412 HydrophobicContact CD2-CD1 4.25Å; V408-L412 HydrophobicContact CG1-CD1 4.16Å; V408-L412 HydrophobicContact CG1-CG 4.27Å; V408-L412 VanDerWaalsContact O-CG 3.31Å; V408-L412 WeakPolarHBondContact O-CG 3.17Å; V408-L412 PolarHBondContact O-N 3.42Å; E409-L412 WeakPolarHBondContact O-CB 3.21Å; E409-L412 PolarHBondContact O-N 2.73Å; E409-L412 VanDerWaalsContact O-N 3.1Å; L412-K414 VanDerWaalsContact C-N 3.34Å; L412-K414 PolarHBondContact O-N 3.08Å; L412-A415 PolarHBondContact O-N 2.94Å; L412-M416 VanDerWaalsContact O-CG 3.29Å; L412-M416 WeakPolarHBondContact O-CG 3.36Å; L412-M416 PolarHBondContact O-N 2.86Å; L412-M454 HydrophobicContact CB-SD 4.26Å; L412-M454 HydrophobicContact CD1-CB 4.25Å; L412-M454 HydrophobicContact CD1-SD 4.2Å; L412-M454 HydrophobicContact CD2-SD 3.84Å; L412-M454 HydrophobicContact CG-SD 4.31Å |
| 413 | D | 94.9 | Very high | 91.2 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 176 | -76.1 | -31.1 | 0 | 0 | 0 | 111.9 | E409 M416 V417 K457 | E409-D413 PolarHBondContact O-N 3.39Å; D413-M416 PolarHBondContact O-N 3.15Å; D413-V417 WeakPolarHBondContact O-CG2 3.41Å; D413-V417 PolarHBondContact O-N 3.18Å; D413-V417 VanDerWaalsContact O-N 3.14Å; D413-K457 WeakPolarHBondContact OD1-CD 3.3Å; D413-K457 WeakPolarHBondContact OD1-CE 3.15Å; D413-K457 IonicContact OD1-NZ 3.52Å; D413-K457 PolarHBondContact OD1-NZ 3.38Å; D413-K457 IonicContact OD2-NZ 3.61Å |
| 414 | K | 94.6 | Very high | 91.9 | Very high | 99 Ų | 99 | 52.4 Ų | 52.4 | 43% | 0.43 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 174.9 | -73.3 | -178.2 | -178.8 | -174.4 | 0 | 112 | L346 T410 I411 L412 M416 V417 L418 | L346-K414 HydrophobicContact CD2-CB 3.95Å; T410-K414 WeakPolarHBondContact O-CG 3.34Å; T410-K414 PolarHBondContact O-N 3.33Å; T410-K414 VanDerWaalsContact O-N 3.16Å; I411-K414 PolarHBondContact O-N 3.31Å; L412-K414 VanDerWaalsContact C-N 3.34Å; L412-K414 PolarHBondContact O-N 3.08Å; K414-M416 VanDerWaalsContact C-N 3.28Å; K414-M416 PolarHBondContact O-N 3.49Å; K414-V417 WeakPolarHBondContact O-CB 3.4Å; K414-V417 PolarHBondContact O-N 2.74Å; K414-V417 VanDerWaalsContact O-N 3.13Å; K414-L418 PolarHBondContact O-N 2.98Å |
| 415 | A | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L388 F391 I392 I411 L412 V417 L418 F419 | L388-A415 HydrophobicContact CD1-CB 4.12Å; F391-A415 HydrophobicContact CE1-CB 4.42Å; I392-A415 HydrophobicContact CD1-CB 4.34Å; I392-A415 HydrophobicContact CG1-CB 4.19Å; I411-A415 WeakPolarHBondContact O-CB 3.43Å; I411-A415 PolarHBondContact O-N 3.06Å; L412-A415 PolarHBondContact O-N 2.94Å; A415-V417 VanDerWaalsContact C-N 3.29Å; A415-V417 PolarHBondContact O-N 3.43Å; A415-L418 PolarHBondContact O-N 3.37Å; A415-L418 VanDerWaalsContact O-N 3.15Å; A415-F419 PolarHBondContact O-N 3.08Å |
| 416 | M | 95.7 | Very high | 93 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 4% | 0.044 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.7 | -27.4 | 175.8 | -71.9 | -55 | -58.4 | 0 | 0 | 113.1 | L412 D413 K414 F419 R420 M454 K457 L458 E461 | L412-M416 VanDerWaalsContact O-CG 3.29Å; L412-M416 WeakPolarHBondContact O-CG 3.36Å; L412-M416 PolarHBondContact O-N 2.86Å; D413-M416 PolarHBondContact O-N 3.15Å; K414-M416 VanDerWaalsContact C-N 3.28Å; K414-M416 PolarHBondContact O-N 3.49Å; M416-F419 HydrophobicContact CE-CB 4.2Å; M416-F419 HydrophobicContact CE-CD1 3.44Å; M416-F419 VanDerWaalsContact CE-CD1 3.44Å; M416-F419 HydrophobicContact CE-CE1 4.06Å; M416-F419 HydrophobicContact CE-CG 4.02Å; M416-F419 PolarHBondContact O-N 3.27Å; M416-F419 HydrophobicContact SD-CB 4.19Å; M416-F419 HydrophobicContact SD-CD1 4.32Å; M416-F419 HydrophobicContact SD-CG 4.33Å; M416-R420 PolarHBondContact O-N 3.1Å; M416-R420 VanDerWaalsContact O-N 3.1Å; M416-M454 HydrophobicContact CG-CE 4.28Å; M416-M454 HydrophobicContact SD-CE 3.36Å; M416-M454 WeakPolarHBondContact SD-CE 3.26Å; M416-M454 HydrophobicContact SD-SD 4.38Å; M416-K457 HydrophobicContact CE-CB 4.49Å; M416-K457 HydrophobicContact CG-CB 4.09Å; M416-K457 HydrophobicContact CG-CD 4.22Å; M416-K457 HydrophobicContact SD-CB 4.47Å; M416-L458 HydrophobicContact CE-CD2 4.03Å; M416-L458 HydrophobicContact SD-CD2 4.03Å; M416-E461 HydrophobicContact CE-CB 4.22Å; M416-E461 HydrophobicContact CE-CG 3.56Å |
| 417 | V | 94.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 19% | 0.188 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 169.2 | -175 | 0 | 0 | 0 | 0 | 110.9 | D413 K414 A415 R420 F421 | D413-V417 WeakPolarHBondContact O-CG2 3.41Å; D413-V417 PolarHBondContact O-N 3.18Å; D413-V417 VanDerWaalsContact O-N 3.14Å; K414-V417 WeakPolarHBondContact O-CB 3.4Å; K414-V417 PolarHBondContact O-N 2.74Å; K414-V417 VanDerWaalsContact O-N 3.13Å; A415-V417 VanDerWaalsContact C-N 3.29Å; A415-V417 PolarHBondContact O-N 3.43Å; V417-R420 PolarHBondContact O-N 2.79Å; V417-F421 HydrophobicContact CG1-CE2 3.82Å; V417-F421 HydrophobicContact CG1-CZ 4.1Å; V417-F421 WeakPolarHBondContact O-CD2 3.4Å |
| 418 | L | 96.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.9 | -40 | 175.5 | -64 | -177.1 | 0 | 0 | 0 | 112 | I342 L345 L346 F374 L378 K414 A415 R420 F421 M422 | I342-L418 HydrophobicContact CG2-CD1 4.11Å; L345-L418 HydrophobicContact CB-CD1 3.95Å; L345-L418 HydrophobicContact CB-CD2 4.45Å; L346-L418 HydrophobicContact CD2-CD1 3.44Å; L346-L418 VanDerWaalsContact CD2-CD1 3.44Å; L346-L418 HydrophobicContact CD2-CG 3.72Å; L346-L418 HydrophobicContact CG-CD1 3.84Å; F374-L418 HydrophobicContact CD1-CD2 4.13Å; F374-L418 HydrophobicContact CE1-CD2 4.4Å; L378-L418 VanDerWaalsContact CD2-O 3.22Å; L378-L418 WeakPolarHBondContact CD2-O 3.28Å; K414-L418 PolarHBondContact O-N 2.98Å; A415-L418 PolarHBondContact O-N 3.37Å; A415-L418 VanDerWaalsContact O-N 3.15Å; L418-R420 PolarHBondContact O-N 2.94Å; L418-F421 HydrophobicContact CD2-CD2 4.46Å; L418-F421 PolarHBondContact O-N 3.38Å; L418-F421 VanDerWaalsContact O-N 3.08Å; L418-M422 PolarHBondContact O-N 3.15Å |
| 419 | F | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.9 | -38.4 | 176.2 | 178.2 | -101.2 | 0 | 0 | 0 | 112.4 | L388 A415 M416 F421 M422 K425 F428 L458 E461 C462 F466 | L388-F419 HydrophobicContact CD2-CB 3.91Å; L388-F419 HydrophobicContact CD2-CD2 4.27Å; A415-F419 PolarHBondContact O-N 3.08Å; M416-F419 HydrophobicContact CE-CB 4.2Å; M416-F419 HydrophobicContact CE-CD1 3.44Å; M416-F419 VanDerWaalsContact CE-CD1 3.44Å; M416-F419 HydrophobicContact CE-CE1 4.06Å; M416-F419 HydrophobicContact CE-CG 4.02Å; M416-F419 PolarHBondContact O-N 3.27Å; M416-F419 HydrophobicContact SD-CB 4.19Å; M416-F419 HydrophobicContact SD-CD1 4.32Å; M416-F419 HydrophobicContact SD-CG 4.33Å; F419-F421 VanDerWaalsContact C-N 3.29Å; F419-F421 PolarHBondContact O-N 3.36Å; F419-M422 VanDerWaalsContact O-CB 3.23Å; F419-M422 WeakPolarHBondContact O-CB 3.27Å; F419-M422 PolarHBondContact O-N 3.29Å; F419-M422 VanDerWaalsContact O-N 3.08Å; F419-K425 HydrophobicContact CE1-CD 3.85Å; F419-K425 HydrophobicContact CE1-CG 4.34Å; F419-K425 HydrophobicContact CE2-CB 4.04Å; F419-K425 HydrophobicContact CE2-CD 4.32Å; F419-K425 HydrophobicContact CE2-CG 3.91Å; F419-K425 HydrophobicContact CZ-CB 3.89Å; F419-K425 HydrophobicContact CZ-CD 3.67Å; F419-K425 HydrophobicContact CZ-CG 3.75Å; F419-K425 WeakPolarHBondContact O-CE 3.49Å; F419-F428 AromaticContact CD2-CD1 3.96Å; F419-F428 HydrophobicContact CD2-CD1 3.96Å; F419-F428 HydrophobicContact CD2-CD2 4.35Å; F419-F428 HydrophobicContact CD2-CE1 4.16Å; F419-F428 HydrophobicContact CD2-CG 4.06Å; F419-F428 HydrophobicContact CD2-CZ 4.44Å; F419-F428 HydrophobicContact CE2-CB 4.2Å; F419-F428 AromaticContact CE2-CD1 3.41Å; F419-F428 HydrophobicContact CE2-CD1 3.41Å; F419-F428 VanDerWaalsContact CE2-CD1 3.41Å; F419-F428 AromaticContact CE2-CE1 3.86Å; F419-F428 HydrophobicContact CE2-CE1 3.86Å; F419-F428 AromaticContact CE2-CG 3.78Å; F419-F428 HydrophobicContact CE2-CG 3.78Å; F419-F428 HydrophobicContact CZ-CD1 4.36Å; F419-L458 HydrophobicContact CE1-CD2 4.19Å; F419-L458 HydrophobicContact CE2-CD2 4.29Å; F419-L458 HydrophobicContact CZ-CD2 4.03Å; F419-E461 HydrophobicContact CD1-CB 4.43Å; F419-E461 HydrophobicContact CE1-CB 4.09Å; F419-C462 VanDerWaalsContact CE1-SG 3.54Å; F419-C462 VanDerWaalsContact CZ-SG 3.58Å; F419-F466 HydrophobicContact CZ-CZ 4.27Å |
| 420 | R | 94.5 | Very high | 94.1 | Very high | 127 Ų | 127 | 32.1 Ų | 32.1 | 48% | 0.479 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.9 | -37.5 | 177.3 | -77.5 | -172.8 | -71.2 | -176.2 | -2.5 | 113.1 | M416 V417 L418 M422 K425 E461 | M416-R420 PolarHBondContact O-N 3.1Å; M416-R420 VanDerWaalsContact O-N 3.1Å; V417-R420 PolarHBondContact O-N 2.79Å; L418-R420 PolarHBondContact O-N 2.94Å; R420-M422 PolarHBondContact O-N 3.26Å; R420-K425 PolarHBondContact O-NZ 3.45Å; R420-E461 WeakPolarHBondContact CD-OE2 3.45Å; R420-E461 HydrophobicContact CG-CG 4.39Å; R420-E461 WeakPolarHBondContact CG-OE2 3.42Å |
| 421 | F | 94.6 | Very high | 94.1 | Very high | 29 Ų | 29 | 29.5 Ų | 29.5 | 13% | 0.127 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -8.1 | 177.5 | -57.3 | -41 | 0 | 0 | 0 | 113.5 | A371 F374 E375 L378 N379 V417 L418 F419 | A371-F421 HydrophobicContact CB-CE1 3.88Å; A371-F421 HydrophobicContact CB-CZ 4.24Å; F374-F421 HydrophobicContact CB-CD2 3.63Å; F374-F421 HydrophobicContact CB-CE2 3.76Å; F374-F421 HydrophobicContact CB-CG 4.16Å; F374-F421 HydrophobicContact CB-CZ 4.4Å; F374-F421 HydrophobicContact CD1-CD2 4.48Å; F374-F421 HydrophobicContact CG-CD2 4.33Å; F374-F421 HydrophobicContact CG-CE2 4.19Å; E375-F421 HydrophobicContact CB-CB 4.28Å; L378-F421 HydrophobicContact CD2-CB 3.9Å; N379-F421 PolarHBondContact ND2-O 3.2Å; V417-F421 HydrophobicContact CG1-CE2 3.82Å; V417-F421 HydrophobicContact CG1-CZ 4.1Å; V417-F421 WeakPolarHBondContact O-CD2 3.4Å; L418-F421 HydrophobicContact CD2-CD2 4.46Å; L418-F421 PolarHBondContact O-N 3.38Å; L418-F421 VanDerWaalsContact O-N 3.08Å; F419-F421 VanDerWaalsContact C-N 3.29Å; F419-F421 PolarHBondContact O-N 3.36Å |
| 422 | M | 94.2 | Very high | 94.3 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | trans | -80.1 | 134.4 | 179.9 | -166.2 | 172.3 | -71.7 | 0 | 0 | 111.4 | L378 P385 L388 L418 F419 R420 K425 F428 | L378-M422 HydrophobicContact CD2-CB 4.27Å; L378-M422 HydrophobicContact CD2-CE 4.49Å; P385-M422 VanDerWaalsContact CA-SD 3.54Å; P385-M422 HydrophobicContact CB-CE 4.32Å; P385-M422 HydrophobicContact CB-SD 3.61Å; P385-M422 HydrophobicContact CG-CE 4.33Å; P385-M422 HydrophobicContact CG-CG 4.23Å; P385-M422 HydrophobicContact CG-SD 3.64Å; L388-M422 HydrophobicContact CB-CE 4Å; L388-M422 HydrophobicContact CD2-CE 3.58Å; L388-M422 HydrophobicContact CG-CE 4.45Å; L418-M422 PolarHBondContact O-N 3.15Å; F419-M422 VanDerWaalsContact O-CB 3.23Å; F419-M422 WeakPolarHBondContact O-CB 3.27Å; F419-M422 PolarHBondContact O-N 3.29Å; F419-M422 VanDerWaalsContact O-N 3.08Å; R420-M422 PolarHBondContact O-N 3.26Å; M422-K425 PolarHBondContact O-NZ 3.26Å; M422-F428 HydrophobicContact SD-CB 4Å | ||
| 423 | Q | 92 | Very high | 94.3 | Very high | 70 Ų | 70 | 28.4 Ų | 28.4 | 33% | 0.327 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -86.3 | -40.8 | 177 | -71.1 | 177.4 | 3.6 | 0 | 0 | 112 | E375 N379 K425 F734 | E375-Q423 PolarHBondContact OE1-NE2 3.39Å; E375-Q423 VanDerWaalsContact OE1-NE2 3.15Å; N379-Q423 WeakPolarHBondContact OD1-CB 3.22Å; N379-Q423 PolarHBondContact OD1-N 2.9Å; Q423-K425 PolarHBondContact O-N 2.86Å; Q423-F734 VanDerWaalsContact O-CA 3.31Å; Q423-F734 WeakPolarHBondContact O-CA 3.48Å |
| 424 | E | 92.6 | Very high | 94.1 | Very high | 38 Ų | 38 | 26.9 Ų | 26.9 | 18% | 0.178 | 12% | 0.118 | C | C | . | . | trans | -92 | 65.3 | -178.3 | -57.1 | -161.3 | 98.4 | 0 | 0 | 112.6 | P385 D426 V427 F428 R692 R699 | P385-E424 HydrophobicContact CG-CB 4.3Å; E424-D426 VanDerWaalsContact C-N 3.29Å; E424-D426 PolarHBondContact O-N 3.35Å; E424-V427 HydrophobicContact CB-CB 4.17Å; E424-V427 HydrophobicContact CB-CG2 3.84Å; E424-V427 PolarHBondContact O-N 2.89Å; E424-F428 PolarHBondContact O-N 3.31Å; E424-R692 VanDerWaalsContact CD-NH2 3.3Å; E424-R692 IonicContact OE1-CZ 2.93Å; E424-R692 IonicContact OE1-NH2 2.68Å; E424-R692 PolarHBondContact OE1-NH2 3.23Å; E424-R692 IonicContact OE2-CZ 3.73Å; E424-R692 IonicContact OE2-NH1 3.14Å; E424-R692 PolarHBondContact OE2-NH1 3.45Å; E424-R692 IonicContact OE2-NH2 3.32Å; E424-R692 PolarHBondContact OE2-NH2 3.08Å; E424-R699 IonicContact OE1-CZ 3.6Å; E424-R699 VanDerWaalsContact OE1-CZ 3.28Å; E424-R699 IonicContact OE1-NH1 3.12Å; E424-R699 PolarHBondContact OE1-NH1 2.96Å; E424-R699 IonicContact OE1-NH2 3.5Å; E424-R699 PolarHBondContact OE1-NH2 3.25Å | ||
| 425 | K | 94.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 10% | 0.104 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.1 | -24.7 | -176.8 | -63.8 | 178.6 | 171 | 74.1 | 0 | 113.3 | F419 R420 M422 Q423 F428 E429 F466 A732 R733 | F419-K425 HydrophobicContact CE1-CD 3.85Å; F419-K425 HydrophobicContact CE1-CG 4.34Å; F419-K425 HydrophobicContact CE2-CB 4.04Å; F419-K425 HydrophobicContact CE2-CD 4.32Å; F419-K425 HydrophobicContact CE2-CG 3.91Å; F419-K425 HydrophobicContact CZ-CB 3.89Å; F419-K425 HydrophobicContact CZ-CD 3.67Å; F419-K425 HydrophobicContact CZ-CG 3.75Å; F419-K425 WeakPolarHBondContact O-CE 3.49Å; R420-K425 PolarHBondContact O-NZ 3.45Å; M422-K425 PolarHBondContact O-NZ 3.26Å; Q423-K425 PolarHBondContact O-N 2.86Å; K425-F428 WeakPolarHBondContact O-CB 3.48Å; K425-F428 PolarHBondContact O-N 3.4Å; K425-E429 PolarHBondContact O-N 2.88Å; K425-F466 HydrophobicContact CB-CE2 4.46Å; K425-A732 WeakPolarHBondContact CD-O 3.47Å; K425-R733 WeakPolarHBondContact CA-O 3.45Å; K425-R733 WeakPolarHBondContact CB-O 3.36Å; K425-R733 PolarHBondContact N-O 3.13Å |
| 426 | D | 92.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 6% | 0.059 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68 | -36.5 | 172.8 | 59.1 | -17.4 | 0 | 0 | 0 | 113.2 | E424 F428 E429 R430 R699 R733 F734 | E424-D426 VanDerWaalsContact C-N 3.29Å; E424-D426 PolarHBondContact O-N 3.35Å; D426-F428 VanDerWaalsContact C-N 3.34Å; D426-E429 WeakPolarHBondContact O-CB 3.48Å; D426-E429 PolarHBondContact O-N 3.23Å; D426-R430 PolarHBondContact O-N 3.02Å; D426-R430 VanDerWaalsContact O-N 3.08Å; D426-R699 IonicContact OD1-CZ 3.83Å; D426-R699 IonicContact OD1-NE 2.79Å; D426-R699 IonicContact OD1-NH2 2.71Å; D426-R699 PolarHBondContact OD1-NH2 2.93Å; D426-R699 WeakPolarHBondContact OD2-CG 3.48Å; D426-R699 IonicContact OD2-CZ 2.68Å; D426-R699 IonicContact OD2-NE 3.92Å; D426-R699 PolarHBondContact OD2-NE 3.26Å; D426-R699 IonicContact OD2-NH2 3.52Å; D426-R699 PolarHBondContact OD2-NH2 2.84Å; D426-R733 PolarHBondContact N-O 3.02Å; D426-F734 WeakPolarHBondContact OD2-CD1 3.29Å |
| 427 | V | 94.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.024 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 170.7 | -179 | 0 | 0 | 0 | 0 | 109.7 | P385 E424 E429 R430 Y431 V695 | P385-V427 HydrophobicContact CB-CB 4.04Å; P385-V427 HydrophobicContact CB-CG1 3.89Å; P385-V427 HydrophobicContact CG-CB 4.26Å; P385-V427 HydrophobicContact CG-CG1 4.23Å; E424-V427 HydrophobicContact CB-CB 4.17Å; E424-V427 HydrophobicContact CB-CG2 3.84Å; E424-V427 PolarHBondContact O-N 2.89Å; V427-E429 PolarHBondContact O-N 3.15Å; V427-R430 PolarHBondContact O-N 3.45Å; V427-Y431 HydrophobicContact CG1-CD2 3.95Å; V427-Y431 HydrophobicContact CG1-CE2 3.66Å; V427-Y431 VanDerWaalsContact O-CD2 3.25Å; V427-Y431 WeakPolarHBondContact O-CD2 3.44Å; V427-Y431 PolarHBondContact O-N 3.12Å; V427-V695 HydrophobicContact CG2-CG1 3.87Å |
| 428 | F | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 172.9 | 171.5 | -87.3 | 0 | 0 | 0 | 111.5 | P385 L388 I392 F419 M422 E424 K425 D426 R430 Y431 Y432 L458 | P385-F428 HydrophobicContact CB-CB 4Å; P385-F428 WeakPolarHBondContact O-CD2 3.37Å; L388-F428 HydrophobicContact CB-CD2 4.28Å; L388-F428 HydrophobicContact CB-CE2 4.27Å; L388-F428 HydrophobicContact CD2-CD2 4.26Å; L388-F428 HydrophobicContact CD2-CE2 4.15Å; L388-F428 HydrophobicContact CG-CD2 4.3Å; L388-F428 HydrophobicContact CG-CE2 3.94Å; I392-F428 HydrophobicContact CD1-CE2 3.91Å; I392-F428 HydrophobicContact CD1-CZ 3.84Å; F419-F428 AromaticContact CD2-CD1 3.96Å; F419-F428 HydrophobicContact CD2-CD1 3.96Å; F419-F428 HydrophobicContact CD2-CD2 4.35Å; F419-F428 HydrophobicContact CD2-CE1 4.16Å; F419-F428 HydrophobicContact CD2-CG 4.06Å; F419-F428 HydrophobicContact CD2-CZ 4.44Å; F419-F428 HydrophobicContact CE2-CB 4.2Å; F419-F428 AromaticContact CE2-CD1 3.41Å; F419-F428 HydrophobicContact CE2-CD1 3.41Å; F419-F428 VanDerWaalsContact CE2-CD1 3.41Å; F419-F428 AromaticContact CE2-CE1 3.86Å; F419-F428 HydrophobicContact CE2-CE1 3.86Å; F419-F428 AromaticContact CE2-CG 3.78Å; F419-F428 HydrophobicContact CE2-CG 3.78Å; F419-F428 HydrophobicContact CZ-CD1 4.36Å; M422-F428 HydrophobicContact SD-CB 4Å; E424-F428 PolarHBondContact O-N 3.31Å; K425-F428 WeakPolarHBondContact O-CB 3.48Å; K425-F428 PolarHBondContact O-N 3.4Å; D426-F428 VanDerWaalsContact C-N 3.34Å; F428-R430 PolarHBondContact O-N 2.9Å; F428-Y431 PolarHBondContact O-N 3.25Å; F428-Y432 HydrophobicContact CE1-CD2 4.07Å; F428-Y432 AromaticContact CE1-CG 3.97Å; F428-Y432 HydrophobicContact CE1-CG 3.97Å; F428-Y432 HydrophobicContact CE2-CD2 4.47Å; F428-Y432 AromaticContact CZ-CD2 3.66Å; F428-Y432 HydrophobicContact CZ-CD2 3.66Å; F428-Y432 HydrophobicContact CZ-CE2 4.48Å; F428-Y432 HydrophobicContact CZ-CG 4.02Å; F428-Y432 VanDerWaalsContact O-CB 3.26Å; F428-Y432 WeakPolarHBondContact O-CB 3.4Å; F428-Y432 PolarHBondContact O-N 3.14Å; F428-L458 HydrophobicContact CE1-CD1 4.35Å; F428-L458 HydrophobicContact CE1-CD2 3.75Å; F428-L458 HydrophobicContact CZ-CD2 4.41Å |
| 429 | E | 93.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 25.7 Ų | 25.7 | 7% | 0.065 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -52.1 | -45.6 | 178.9 | -165.3 | -160.9 | 138.4 | 0 | 0 | 111.1 | K425 D426 V427 Y432 K433 F466 R733 | K425-E429 PolarHBondContact O-N 2.88Å; D426-E429 WeakPolarHBondContact O-CB 3.48Å; D426-E429 PolarHBondContact O-N 3.23Å; V427-E429 PolarHBondContact O-N 3.15Å; E429-Y432 PolarHBondContact O-N 3.42Å; E429-K433 WeakPolarHBondContact O-CB 3.41Å; E429-K433 PolarHBondContact O-N 3.23Å; E429-F466 HydrophobicContact CB-CE1 4.26Å; E429-F466 HydrophobicContact CB-CE2 3.7Å; E429-F466 HydrophobicContact CB-CZ 3.49Å; E429-F466 VanDerWaalsContact CB-CZ 3.49Å; E429-F466 HydrophobicContact CG-CD1 4.49Å; E429-F466 HydrophobicContact CG-CD2 4.33Å; E429-F466 HydrophobicContact CG-CE1 4Å; E429-F466 HydrophobicContact CG-CE2 3.83Å; E429-F466 HydrophobicContact CG-CZ 3.66Å; E429-F466 WeakPolarHBondContact OE2-CD2 3.19Å; E429-F466 WeakPolarHBondContact OE2-CE2 3.39Å; E429-R733 IonicContact OE2-CZ 2.65Å; E429-R733 IonicContact OE2-NH2 2.8Å; E429-R733 PolarHBondContact OE2-NH2 2.77Å |
| 430 | R | 92.2 | Very high | 92.4 | Very high | 39 Ų | 39 | 26.4 Ų | 26.4 | 15% | 0.147 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.7 | -51.3 | -178.7 | -175.3 | 68.8 | -173.1 | -175 | 8.1 | 111.8 | D426 V427 F428 K433 Q434 T691 V695 | D426-R430 PolarHBondContact O-N 3.02Å; D426-R430 VanDerWaalsContact O-N 3.08Å; V427-R430 PolarHBondContact O-N 3.45Å; F428-R430 PolarHBondContact O-N 2.9Å; R430-K433 PolarHBondContact O-N 3.13Å; R430-Q434 PolarHBondContact O-N 3.14Å; R430-T691 HydrophobicContact CG-CG2 3.78Å; R430-V695 HydrophobicContact CB-CG2 4.05Å; R430-V695 HydrophobicContact CG-CG2 4.13Å |
| 431 | Y | 93.1 | Very high | 92 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 5% | 0.051 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 177.6 | -74.8 | -62.5 | 0 | 0 | 0 | 111.7 | E386 V427 F428 K433 Q434 H435 E683 T691 | E386-Y431 HydrophobicContact CB-CD2 3.78Å; E386-Y431 HydrophobicContact CB-CE1 4.42Å; E386-Y431 HydrophobicContact CB-CE2 3.67Å; E386-Y431 HydrophobicContact CB-CG 4.23Å; E386-Y431 HydrophobicContact CG-CD1 4.04Å; E386-Y431 HydrophobicContact CG-CD2 4.21Å; E386-Y431 HydrophobicContact CG-CE1 3.93Å; E386-Y431 HydrophobicContact CG-CE2 4.11Å; E386-Y431 HydrophobicContact CG-CG 4.19Å; V427-Y431 HydrophobicContact CG1-CD2 3.95Å; V427-Y431 HydrophobicContact CG1-CE2 3.66Å; V427-Y431 VanDerWaalsContact O-CD2 3.25Å; V427-Y431 WeakPolarHBondContact O-CD2 3.44Å; V427-Y431 PolarHBondContact O-N 3.12Å; F428-Y431 PolarHBondContact O-N 3.25Å; Y431-K433 VanDerWaalsContact C-N 3.29Å; Y431-K433 PolarHBondContact O-N 2.78Å; Y431-Q434 WeakPolarHBondContact O-CB 3.45Å; Y431-Q434 PolarHBondContact O-N 3.31Å; Y431-Q434 VanDerWaalsContact O-N 3.16Å; Y431-H435 PolarHBondContact O-CD2 3.35Å; Y431-H435 PolarHBondContact O-N 3.06Å; Y431-H435 PolarHBondContact O-ND1 3.16Å; Y431-E683 HydrophobicContact CE1-CG 4.41Å; Y431-E683 WeakPolarHBondContact CE1-OE2 3.22Å; Y431-T691 HydrophobicContact CE1-CG2 3.95Å; Y431-T691 HydrophobicContact CE2-CG2 4.35Å |
| 432 | Y | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 179 | -173.8 | -91.5 | 0 | 0 | 0 | 111.5 | S389 I392 F428 E429 Q434 H435 L436 M454 L458 L470 | S389-Y432 WeakPolarHBondContact OG-CA 3.46Å; S389-Y432 PolarHBondContact OG-N 3.03Å; I392-Y432 HydrophobicContact CG2-CE2 3.82Å; F428-Y432 HydrophobicContact CE1-CD2 4.07Å; F428-Y432 AromaticContact CE1-CG 3.97Å; F428-Y432 HydrophobicContact CE1-CG 3.97Å; F428-Y432 HydrophobicContact CE2-CD2 4.47Å; F428-Y432 AromaticContact CZ-CD2 3.66Å; F428-Y432 HydrophobicContact CZ-CD2 3.66Å; F428-Y432 HydrophobicContact CZ-CE2 4.48Å; F428-Y432 HydrophobicContact CZ-CG 4.02Å; F428-Y432 VanDerWaalsContact O-CB 3.26Å; F428-Y432 WeakPolarHBondContact O-CB 3.4Å; F428-Y432 PolarHBondContact O-N 3.14Å; E429-Y432 PolarHBondContact O-N 3.42Å; Y432-Q434 PolarHBondContact O-N 2.7Å; Y432-H435 PolarHBondContact O-N 2.77Å; Y432-L436 HydrophobicContact CE1-CB 4.37Å; Y432-L436 HydrophobicContact CE1-CD2 4.31Å; Y432-L436 WeakPolarHBondContact O-CB 3.44Å; Y432-L436 PolarHBondContact O-N 3Å; Y432-M454 HydrophobicContact CE2-CG 4.14Å; Y432-M454 WeakPolarHBondContact OH-CG 3.22Å; Y432-L458 HydrophobicContact CD1-CD1 4.12Å; Y432-L458 HydrophobicContact CE1-CD1 3.89Å; Y432-L470 HydrophobicContact CD1-CD1 3.94Å; Y432-L470 HydrophobicContact CD1-CD2 4.24Å; Y432-L470 HydrophobicContact CE1-CD1 4.01Å |
| 433 | K | 93 | Very high | 90.8 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 175.7 | -174.7 | 172.8 | 66.3 | -173.9 | 0 | 112.7 | E429 R430 Y431 A437 L470 M473 P514 | E429-K433 WeakPolarHBondContact O-CB 3.41Å; E429-K433 PolarHBondContact O-N 3.23Å; R430-K433 PolarHBondContact O-N 3.13Å; Y431-K433 VanDerWaalsContact C-N 3.29Å; Y431-K433 PolarHBondContact O-N 2.78Å; K433-A437 VanDerWaalsContact O-CB 3.28Å; K433-A437 WeakPolarHBondContact O-CB 3.49Å; K433-A437 PolarHBondContact O-N 3.37Å; K433-L470 HydrophobicContact CB-CD2 3.9Å; K433-L470 HydrophobicContact CG-CD2 4.02Å; K433-M473 HydrophobicContact CD-SD 4.49Å; K433-M473 HydrophobicContact CG-SD 3.83Å; K433-P514 HydrophobicContact CG-CG 4.42Å |
| 434 | Q | 90.1 | Very high | 90.3 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 18% | 0.182 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 174.5 | -72.5 | 169.9 | -26.8 | 0 | 0 | 111.8 | R430 Y431 Y432 A437 R438 P514 E683 | R430-Q434 PolarHBondContact O-N 3.14Å; Y431-Q434 WeakPolarHBondContact O-CB 3.45Å; Y431-Q434 PolarHBondContact O-N 3.31Å; Y431-Q434 VanDerWaalsContact O-N 3.16Å; Y432-Q434 PolarHBondContact O-N 2.7Å; Q434-A437 PolarHBondContact O-N 2.73Å; Q434-R438 PolarHBondContact O-N 2.95Å; Q434-R438 VanDerWaalsContact O-N 3.12Å; Q434-P514 HydrophobicContact CG-CB 4.03Å; Q434-P514 HydrophobicContact CG-CG 4.31Å; Q434-E683 PolarHBondContact NE2-OE1 3Å; Q434-E683 PolarHBondContact OE1-OE1 3.01Å |
| 435 | H | 91.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 28.3 Ų | 28.3 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.2 | -46.1 | 180 | -64.3 | 166.2 | 0 | 0 | 0 | 111.9 | S389 L390 D393 Y431 Y432 A437 R438 R439 | S389-H435 PolarHBondContact OG-CE1 3.28Å; S389-H435 PolarHBondContact OG-ND1 3.15Å; L390-H435 WeakPolarHBondContact CD2-CE1 3.29Å; D393-H435 HydrophobicContact CB-CB 4Å; Y431-H435 PolarHBondContact O-CD2 3.35Å; Y431-H435 PolarHBondContact O-N 3.06Å; Y431-H435 PolarHBondContact O-ND1 3.16Å; Y432-H435 PolarHBondContact O-N 2.77Å; H435-A437 PolarHBondContact O-N 3.35Å; H435-R438 PolarHBondContact CD2-NH1 3.06Å; H435-R438 PolarHBondContact CD2-NH2 2.97Å; H435-R438 PolarHBondContact O-N 3.33Å; H435-R439 WeakPolarHBondContact O-CG 3.4Å; H435-R439 PolarHBondContact O-N 3.41Å |
| 436 | L | 92.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 174.3 | 178.6 | 63.7 | 0 | 0 | 0 | 111.1 | Y432 R438 R439 L440 E451 I455 L470 M473 F474 | Y432-L436 HydrophobicContact CE1-CB 4.37Å; Y432-L436 HydrophobicContact CE1-CD2 4.31Å; Y432-L436 WeakPolarHBondContact O-CB 3.44Å; Y432-L436 PolarHBondContact O-N 3Å; L436-R438 VanDerWaalsContact C-N 3.28Å; L436-R438 PolarHBondContact O-N 3.14Å; L436-R439 PolarHBondContact O-N 3.06Å; L436-R439 VanDerWaalsContact O-N 3.09Å; L436-L440 HydrophobicContact CD1-CD1 4.04Å; L436-L440 HydrophobicContact CD1-CD2 4.38Å; L436-L440 HydrophobicContact CD1-CG 3.93Å; L436-L440 HydrophobicContact CD2-CD1 4.48Å; L436-L440 HydrophobicContact CG-CD1 3.93Å; L436-L440 HydrophobicContact CG-CG 4.22Å; L436-L440 WeakPolarHBondContact O-CG 3.44Å; L436-L440 PolarHBondContact O-N 3.41Å; L436-E451 WeakPolarHBondContact CD1-OE2 3.45Å; L436-I455 HydrophobicContact CD2-CD1 4.26Å; L436-L470 HydrophobicContact CD2-CB 4.16Å; L436-L470 HydrophobicContact CD2-CD2 3.93Å; L436-M473 HydrophobicContact CB-CE 4.28Å; L436-M473 HydrophobicContact CD2-CE 4.09Å; L436-M473 HydrophobicContact CD2-SD 4.34Å; L436-M473 HydrophobicContact CG-CE 3.98Å; L436-F474 HydrophobicContact CD1-CE2 3.98Å; L436-F474 HydrophobicContact CD1-CZ 4.32Å; L436-F474 HydrophobicContact CD2-CE2 4.25Å |
| 437 | A | 90.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.9 | -46.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K433 Q434 H435 L441 M473 W513 P514 | K433-A437 VanDerWaalsContact O-CB 3.28Å; K433-A437 WeakPolarHBondContact O-CB 3.49Å; K433-A437 PolarHBondContact O-N 3.37Å; Q434-A437 PolarHBondContact O-N 2.73Å; H435-A437 PolarHBondContact O-N 3.35Å; A437-L441 WeakPolarHBondContact O-CB 3.44Å; A437-L441 WeakPolarHBondContact O-CD1 3.4Å; A437-L441 WeakPolarHBondContact O-CG 3.49Å; A437-L441 PolarHBondContact O-N 3.34Å; A437-M473 VanDerWaalsContact CA-CE 3.42Å; A437-M473 HydrophobicContact CB-CE 3.56Å; A437-W513 HydrophobicContact CB-CE3 3.75Å; A437-W513 HydrophobicContact CB-CZ3 3.8Å; A437-P514 HydrophobicContact CB-CG 3.65Å |
| 438 | R | 86 | Confident | 88.5 | Confident | 100 Ų | 100 | 34 Ų | 34 | 38% | 0.377 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.9 | -45 | 176 | -179.3 | -179 | 59.8 | -122 | 2.4 | 111.9 | D393 Q434 H435 L436 T442 | D393-R438 VanDerWaalsContact CG-NH2 3.35Å; D393-R438 IonicContact OD1-NH2 3.36Å; D393-R438 PolarHBondContact OD1-NH2 3.14Å; D393-R438 IonicContact OD2-CZ 3.67Å; D393-R438 IonicContact OD2-NH2 2.63Å; D393-R438 PolarHBondContact OD2-NH2 3.32Å; Q434-R438 PolarHBondContact O-N 2.95Å; Q434-R438 VanDerWaalsContact O-N 3.12Å; H435-R438 PolarHBondContact CD2-NH1 3.06Å; H435-R438 PolarHBondContact CD2-NH2 2.97Å; H435-R438 PolarHBondContact O-N 3.33Å; L436-R438 VanDerWaalsContact C-N 3.28Å; L436-R438 PolarHBondContact O-N 3.14Å; R438-T442 WeakPolarHBondContact O-CB 3.36Å; R438-T442 WeakPolarHBondContact O-CG2 3.46Å; R438-T442 PolarHBondContact O-N 2.86Å; R438-T442 PolarHBondContact O-OG1 2.9Å |
| 439 | R | 89.2 | Confident | 88.2 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 179.9 | -70.8 | -166.4 | -54.5 | -86.4 | 3.2 | 111.9 | D393 K397 H435 L436 N443 K444 E451 | D393-R439 VanDerWaalsContact OD1-CD 3.29Å; D393-R439 WeakPolarHBondContact OD1-CD 3.39Å; D393-R439 WeakPolarHBondContact OD1-CG 3.46Å; D393-R439 IonicContact OD1-CZ 2.67Å; D393-R439 IonicContact OD1-NE 2.83Å; D393-R439 IonicContact OD1-NH1 3.45Å; D393-R439 PolarHBondContact OD1-NH1 2.92Å; K397-R439 HydrophobicContact CG-CG 4.29Å; H435-R439 WeakPolarHBondContact O-CG 3.4Å; H435-R439 PolarHBondContact O-N 3.41Å; L436-R439 PolarHBondContact O-N 3.06Å; L436-R439 VanDerWaalsContact O-N 3.09Å; R439-N443 PolarHBondContact O-N 3.29Å; R439-K444 PolarHBondContact O-N 3.14Å; R439-E451 IonicContact CZ-OE1 3.79Å; R439-E451 IonicContact CZ-OE2 3.47Å; R439-E451 IonicContact NE-OE1 3.78Å; R439-E451 PolarHBondContact NE-OE1 3.23Å; R439-E451 IonicContact NE-OE2 3.68Å; R439-E451 IonicContact NH2-OE1 2.63Å; R439-E451 IonicContact NH2-OE2 3.28Å; R439-E451 PolarHBondContact NH2-OE2 2.88Å |
| 440 | L | 89.3 | Confident | 88.1 | Confident | 16 Ų | 16 | 39 Ų | 39 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -49.8 | 177.6 | -68.9 | 179 | 0 | 0 | 0 | 112.1 | L436 T442 N443 M473 F474 M477 W513 | L436-L440 HydrophobicContact CD1-CD1 4.04Å; L436-L440 HydrophobicContact CD1-CD2 4.38Å; L436-L440 HydrophobicContact CD1-CG 3.93Å; L436-L440 HydrophobicContact CD2-CD1 4.48Å; L436-L440 HydrophobicContact CG-CD1 3.93Å; L436-L440 HydrophobicContact CG-CG 4.22Å; L436-L440 WeakPolarHBondContact O-CG 3.44Å; L436-L440 PolarHBondContact O-N 3.41Å; L440-T442 VanDerWaalsContact C-N 3.31Å; L440-T442 PolarHBondContact O-N 2.87Å; L440-N443 PolarHBondContact O-N 2.68Å; L440-M473 HydrophobicContact CD1-CB 4.08Å; L440-M473 HydrophobicContact CD1-CE 4.23Å; L440-F474 HydrophobicContact CD1-CD2 4.49Å; L440-F474 HydrophobicContact CD1-CE2 4.34Å; L440-F474 HydrophobicContact CD2-CD1 4.42Å; L440-F474 HydrophobicContact CD2-CE1 3.78Å; L440-F474 HydrophobicContact CD2-CE2 4.32Å; L440-F474 HydrophobicContact CD2-CZ 3.7Å; L440-M477 HydrophobicContact CB-CG 4.18Å; L440-M477 HydrophobicContact CB-SD 4.27Å; L440-M477 HydrophobicContact CD1-CG 4.17Å; L440-M477 HydrophobicContact CD2-CG 4.48Å; L440-W513 HydrophobicContact CB-CH2 4.11Å; L440-W513 HydrophobicContact CD1-CH2 3.94Å |
| 441 | L | 85.4 | Confident | 88 | Confident | 29 Ų | 29 | 37.1 Ų | 37.1 | 15% | 0.152 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.1 | -29.5 | -176.2 | -65.9 | 168.3 | 0 | 0 | 0 | 113.1 | A437 M477 R506 L508 W513 M554 | A437-L441 WeakPolarHBondContact O-CB 3.44Å; A437-L441 WeakPolarHBondContact O-CD1 3.4Å; A437-L441 WeakPolarHBondContact O-CG 3.49Å; A437-L441 PolarHBondContact O-N 3.34Å; L441-M477 HydrophobicContact CD2-CE 4.16Å; L441-M477 HydrophobicContact CD2-SD 4.44Å; L441-R506 PolarHBondContact O-NH1 2.79Å; L441-L508 HydrophobicContact CD2-CD1 3.96Å; L441-L508 HydrophobicContact CD2-CD2 4.32Å; L441-W513 HydrophobicContact CD1-CE3 4.2Å; L441-W513 HydrophobicContact CD1-CZ3 3.82Å; L441-W513 HydrophobicContact CD2-CH2 4.2Å; L441-W513 HydrophobicContact CD2-CZ3 3.99Å; L441-W513 HydrophobicContact CG-CH2 4.24Å; L441-W513 HydrophobicContact CG-CZ3 3.69Å; L441-M554 HydrophobicContact CD1-CE 3.09Å; L441-M554 HydrophobicContact CG-CE 4.5Å |
| 442 | T | 81.6 | Confident | 88 | Confident | 70 Ų | 70 | 41.8 Ų | 41.8 | 43% | 0.429 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -91.4 | 0.1 | 176.3 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | R438 L440 K444 | R438-T442 WeakPolarHBondContact O-CB 3.36Å; R438-T442 WeakPolarHBondContact O-CG2 3.46Å; R438-T442 PolarHBondContact O-N 2.86Å; R438-T442 PolarHBondContact O-OG1 2.9Å; L440-T442 VanDerWaalsContact C-N 3.31Å; L440-T442 PolarHBondContact O-N 2.87Å; T442-K444 PolarHBondContact O-N 3.21Å; T442-K444 WeakPolarHBondContact OG1-CD 3.5Å; T442-K444 WeakPolarHBondContact OG1-CG 3.37Å |
| 443 | N | 82.3 | Confident | 87.9 | Confident | 100 Ų | 100 | 44 Ų | 44 | 54% | 0.535 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 43 | -174.9 | -164.9 | 9.9 | 0 | 0 | 0 | 113 | R439 L440 | R439-N443 PolarHBondContact O-N 3.29Å; L440-N443 PolarHBondContact O-N 2.68Å |
| 444 | K | 82 | Confident | 87.9 | Confident | 102 Ų | 102 | 43.4 Ų | 43.4 | 44% | 0.443 | 22% | 0.22 | S | C | . | . | trans | -105.7 | 9.6 | -176.4 | -74.2 | -172 | 179.9 | -176.6 | 0 | 113.8 | K397 K398 R439 T442 | K397-K444 CarbonylContact C-O 3.28Å; K397-K444 WeakPolarHBondContact CA-O 3.47Å; K398-K444 PolarHBondContact N-O 3.27Å; R439-K444 PolarHBondContact O-N 3.14Å; T442-K444 PolarHBondContact O-N 3.21Å; T442-K444 WeakPolarHBondContact OG1-CD 3.5Å; T442-K444 WeakPolarHBondContact OG1-CG 3.37Å | ||
| 445 | S | 83.1 | Confident | 88.1 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -71.6 | 140.3 | 174 | -61.8 | 0 | 0 | 0 | 0 | 111 | L396 K398 E451 | L396-S445 CarbonylContact O-C 3.52Å; L396-S445 WeakPolarHBondContact O-CA 3.5Å; K398-S445 VanDerWaalsContact CD-O 3.26Å; K398-S445 WeakPolarHBondContact CD-O 3.31Å; K398-S445 WeakPolarHBondContact CE-O 3.44Å; K398-S445 VanDerWaalsContact CG-O 3.23Å; K398-S445 WeakPolarHBondContact CG-O 3.4Å; S445-E451 VanDerWaalsContact CB-OE1 3.25Å; S445-E451 WeakPolarHBondContact CB-OE1 3.34Å; S445-E451 PolarHBondContact OG-OE1 2.9Å |
| 446 | V | 82.3 | Confident | 88.3 | Confident | 53 Ų | 53 | 44.6 Ų | 44.6 | 32% | 0.321 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -55.7 | -54.9 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | L396 K397 | L396-V446 WeakPolarHBondContact O-CG2 3.45Å; L396-V446 PolarHBondContact O-N 2.92Å; K397-V446 VanDerWaalsContact C-CG2 3.41Å; K397-V446 VanDerWaalsContact O-CG2 3.26Å; K397-V446 WeakPolarHBondContact O-CG2 3.25Å |
| 447 | S | 85.5 | Confident | 88.4 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 15% | 0.154 | 24% | 0.24 | C | C | . | . | trans | -151.8 | 142.9 | 179.4 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | E405 D449 S450 E451 | E405-S447 PolarHBondContact OE1-OG 2.91Å; S447-D449 PolarHBondContact O-N 3.4Å; S447-D449 PolarHBondContact OG-N 3.33Å; S447-S450 PolarHBondContact O-N 3.24Å; S447-E451 WeakPolarHBondContact O-CG 3.41Å; S447-E451 PolarHBondContact O-N 2.89Å | ||
| 448 | D | 85.9 | Confident | 88.6 | Confident | 85 Ų | 85 | 46 Ų | 46 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -30.4 | 175.4 | -76.6 | -1.7 | 0 | 0 | 0 | 111.1 | E451 K452 | D448-E451 PolarHBondContact O-N 3.23Å; D448-K452 WeakPolarHBondContact O-CG 3.36Å; D448-K452 PolarHBondContact O-N 2.95Å |
| 449 | D | 89.3 | Confident | 89 | Confident | 107 Ų | 107 | 44.6 Ų | 44.6 | 57% | 0.572 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -72.4 | -39 | 179.7 | -67.5 | -30.2 | 0 | 0 | 0 | 111.5 | S447 E451 K452 N453 | S447-D449 PolarHBondContact O-N 3.4Å; S447-D449 PolarHBondContact OG-N 3.33Å; D449-E451 VanDerWaalsContact C-N 3.33Å; D449-E451 PolarHBondContact O-N 3.38Å; D449-K452 PolarHBondContact O-N 3.34Å; D449-N453 VanDerWaalsContact O-CB 3.31Å; D449-N453 WeakPolarHBondContact O-CB 3.36Å; D449-N453 PolarHBondContact O-N 2.94Å |
| 450 | S | 90.2 | Very high | 89.1 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -39 | 173.1 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | S447 N453 M454 | S447-S450 PolarHBondContact O-N 3.24Å; S450-N453 PolarHBondContact O-N 3.46Å; S450-M454 PolarHBondContact O-N 3.32Å |
| 451 | E | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 176.9 | -63.4 | -88.6 | -162.1 | 0 | 0 | 111.5 | L436 R439 S445 S447 D448 D449 N453 M454 I455 F474 | L436-E451 WeakPolarHBondContact CD1-OE2 3.45Å; R439-E451 IonicContact CZ-OE1 3.79Å; R439-E451 IonicContact CZ-OE2 3.47Å; R439-E451 IonicContact NE-OE1 3.78Å; R439-E451 PolarHBondContact NE-OE1 3.23Å; R439-E451 IonicContact NE-OE2 3.68Å; R439-E451 IonicContact NH2-OE1 2.63Å; R439-E451 IonicContact NH2-OE2 3.28Å; R439-E451 PolarHBondContact NH2-OE2 2.88Å; S445-E451 VanDerWaalsContact CB-OE1 3.25Å; S445-E451 WeakPolarHBondContact CB-OE1 3.34Å; S445-E451 PolarHBondContact OG-OE1 2.9Å; S447-E451 WeakPolarHBondContact O-CG 3.41Å; S447-E451 PolarHBondContact O-N 2.89Å; D448-E451 PolarHBondContact O-N 3.23Å; D449-E451 VanDerWaalsContact C-N 3.33Å; D449-E451 PolarHBondContact O-N 3.38Å; E451-N453 VanDerWaalsContact C-N 3.34Å; E451-N453 PolarHBondContact O-N 3.34Å; E451-M454 PolarHBondContact O-N 2.95Å; E451-I455 WeakPolarHBondContact O-CG1 3.26Å; E451-I455 PolarHBondContact O-N 3.38Å; E451-F474 HydrophobicContact CB-CE1 4.38Å; E451-F474 HydrophobicContact CB-CE2 4.17Å; E451-F474 HydrophobicContact CB-CZ 3.47Å; E451-F474 VanDerWaalsContact CB-CZ 3.47Å; E451-F474 HydrophobicContact CG-CZ 4.25Å |
| 452 | K | 92.3 | Very high | 89.2 | Confident | 111 Ų | 111 | 52.3 Ų | 52.3 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 174.3 | -73.6 | 173.9 | -169.8 | 163.8 | 0 | 111.9 | D448 D449 I455 S456 | D448-K452 WeakPolarHBondContact O-CG 3.36Å; D448-K452 PolarHBondContact O-N 2.95Å; D449-K452 PolarHBondContact O-N 3.34Å; K452-I455 PolarHBondContact O-N 3.38Å; K452-S456 WeakPolarHBondContact O-CB 3.46Å; K452-S456 PolarHBondContact O-N 3.14Å |
| 453 | N | 92.6 | Very high | 89.5 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 174.8 | -172.6 | -14.3 | 0 | 0 | 0 | 110.2 | E409 D449 S450 E451 I455 S456 K457 | E409-N453 PolarHBondContact OE1-ND2 3.48Å; D449-N453 VanDerWaalsContact O-CB 3.31Å; D449-N453 WeakPolarHBondContact O-CB 3.36Å; D449-N453 PolarHBondContact O-N 2.94Å; S450-N453 PolarHBondContact O-N 3.46Å; E451-N453 VanDerWaalsContact C-N 3.34Å; E451-N453 PolarHBondContact O-N 3.34Å; N453-I455 VanDerWaalsContact C-N 3.32Å; N453-I455 PolarHBondContact O-N 3Å; N453-S456 WeakPolarHBondContact O-CA 3.4Å; N453-S456 VanDerWaalsContact O-CB 3.29Å; N453-S456 WeakPolarHBondContact O-CB 3.34Å; N453-S456 PolarHBondContact O-N 3.36Å; N453-K457 WeakPolarHBondContact O-CG 3.15Å; N453-K457 PolarHBondContact O-N 3.07Å; N453-K457 WeakPolarHBondContact OD1-CE 3.04Å; N453-K457 PolarHBondContact OD1-NZ 2.69Å |
| 454 | M | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 176.3 | -172.7 | 61.3 | -155.9 | 0 | 0 | 112.6 | I392 L396 L412 M416 Y432 S450 E451 S456 K457 L458 | I392-M454 HydrophobicContact CD1-CE 3.73Å; I392-M454 HydrophobicContact CG2-CE 4.41Å; I392-M454 HydrophobicContact CG2-CG 4.34Å; I392-M454 HydrophobicContact CG2-SD 4.29Å; L396-M454 HydrophobicContact CD1-CB 4.36Å; L396-M454 HydrophobicContact CD1-CG 4.36Å; L412-M454 HydrophobicContact CB-SD 4.26Å; L412-M454 HydrophobicContact CD1-CB 4.25Å; L412-M454 HydrophobicContact CD1-SD 4.2Å; L412-M454 HydrophobicContact CD2-SD 3.84Å; L412-M454 HydrophobicContact CG-SD 4.31Å; M416-M454 HydrophobicContact CG-CE 4.28Å; M416-M454 HydrophobicContact SD-CE 3.36Å; M416-M454 WeakPolarHBondContact SD-CE 3.26Å; M416-M454 HydrophobicContact SD-SD 4.38Å; Y432-M454 HydrophobicContact CE2-CG 4.14Å; Y432-M454 WeakPolarHBondContact OH-CG 3.22Å; S450-M454 PolarHBondContact O-N 3.32Å; E451-M454 PolarHBondContact O-N 2.95Å; M454-S456 VanDerWaalsContact C-N 3.34Å; M454-S456 PolarHBondContact O-N 3.46Å; M454-K457 PolarHBondContact O-N 3.2Å; M454-L458 HydrophobicContact CE-CD1 4.24Å; M454-L458 HydrophobicContact CE-CD2 4.01Å; M454-L458 HydrophobicContact CE-CG 3.93Å; M454-L458 WeakPolarHBondContact O-CG 3.28Å; M454-L458 PolarHBondContact O-N 3.07Å |
| 455 | I | 94.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 175 | -67.8 | 174 | 0 | 0 | 0 | 111.2 | L436 E451 K452 N453 K457 L458 K459 T467 L470 E471 F474 | L436-I455 HydrophobicContact CD2-CD1 4.26Å; E451-I455 WeakPolarHBondContact O-CG1 3.26Å; E451-I455 PolarHBondContact O-N 3.38Å; K452-I455 PolarHBondContact O-N 3.38Å; N453-I455 VanDerWaalsContact C-N 3.32Å; N453-I455 PolarHBondContact O-N 3Å; I455-K457 VanDerWaalsContact C-N 3.34Å; I455-K457 PolarHBondContact O-N 3.32Å; I455-L458 PolarHBondContact O-N 3.15Å; I455-K459 WeakPolarHBondContact O-CB 3.21Å; I455-K459 PolarHBondContact O-N 3.48Å; I455-T467 HydrophobicContact CG2-CG2 4.15Å; I455-L470 HydrophobicContact CD1-CB 3.94Å; I455-L470 HydrophobicContact CG1-CB 4.28Å; I455-E471 HydrophobicContact CG2-CG 3.86Å; I455-F474 HydrophobicContact CD1-CD2 3.54Å; I455-F474 HydrophobicContact CD1-CE2 3.42Å; I455-F474 VanDerWaalsContact CD1-CE2 3.42Å |
| 456 | S | 94.8 | Very high | 90.3 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 175.4 | -169.7 | 0 | 0 | 0 | 0 | 111.5 | K452 N453 M454 L458 K459 T460 | K452-S456 WeakPolarHBondContact O-CB 3.46Å; K452-S456 PolarHBondContact O-N 3.14Å; N453-S456 WeakPolarHBondContact O-CA 3.4Å; N453-S456 VanDerWaalsContact O-CB 3.29Å; N453-S456 WeakPolarHBondContact O-CB 3.34Å; N453-S456 PolarHBondContact O-N 3.36Å; M454-S456 VanDerWaalsContact C-N 3.34Å; M454-S456 PolarHBondContact O-N 3.46Å; S456-L458 PolarHBondContact O-N 2.93Å; S456-K459 WeakPolarHBondContact O-CB 3.36Å; S456-K459 PolarHBondContact O-N 3.23Å; S456-T460 PolarHBondContact O-N 2.96Å; S456-T460 PolarHBondContact O-OG1 3.18Å |
| 457 | K | 94.7 | Very high | 90.8 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 15% | 0.148 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -43.4 | 175.5 | -63 | -176.7 | -163.3 | -66.5 | 0 | 111.7 | E409 D413 M416 N453 M454 I455 K459 T460 E461 | E409-K457 IonicContact OE1-NZ 2.84Å; E409-K457 PolarHBondContact OE1-NZ 2.84Å; D413-K457 WeakPolarHBondContact OD1-CD 3.3Å; D413-K457 WeakPolarHBondContact OD1-CE 3.15Å; D413-K457 IonicContact OD1-NZ 3.52Å; D413-K457 PolarHBondContact OD1-NZ 3.38Å; D413-K457 IonicContact OD2-NZ 3.61Å; M416-K457 HydrophobicContact CE-CB 4.49Å; M416-K457 HydrophobicContact CG-CB 4.09Å; M416-K457 HydrophobicContact CG-CD 4.22Å; M416-K457 HydrophobicContact SD-CB 4.47Å; N453-K457 WeakPolarHBondContact O-CG 3.15Å; N453-K457 PolarHBondContact O-N 3.07Å; N453-K457 WeakPolarHBondContact OD1-CE 3.04Å; N453-K457 PolarHBondContact OD1-NZ 2.69Å; M454-K457 PolarHBondContact O-N 3.2Å; I455-K457 VanDerWaalsContact C-N 3.34Å; I455-K457 PolarHBondContact O-N 3.32Å; K457-K459 VanDerWaalsContact C-N 3.31Å; K457-K459 PolarHBondContact O-N 2.82Å; K457-T460 PolarHBondContact O-N 2.83Å; K457-E461 PolarHBondContact O-N 2.75Å |
| 458 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 174.2 | -69.4 | 171.2 | 0 | 0 | 0 | 112.6 | M416 F419 F428 Y432 M454 I455 S456 E461 C462 F466 T467 L470 | M416-L458 HydrophobicContact CE-CD2 4.03Å; M416-L458 HydrophobicContact SD-CD2 4.03Å; F419-L458 HydrophobicContact CE1-CD2 4.19Å; F419-L458 HydrophobicContact CE2-CD2 4.29Å; F419-L458 HydrophobicContact CZ-CD2 4.03Å; F428-L458 HydrophobicContact CE1-CD1 4.35Å; F428-L458 HydrophobicContact CE1-CD2 3.75Å; F428-L458 HydrophobicContact CZ-CD2 4.41Å; Y432-L458 HydrophobicContact CD1-CD1 4.12Å; Y432-L458 HydrophobicContact CE1-CD1 3.89Å; M454-L458 HydrophobicContact CE-CD1 4.24Å; M454-L458 HydrophobicContact CE-CD2 4.01Å; M454-L458 HydrophobicContact CE-CG 3.93Å; M454-L458 WeakPolarHBondContact O-CG 3.28Å; M454-L458 PolarHBondContact O-N 3.07Å; I455-L458 PolarHBondContact O-N 3.15Å; S456-L458 PolarHBondContact O-N 2.93Å; L458-E461 PolarHBondContact O-N 3.04Å; L458-C462 PolarHBondContact O-N 3.15Å; L458-F466 HydrophobicContact CD2-CE1 4.39Å; L458-T467 HydrophobicContact CB-CG2 3.89Å; L458-L470 HydrophobicContact CD1-CD1 4.13Å |
| 459 | K | 94.2 | Very high | 91.6 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 178.4 | -171.4 | 177.7 | -167.7 | 155.2 | 0 | 111.9 | I455 S456 K457 E461 G463 C464 T467 E471 | I455-K459 WeakPolarHBondContact O-CB 3.21Å; I455-K459 PolarHBondContact O-N 3.48Å; S456-K459 WeakPolarHBondContact O-CB 3.36Å; S456-K459 PolarHBondContact O-N 3.23Å; K457-K459 VanDerWaalsContact C-N 3.31Å; K457-K459 PolarHBondContact O-N 2.82Å; K459-E461 VanDerWaalsContact C-N 3.3Å; K459-E461 PolarHBondContact O-N 2.84Å; K459-G463 WeakPolarHBondContact O-CA 3.29Å; K459-G463 PolarHBondContact O-N 3.27Å; K459-C464 WeakPolarHBondContact CE-SG 3.42Å; K459-T467 HydrophobicContact CB-CG2 3.76Å; K459-T467 HydrophobicContact CG-CG2 4.47Å; K459-E471 WeakPolarHBondContact CD-OE1 3.33Å; K459-E471 IonicContact NZ-OE1 3.74Å; K459-E471 PolarHBondContact NZ-OE1 3.39Å; K459-E471 IonicContact NZ-OE2 2.76Å |
| 460 | T | 91.9 | Very high | 91.8 | Very high | 113 Ų | 113 | 45.6 Ų | 45.6 | 69% | 0.693 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.4 | -40.3 | 176 | -60 | 0 | 0 | 0 | 0 | 111.5 | S456 K457 | S456-T460 PolarHBondContact O-N 2.96Å; S456-T460 PolarHBondContact O-OG1 3.18Å; K457-T460 PolarHBondContact O-N 2.83Å |
| 461 | E | 87 | Confident | 92.1 | Very high | 74 Ų | 74 | 47.3 Ų | 47.3 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -80.5 | -40.2 | -177 | -66.7 | -61.2 | 152 | 0 | 0 | 113.9 | M416 F419 R420 K457 L458 K459 | M416-E461 HydrophobicContact CE-CB 4.22Å; M416-E461 HydrophobicContact CE-CG 3.56Å; F419-E461 HydrophobicContact CD1-CB 4.43Å; F419-E461 HydrophobicContact CE1-CB 4.09Å; R420-E461 WeakPolarHBondContact CD-OE2 3.45Å; R420-E461 HydrophobicContact CG-CG 4.39Å; R420-E461 WeakPolarHBondContact CG-OE2 3.42Å; K457-E461 PolarHBondContact O-N 2.75Å; L458-E461 PolarHBondContact O-N 3.04Å; K459-E461 VanDerWaalsContact C-N 3.3Å; K459-E461 PolarHBondContact O-N 2.84Å |
| 462 | C | 88.6 | Confident | 92.3 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 14% | 0.142 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -114.9 | -7 | -171.7 | -62.9 | 0 | 0 | 0 | 0 | 114.6 | F419 L458 F466 | F419-C462 VanDerWaalsContact CE1-SG 3.54Å; F419-C462 VanDerWaalsContact CZ-SG 3.58Å; L458-C462 PolarHBondContact O-N 3.15Å; C462-F466 HydrophobicContact CB-CB 3.53Å; C462-F466 HydrophobicContact CB-CD1 3.68Å; C462-F466 HydrophobicContact CB-CD2 3.75Å; C462-F466 HydrophobicContact CB-CE1 4.28Å; C462-F466 HydrophobicContact CB-CE2 4.33Å; C462-F466 HydrophobicContact CB-CG 3.37Å |
| 463 | G | 88.3 | Confident | 92.4 | Very high | 31 Ų | 31 | 42 Ų | 42 | 32% | 0.32 | 23% | 0.234 | S | C | . | . | trans | 84.1 | 171 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | K459 Q465 F466 | K459-G463 WeakPolarHBondContact O-CA 3.29Å; K459-G463 PolarHBondContact O-N 3.27Å; G463-Q465 VanDerWaalsContact C-N 3.3Å; G463-Q465 PolarHBondContact O-N 3.33Å; G463-F466 WeakPolarHBondContact O-CB 3.34Å; G463-F466 PolarHBondContact O-N 3.49Å | ||
| 464 | C | 89.7 | Confident | 92.4 | Very high | 80 Ų | 80 | 40.9 Ų | 40.9 | 54% | 0.541 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.7 | -30.4 | -173.3 | -53 | 0 | 0 | 0 | 0 | 114.4 | K459 F466 T467 S468 | K459-C464 WeakPolarHBondContact CE-SG 3.42Å; C464-F466 VanDerWaalsContact C-N 3.3Å; C464-F466 PolarHBondContact O-N 3.29Å; C464-T467 PolarHBondContact O-N 2.88Å; C464-T467 PolarHBondContact O-OG1 3.25Å; C464-S468 WeakPolarHBondContact O-CB 3.43Å; C464-S468 PolarHBondContact O-N 3.08Å |
| 465 | Q | 86.8 | Confident | 92.4 | Very high | 160 Ų | 160 | 46.7 Ų | 46.7 | 75% | 0.748 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -67.4 | -35.6 | -179.3 | -69.5 | -172.1 | -12.4 | 0 | 0 | 111.6 | G463 | G463-Q465 VanDerWaalsContact C-N 3.3Å; G463-Q465 PolarHBondContact O-N 3.33Å |
| 466 | F | 88 | Confident | 92.4 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 177 | -171.2 | -92 | 0 | 0 | 0 | 111.5 | F419 K425 E429 L458 C462 G463 C464 | F419-F466 HydrophobicContact CZ-CZ 4.27Å; K425-F466 HydrophobicContact CB-CE2 4.46Å; E429-F466 HydrophobicContact CB-CE1 4.26Å; E429-F466 HydrophobicContact CB-CE2 3.7Å; E429-F466 HydrophobicContact CB-CZ 3.49Å; E429-F466 VanDerWaalsContact CB-CZ 3.49Å; E429-F466 HydrophobicContact CG-CD1 4.49Å; E429-F466 HydrophobicContact CG-CD2 4.33Å; E429-F466 HydrophobicContact CG-CE1 4Å; E429-F466 HydrophobicContact CG-CE2 3.83Å; E429-F466 HydrophobicContact CG-CZ 3.66Å; E429-F466 WeakPolarHBondContact OE2-CD2 3.19Å; E429-F466 WeakPolarHBondContact OE2-CE2 3.39Å; L458-F466 HydrophobicContact CD2-CE1 4.39Å; C462-F466 HydrophobicContact CB-CB 3.53Å; C462-F466 HydrophobicContact CB-CD1 3.68Å; C462-F466 HydrophobicContact CB-CD2 3.75Å; C462-F466 HydrophobicContact CB-CE1 4.28Å; C462-F466 HydrophobicContact CB-CE2 4.33Å; C462-F466 HydrophobicContact CB-CG 3.37Å; G463-F466 WeakPolarHBondContact O-CB 3.34Å; G463-F466 PolarHBondContact O-N 3.49Å; C464-F466 VanDerWaalsContact C-N 3.3Å; C464-F466 PolarHBondContact O-N 3.29Å |
| 467 | T | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -90.1 | -11.4 | -176.5 | 60.9 | 0 | 0 | 0 | 0 | 114.7 | I455 L458 K459 C464 K469 L470 E471 | I455-T467 HydrophobicContact CG2-CG2 4.15Å; L458-T467 HydrophobicContact CB-CG2 3.89Å; K459-T467 HydrophobicContact CB-CG2 3.76Å; K459-T467 HydrophobicContact CG-CG2 4.47Å; C464-T467 PolarHBondContact O-N 2.88Å; C464-T467 PolarHBondContact O-OG1 3.25Å; T467-K469 VanDerWaalsContact C-N 3.28Å; T467-K469 PolarHBondContact O-N 3.29Å; T467-K469 VanDerWaalsContact O-N 3.15Å; T467-L470 WeakPolarHBondContact O-CA 3.39Å; T467-L470 WeakPolarHBondContact O-CB 3.46Å; T467-L470 PolarHBondContact O-N 3.23Å; T467-E471 PolarHBondContact O-N 3.37Å; T467-E471 PolarHBondContact OG1-OE1 3.34Å |
| 468 | S | 93.3 | Very high | 92.2 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 33% | 0.329 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -51.5 | -43 | -173.6 | -179.1 | 0 | 0 | 0 | 0 | 113.7 | C464 G472 | C464-S468 WeakPolarHBondContact O-CB 3.43Å; C464-S468 PolarHBondContact O-N 3.08Å; S468-G472 PolarHBondContact O-N 3.24Å |
| 469 | K | 93.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 51 Ų | 51 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 177.9 | -63.8 | 179.4 | -178 | 167.1 | 0 | 111.7 | T467 G472 M473 Y512 | T467-K469 VanDerWaalsContact C-N 3.28Å; T467-K469 PolarHBondContact O-N 3.29Å; T467-K469 VanDerWaalsContact O-N 3.15Å; K469-G472 WeakPolarHBondContact O-CA 3.01Å; K469-G472 PolarHBondContact O-N 3.49Å; K469-M473 WeakPolarHBondContact O-CG 3.44Å; K469-M473 PolarHBondContact O-N 2.76Å; K469-Y512 HydrophobicContact CB-CD1 4.35Å; K469-Y512 HydrophobicContact CG-CD1 4.14Å |
| 470 | L | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 178.4 | -53.1 | 177.2 | 0 | 0 | 0 | 111.3 | Y432 K433 L436 I455 L458 T467 G472 M473 F474 | Y432-L470 HydrophobicContact CD1-CD1 3.94Å; Y432-L470 HydrophobicContact CD1-CD2 4.24Å; Y432-L470 HydrophobicContact CE1-CD1 4.01Å; K433-L470 HydrophobicContact CB-CD2 3.9Å; K433-L470 HydrophobicContact CG-CD2 4.02Å; L436-L470 HydrophobicContact CD2-CB 4.16Å; L436-L470 HydrophobicContact CD2-CD2 3.93Å; I455-L470 HydrophobicContact CD1-CB 3.94Å; I455-L470 HydrophobicContact CG1-CB 4.28Å; L458-L470 HydrophobicContact CD1-CD1 4.13Å; T467-L470 WeakPolarHBondContact O-CA 3.39Å; T467-L470 WeakPolarHBondContact O-CB 3.46Å; T467-L470 PolarHBondContact O-N 3.23Å; L470-G472 VanDerWaalsContact C-N 3.28Å; L470-G472 PolarHBondContact O-N 3.05Å; L470-M473 HydrophobicContact CD2-SD 4.26Å; L470-M473 WeakPolarHBondContact O-CB 3.21Å; L470-M473 PolarHBondContact O-N 3.03Å; L470-F474 PolarHBondContact O-N 3.06Å |
| 471 | E | 95 | Very high | 92.4 | Very high | 47 Ų | 47 | 46.6 Ų | 46.6 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.6 | -37.5 | 172.9 | -66.2 | 176.5 | -174 | 0 | 0 | 111.3 | I455 K459 T467 M473 F474 R475 | I455-E471 HydrophobicContact CG2-CG 3.86Å; K459-E471 WeakPolarHBondContact CD-OE1 3.33Å; K459-E471 IonicContact NZ-OE1 3.74Å; K459-E471 PolarHBondContact NZ-OE1 3.39Å; K459-E471 IonicContact NZ-OE2 2.76Å; T467-E471 PolarHBondContact O-N 3.37Å; T467-E471 PolarHBondContact OG1-OE1 3.34Å; E471-M473 VanDerWaalsContact C-N 3.35Å; E471-M473 PolarHBondContact O-N 3.47Å; E471-F474 PolarHBondContact O-N 3.27Å; E471-R475 PolarHBondContact O-N 3.45Å; E471-R475 VanDerWaalsContact O-N 3.08Å |
| 472 | G | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | S468 K469 L470 F474 R475 D476 | S468-G472 PolarHBondContact O-N 3.24Å; K469-G472 WeakPolarHBondContact O-CA 3.01Å; K469-G472 PolarHBondContact O-N 3.49Å; L470-G472 VanDerWaalsContact C-N 3.28Å; L470-G472 PolarHBondContact O-N 3.05Å; G472-F474 VanDerWaalsContact C-N 3.34Å; G472-F474 PolarHBondContact O-N 2.8Å; G472-R475 PolarHBondContact O-N 2.89Å; G472-D476 PolarHBondContact O-N 2.9Å |
| 473 | M | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 176.3 | -66 | 165.1 | 61.2 | 0 | 0 | 112 | K433 L436 A437 L440 K469 L470 E471 D476 M477 W513 | K433-M473 HydrophobicContact CD-SD 4.49Å; K433-M473 HydrophobicContact CG-SD 3.83Å; L436-M473 HydrophobicContact CB-CE 4.28Å; L436-M473 HydrophobicContact CD2-CE 4.09Å; L436-M473 HydrophobicContact CD2-SD 4.34Å; L436-M473 HydrophobicContact CG-CE 3.98Å; A437-M473 VanDerWaalsContact CA-CE 3.42Å; A437-M473 HydrophobicContact CB-CE 3.56Å; L440-M473 HydrophobicContact CD1-CB 4.08Å; L440-M473 HydrophobicContact CD1-CE 4.23Å; K469-M473 WeakPolarHBondContact O-CG 3.44Å; K469-M473 PolarHBondContact O-N 2.76Å; L470-M473 HydrophobicContact CD2-SD 4.26Å; L470-M473 WeakPolarHBondContact O-CB 3.21Å; L470-M473 PolarHBondContact O-N 3.03Å; E471-M473 VanDerWaalsContact C-N 3.35Å; E471-M473 PolarHBondContact O-N 3.47Å; M473-D476 PolarHBondContact O-N 3.16Å; M473-M477 WeakPolarHBondContact O-CG 3.15Å; M473-M477 PolarHBondContact O-N 3Å; M473-M477 VanDerWaalsContact O-N 3.09Å; M473-W513 HydrophobicContact CB-CD2 4.47Å; M473-W513 HydrophobicContact CB-CH2 4.11Å; M473-W513 HydrophobicContact CB-CZ2 3.6Å; M473-W513 HydrophobicContact CE-CD2 4.25Å; M473-W513 HydrophobicContact CE-CE3 3.85Å; M473-W513 HydrophobicContact CE-CH2 4.14Å; M473-W513 HydrophobicContact CE-CZ3 3.79Å; M473-W513 HydrophobicContact CG-CD2 3.89Å; M473-W513 HydrophobicContact CG-CE3 4.42Å; M473-W513 HydrophobicContact CG-CG 4.22Å; M473-W513 HydrophobicContact CG-CH2 4.48Å; M473-W513 HydrophobicContact CG-CZ2 3.96Å; M473-W513 WeakPolarHBondContact O-CZ2 3.46Å |
| 474 | F | 92.2 | Very high | 93.5 | Very high | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.096 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 174.3 | -90.4 | -82 | 0 | 0 | 0 | 112.4 | L436 L440 E451 I455 L470 E471 G472 D476 M477 S478 | L436-F474 HydrophobicContact CD1-CE2 3.98Å; L436-F474 HydrophobicContact CD1-CZ 4.32Å; L436-F474 HydrophobicContact CD2-CE2 4.25Å; L440-F474 HydrophobicContact CD1-CD2 4.49Å; L440-F474 HydrophobicContact CD1-CE2 4.34Å; L440-F474 HydrophobicContact CD2-CD1 4.42Å; L440-F474 HydrophobicContact CD2-CE1 3.78Å; L440-F474 HydrophobicContact CD2-CE2 4.32Å; L440-F474 HydrophobicContact CD2-CZ 3.7Å; E451-F474 HydrophobicContact CB-CE1 4.38Å; E451-F474 HydrophobicContact CB-CE2 4.17Å; E451-F474 HydrophobicContact CB-CZ 3.47Å; E451-F474 VanDerWaalsContact CB-CZ 3.47Å; E451-F474 HydrophobicContact CG-CZ 4.25Å; I455-F474 HydrophobicContact CD1-CD2 3.54Å; I455-F474 HydrophobicContact CD1-CE2 3.42Å; I455-F474 VanDerWaalsContact CD1-CE2 3.42Å; L470-F474 PolarHBondContact O-N 3.06Å; E471-F474 PolarHBondContact O-N 3.27Å; G472-F474 VanDerWaalsContact C-N 3.34Å; G472-F474 PolarHBondContact O-N 2.8Å; F474-D476 VanDerWaalsContact C-N 3.31Å; F474-D476 PolarHBondContact O-N 2.78Å; F474-M477 WeakPolarHBondContact O-CB 3.49Å; F474-M477 PolarHBondContact O-N 3.38Å; F474-M477 VanDerWaalsContact O-N 3.16Å; F474-S478 PolarHBondContact O-N 3.44Å; F474-S478 PolarHBondContact O-OG 2.84Å |
| 475 | R | 94.5 | Very high | 93.8 | Very high | 123 Ų | 123 | 44.7 Ų | 44.7 | 46% | 0.464 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 174.9 | -78.6 | -170.9 | -68 | -107.2 | -5.7 | 111.7 | E471 G472 M477 S478 I479 | E471-R475 PolarHBondContact O-N 3.45Å; E471-R475 VanDerWaalsContact O-N 3.08Å; G472-R475 PolarHBondContact O-N 2.89Å; R475-M477 VanDerWaalsContact C-N 3.29Å; R475-M477 PolarHBondContact O-N 2.61Å; R475-S478 PolarHBondContact O-N 2.89Å; R475-I479 HydrophobicContact CB-CD1 4.47Å; R475-I479 WeakPolarHBondContact O-CB 3.46Å; R475-I479 VanDerWaalsContact O-CG1 3.22Å; R475-I479 WeakPolarHBondContact O-CG1 3.31Å; R475-I479 PolarHBondContact O-N 3.21Å |
| 476 | D | 95.3 | Very high | 94.3 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -38.6 | 177.1 | -75.7 | -15.5 | 0 | 0 | 0 | 111.7 | G472 M473 F474 S480 T509 W513 | G472-D476 PolarHBondContact O-N 2.9Å; M473-D476 PolarHBondContact O-N 3.16Å; F474-D476 VanDerWaalsContact C-N 3.31Å; F474-D476 PolarHBondContact O-N 2.78Å; D476-S480 WeakPolarHBondContact O-CB 3.5Å; D476-S480 PolarHBondContact O-N 3.42Å; D476-S480 PolarHBondContact O-OG 3.1Å; D476-T509 PolarHBondContact OD1-OG1 3.43Å; D476-T509 VanDerWaalsContact OD2-CB 3.28Å; D476-T509 WeakPolarHBondContact OD2-CB 3.24Å; D476-T509 PolarHBondContact OD2-N 2.72Å; D476-T509 PolarHBondContact OD2-OG1 3.3Å; D476-W513 HydrophobicContact CB-CZ2 4.26Å; D476-W513 PolarHBondContact OD2-NE1 2.92Å |
| 477 | M | 92.7 | Very high | 94.7 | Very high | 18 Ų | 18 | 39.8 Ų | 39.8 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 175.7 | -70.2 | -59.3 | 91.8 | 0 | 0 | 111.8 | L440 L441 M473 F474 R475 S480 N481 R506 L508 W513 | L440-M477 HydrophobicContact CB-CG 4.18Å; L440-M477 HydrophobicContact CB-SD 4.27Å; L440-M477 HydrophobicContact CD1-CG 4.17Å; L440-M477 HydrophobicContact CD2-CG 4.48Å; L441-M477 HydrophobicContact CD2-CE 4.16Å; L441-M477 HydrophobicContact CD2-SD 4.44Å; M473-M477 WeakPolarHBondContact O-CG 3.15Å; M473-M477 PolarHBondContact O-N 3Å; M473-M477 VanDerWaalsContact O-N 3.09Å; F474-M477 WeakPolarHBondContact O-CB 3.49Å; F474-M477 PolarHBondContact O-N 3.38Å; F474-M477 VanDerWaalsContact O-N 3.16Å; R475-M477 VanDerWaalsContact C-N 3.29Å; R475-M477 PolarHBondContact O-N 2.61Å; M477-S480 PolarHBondContact O-N 2.9Å; M477-N481 VanDerWaalsContact O-CG 3.3Å; M477-N481 PolarHBondContact O-N 3.46Å; M477-N481 VanDerWaalsContact O-N 3.07Å; M477-N481 PolarHBondContact O-ND2 3.47Å; M477-R506 HydrophobicContact CE-CB 4.37Å; M477-L508 HydrophobicContact CE-CD2 3.13Å; M477-W513 HydrophobicContact CE-CH2 3.49Å; M477-W513 VanDerWaalsContact CE-CH2 3.49Å; M477-W513 HydrophobicContact CE-CZ2 3.39Å; M477-W513 HydrophobicContact CG-CH2 4.19Å; M477-W513 HydrophobicContact CG-CZ2 4.29Å; M477-W513 HydrophobicContact SD-CH2 4.02Å; M477-W513 HydrophobicContact SD-CZ2 4.36Å |
| 478 | S | 92.9 | Very high | 94.8 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 50% | 0.503 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.7 | -48 | 178.1 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | F474 R475 S480 N481 T482 | F474-S478 PolarHBondContact O-N 3.44Å; F474-S478 PolarHBondContact O-OG 2.84Å; R475-S478 PolarHBondContact O-N 2.89Å; S478-S480 VanDerWaalsContact C-N 3.32Å; S478-S480 PolarHBondContact O-N 3.37Å; S478-N481 PolarHBondContact O-N 2.95Å; S478-T482 PolarHBondContact O-N 3.5Å; S478-T482 VanDerWaalsContact O-N 3.09Å; S478-T482 PolarHBondContact O-OG1 3.26Å |
| 479 | I | 95.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 48.5 Ų | 48.5 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 178.1 | -67.6 | 166.4 | 0 | 0 | 0 | 110.2 | R475 N481 T482 T483 | R475-I479 HydrophobicContact CB-CD1 4.47Å; R475-I479 WeakPolarHBondContact O-CB 3.46Å; R475-I479 VanDerWaalsContact O-CG1 3.22Å; R475-I479 WeakPolarHBondContact O-CG1 3.31Å; R475-I479 PolarHBondContact O-N 3.21Å; I479-N481 VanDerWaalsContact C-N 3.31Å; I479-N481 PolarHBondContact O-N 3.24Å; I479-T482 PolarHBondContact O-N 3.45Å; I479-T483 WeakPolarHBondContact O-CB 3.42Å; I479-T483 PolarHBondContact O-N 2.91Å; I479-T483 PolarHBondContact O-OG1 3.28Å |
| 480 | S | 95 | Very high | 94.9 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -42.9 | 177.1 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | D476 M477 S478 T483 M484 V507 | D476-S480 WeakPolarHBondContact O-CB 3.5Å; D476-S480 PolarHBondContact O-N 3.42Å; D476-S480 PolarHBondContact O-OG 3.1Å; M477-S480 PolarHBondContact O-N 2.9Å; S478-S480 VanDerWaalsContact C-N 3.32Å; S478-S480 PolarHBondContact O-N 3.37Å; S480-T483 PolarHBondContact O-N 3Å; S480-M484 WeakPolarHBondContact O-CB 3.45Å; S480-M484 PolarHBondContact O-N 2.91Å; S480-V507 PolarHBondContact OG-N 2.9Å; S480-V507 PolarHBondContact OG-O 2.76Å |
| 481 | N | 93.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 48% | 0.476 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 177.7 | -67.8 | -21.4 | 0 | 0 | 0 | 111.1 | M477 S478 I479 T483 M484 D485 | M477-N481 VanDerWaalsContact O-CG 3.3Å; M477-N481 PolarHBondContact O-N 3.46Å; M477-N481 VanDerWaalsContact O-N 3.07Å; M477-N481 PolarHBondContact O-ND2 3.47Å; S478-N481 PolarHBondContact O-N 2.95Å; I479-N481 VanDerWaalsContact C-N 3.31Å; I479-N481 PolarHBondContact O-N 3.24Å; N481-T483 PolarHBondContact O-N 3.33Å; N481-M484 WeakPolarHBondContact O-CB 3.33Å; N481-M484 PolarHBondContact O-N 2.79Å; N481-M484 VanDerWaalsContact O-N 3.13Å; N481-D485 PolarHBondContact O-N 2.67Å |
| 482 | T | 96 | Very high | 94.8 | Very high | 79 Ų | 79 | 54.8 Ų | 54.8 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | S478 I479 M484 D485 E486 | S478-T482 PolarHBondContact O-N 3.5Å; S478-T482 VanDerWaalsContact O-N 3.09Å; S478-T482 PolarHBondContact O-OG1 3.26Å; I479-T482 PolarHBondContact O-N 3.45Å; T482-M484 PolarHBondContact O-N 3.04Å; T482-D485 PolarHBondContact O-N 3.48Å; T482-E486 WeakPolarHBondContact O-CG 3.21Å; T482-E486 PolarHBondContact O-N 3.44Å |
| 483 | T | 96.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -34.5 | 176 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | I479 S480 N481 F487 F535 F538 Y539 | I479-T483 WeakPolarHBondContact O-CB 3.42Å; I479-T483 PolarHBondContact O-N 2.91Å; I479-T483 PolarHBondContact O-OG1 3.28Å; S480-T483 PolarHBondContact O-N 3Å; N481-T483 PolarHBondContact O-N 3.33Å; T483-F487 WeakPolarHBondContact O-CB 3.47Å; T483-F487 PolarHBondContact O-N 2.77Å; T483-F535 HydrophobicContact CG2-CZ 4.49Å; T483-F538 HydrophobicContact CG2-CE1 4.04Å; T483-Y539 HydrophobicContact CG2-CD2 4Å; T483-Y539 HydrophobicContact CG2-CE2 4.29Å |
| 484 | M | 95.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.3 | -38.7 | 177.2 | -154.2 | 67.2 | -111.8 | 0 | 0 | 111.8 | S480 N481 T482 F487 R488 T504 V505 F535 | S480-M484 WeakPolarHBondContact O-CB 3.45Å; S480-M484 PolarHBondContact O-N 2.91Å; N481-M484 WeakPolarHBondContact O-CB 3.33Å; N481-M484 PolarHBondContact O-N 2.79Å; N481-M484 VanDerWaalsContact O-N 3.13Å; T482-M484 PolarHBondContact O-N 3.04Å; M484-F487 HydrophobicContact CE-CB 3.9Å; M484-F487 HydrophobicContact CE-CD1 3.13Å; M484-F487 HydrophobicContact CE-CE1 3.87Å; M484-F487 HydrophobicContact CE-CG 3.85Å; M484-F487 PolarHBondContact O-N 3.04Å; M484-R488 WeakPolarHBondContact O-CG 3.47Å; M484-R488 PolarHBondContact O-N 3.21Å; M484-T504 HydrophobicContact CG-CG2 4.41Å; M484-V505 HydrophobicContact SD-CB 4.26Å; M484-V505 PolarHBondContact SD-N 2.94Å; M484-F535 HydrophobicContact CE-CD2 4.27Å; M484-F535 HydrophobicContact CE-CE2 4.33Å; M484-F535 HydrophobicContact SD-CE2 4.34Å |
| 485 | D | 96.2 | Very high | 94.5 | Very high | 75 Ų | 75 | 64.2 Ų | 64.2 | 40% | 0.401 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 174.9 | -68.1 | -29 | 0 | 0 | 0 | 111.7 | N481 T482 F487 R488 Q489 | N481-D485 PolarHBondContact O-N 2.67Å; T482-D485 PolarHBondContact O-N 3.48Å; D485-F487 VanDerWaalsContact C-N 3.3Å; D485-F487 PolarHBondContact O-N 3.32Å; D485-R488 PolarHBondContact O-N 3.08Å; D485-R488 IonicContact OD1-CZ 3.28Å; D485-R488 IonicContact OD1-NH1 3.39Å; D485-R488 PolarHBondContact OD1-NH1 2.8Å; D485-Q489 WeakPolarHBondContact O-CG 3.26Å; D485-Q489 PolarHBondContact O-N 2.94Å |
| 486 | E | 96.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 172.8 | -67.9 | 173.1 | 158.5 | 0 | 0 | 111.9 | T482 Q489 H490 F538 K542 | T482-E486 WeakPolarHBondContact O-CG 3.21Å; T482-E486 PolarHBondContact O-N 3.44Å; E486-Q489 PolarHBondContact O-N 2.88Å; E486-H490 WeakPolarHBondContact O-CB 3.43Å; E486-H490 PolarHBondContact O-N 3.2Å; E486-F538 HydrophobicContact CB-CZ 4.01Å; E486-K542 IonicContact OE1-NZ 2.76Å; E486-K542 PolarHBondContact OE1-NZ 3.38Å; E486-K542 IonicContact OE2-NZ 2.64Å; E486-K542 PolarHBondContact OE2-NZ 3.38Å |
| 487 | F | 96.5 | Very high | 94 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 0% | 0.004 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 175.9 | 179.7 | -109.8 | 0 | 0 | 0 | 111.9 | T483 M484 D485 Q489 H490 L491 L498 I534 F535 F538 | T483-F487 WeakPolarHBondContact O-CB 3.47Å; T483-F487 PolarHBondContact O-N 2.77Å; M484-F487 HydrophobicContact CE-CB 3.9Å; M484-F487 HydrophobicContact CE-CD1 3.13Å; M484-F487 HydrophobicContact CE-CE1 3.87Å; M484-F487 HydrophobicContact CE-CG 3.85Å; M484-F487 PolarHBondContact O-N 3.04Å; D485-F487 VanDerWaalsContact C-N 3.3Å; D485-F487 PolarHBondContact O-N 3.32Å; F487-Q489 VanDerWaalsContact C-N 3.32Å; F487-Q489 PolarHBondContact O-N 2.94Å; F487-H490 WeakPolarHBondContact O-CB 3.41Å; F487-H490 PolarHBondContact O-N 3.04Å; F487-H490 VanDerWaalsContact O-N 3.17Å; F487-L491 HydrophobicContact CD1-CD1 3.81Å; F487-L491 HydrophobicContact CD1-CG 4.28Å; F487-L491 HydrophobicContact CE1-CD1 3.49Å; F487-L491 VanDerWaalsContact CE1-CD1 3.49Å; F487-L491 HydrophobicContact CE1-CD2 4.39Å; F487-L491 HydrophobicContact CE1-CG 4.07Å; F487-L491 HydrophobicContact CE2-CD2 4.19Å; F487-L491 HydrophobicContact CE2-CG 4.31Å; F487-L491 HydrophobicContact CZ-CD1 3.93Å; F487-L491 HydrophobicContact CZ-CD2 3.96Å; F487-L491 HydrophobicContact CZ-CG 4.09Å; F487-L491 WeakPolarHBondContact O-CG 3.37Å; F487-L491 PolarHBondContact O-N 3.41Å; F487-L498 HydrophobicContact CE1-CD1 4.25Å; F487-L498 HydrophobicContact CZ-CD2 4.17Å; F487-I534 HydrophobicContact CE2-CG2 4.08Å; F487-I534 HydrophobicContact CZ-CG2 4.05Å; F487-F535 HydrophobicContact CB-CD2 4.48Å; F487-F535 HydrophobicContact CD1-CD2 4.12Å; F487-F535 AromaticContact CD2-CD2 3.99Å; F487-F535 HydrophobicContact CD2-CD2 3.99Å; F487-F535 HydrophobicContact CE1-CB 4.4Å; F487-F535 HydrophobicContact CE1-CD2 4.19Å; F487-F535 HydrophobicContact CE2-CB 4.08Å; F487-F535 HydrophobicContact CE2-CD2 4.15Å; F487-F535 AromaticContact CG-CD2 3.94Å; F487-F535 HydrophobicContact CG-CD2 3.94Å; F487-F535 HydrophobicContact CG-CE2 4.48Å; F487-F535 HydrophobicContact CZ-CB 3.85Å; F487-F535 HydrophobicContact CZ-CD2 4.2Å; F487-F538 HydrophobicContact CB-CD1 4.03Å; F487-F538 HydrophobicContact CB-CE1 3.67Å; F487-F538 HydrophobicContact CB-CZ 4.02Å; F487-F538 HydrophobicContact CD2-CB 3.84Å; F487-F538 AromaticContact CD2-CD1 3.49Å; F487-F538 HydrophobicContact CD2-CD1 3.49Å; F487-F538 VanDerWaalsContact CD2-CD1 3.49Å; F487-F538 HydrophobicContact CD2-CD2 4.12Å; F487-F538 HydrophobicContact CD2-CE1 4.03Å; F487-F538 AromaticContact CD2-CG 3.55Å; F487-F538 HydrophobicContact CD2-CG 3.55Å; F487-F538 HydrophobicContact CE2-CB 3.97Å; F487-F538 HydrophobicContact CE2-CD1 4.36Å; F487-F538 HydrophobicContact CE2-CG 4.19Å; F487-F538 HydrophobicContact CG-CD1 4.18Å; F487-F538 HydrophobicContact CG-CE1 4.33Å |
| 488 | R | 95.2 | Very high | 94 | Very high | 104 Ų | 104 | 64.8 Ų | 64.8 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 175.4 | -71.3 | 173.6 | -170.6 | 139.5 | -2.5 | 111.5 | M484 D485 H490 L491 Q492 | M484-R488 WeakPolarHBondContact O-CG 3.47Å; M484-R488 PolarHBondContact O-N 3.21Å; D485-R488 PolarHBondContact O-N 3.08Å; D485-R488 IonicContact OD1-CZ 3.28Å; D485-R488 IonicContact OD1-NH1 3.39Å; D485-R488 PolarHBondContact OD1-NH1 2.8Å; R488-H490 VanDerWaalsContact C-N 3.35Å; R488-L491 PolarHBondContact O-N 2.8Å; R488-Q492 WeakPolarHBondContact O-CG 3.26Å; R488-Q492 PolarHBondContact O-N 2.97Å |
| 489 | Q | 95 | Very high | 93.6 | Very high | 126 Ų | 126 | 64.1 Ų | 64.1 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 174.5 | -69 | 172.5 | 20.7 | 0 | 0 | 111.6 | D485 E486 F487 L491 Q492 A493 | D485-Q489 WeakPolarHBondContact O-CG 3.26Å; D485-Q489 PolarHBondContact O-N 2.94Å; E486-Q489 PolarHBondContact O-N 2.88Å; F487-Q489 VanDerWaalsContact C-N 3.32Å; F487-Q489 PolarHBondContact O-N 2.94Å; Q489-L491 PolarHBondContact O-N 2.87Å; Q489-Q492 PolarHBondContact O-N 3.28Å; Q489-A493 WeakPolarHBondContact O-CB 3.29Å; Q489-A493 PolarHBondContact O-N 3.17Å |
| 490 | H | 94.5 | Very high | 93.1 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 34% | 0.343 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 176 | -179.9 | 73.5 | 0 | 0 | 0 | 112.3 | E486 F487 R488 A493 T494 F538 | E486-H490 WeakPolarHBondContact O-CB 3.43Å; E486-H490 PolarHBondContact O-N 3.2Å; F487-H490 WeakPolarHBondContact O-CB 3.41Å; F487-H490 PolarHBondContact O-N 3.04Å; F487-H490 VanDerWaalsContact O-N 3.17Å; R488-H490 VanDerWaalsContact C-N 3.35Å; H490-A493 PolarHBondContact O-N 2.99Å; H490-T494 VanDerWaalsContact CE1-CG2 3.46Å; H490-T494 WeakPolarHBondContact CE1-CG2 3.28Å; H490-T494 WeakPolarHBondContact O-CB 3.5Å; H490-T494 WeakPolarHBondContact O-CG2 3.4Å; H490-T494 PolarHBondContact O-N 2.94Å; H490-T494 PolarHBondContact O-OG1 3.22Å; H490-F538 HydrophobicContact CB-CD2 4.04Å; H490-F538 HydrophobicContact CB-CE2 3.85Å; H490-F538 AromaticContact CD2-CD2 3.78Å; H490-F538 AromaticContact CG-CD2 3.8Å |
| 491 | L | 94.2 | Very high | 93 | Very high | 28 Ų | 28 | 65.3 Ų | 65.3 | 15% | 0.147 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.3 | -68.2 | 174.8 | 0 | 0 | 0 | 111.8 | F487 R488 Q489 G495 V496 L498 I534 | F487-L491 HydrophobicContact CD1-CD1 3.81Å; F487-L491 HydrophobicContact CD1-CG 4.28Å; F487-L491 HydrophobicContact CE1-CD1 3.49Å; F487-L491 VanDerWaalsContact CE1-CD1 3.49Å; F487-L491 HydrophobicContact CE1-CD2 4.39Å; F487-L491 HydrophobicContact CE1-CG 4.07Å; F487-L491 HydrophobicContact CE2-CD2 4.19Å; F487-L491 HydrophobicContact CE2-CG 4.31Å; F487-L491 HydrophobicContact CZ-CD1 3.93Å; F487-L491 HydrophobicContact CZ-CD2 3.96Å; F487-L491 HydrophobicContact CZ-CG 4.09Å; F487-L491 WeakPolarHBondContact O-CG 3.37Å; F487-L491 PolarHBondContact O-N 3.41Å; R488-L491 PolarHBondContact O-N 2.8Å; Q489-L491 PolarHBondContact O-N 2.87Å; L491-G495 WeakPolarHBondContact O-CA 3.42Å; L491-G495 PolarHBondContact O-N 3.06Å; L491-V496 HydrophobicContact CD2-CB 4.15Å; L491-V496 HydrophobicContact CD2-CG1 4.24Å; L491-V496 WeakPolarHBondContact CD2-O 3.41Å; L491-L498 HydrophobicContact CD1-CD1 3.79Å; L491-L498 HydrophobicContact CD1-CD2 4.32Å; L491-L498 HydrophobicContact CD1-CG 4Å; L491-L498 HydrophobicContact CD2-CD2 4.01Å; L491-L498 HydrophobicContact CD2-CG 4.34Å; L491-I534 HydrophobicContact CD2-CG2 4.26Å |
| 492 | Q | 92.5 | Very high | 93 | Very high | 159 Ų | 159 | 68 Ų | 68 | 74% | 0.743 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 176.4 | -71.5 | 173.5 | -3.2 | 0 | 0 | 112 | R488 Q489 | R488-Q492 WeakPolarHBondContact O-CG 3.26Å; R488-Q492 PolarHBondContact O-N 2.97Å; Q489-Q492 PolarHBondContact O-N 3.28Å |
| 493 | A | 93.8 | Very high | 92.9 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 71% | 0.711 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -72.7 | -34.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q489 H490 | Q489-A493 WeakPolarHBondContact O-CB 3.29Å; Q489-A493 PolarHBondContact O-N 3.17Å; H490-A493 PolarHBondContact O-N 2.99Å |
| 494 | T | 93.2 | Very high | 92.8 | Very high | 69 Ų | 69 | 69.1 Ų | 69.1 | 42% | 0.423 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -94.2 | -16.4 | -176.5 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | H490 V496 | H490-T494 VanDerWaalsContact CE1-CG2 3.46Å; H490-T494 WeakPolarHBondContact CE1-CG2 3.28Å; H490-T494 WeakPolarHBondContact O-CB 3.5Å; H490-T494 WeakPolarHBondContact O-CG2 3.4Å; H490-T494 PolarHBondContact O-N 2.94Å; H490-T494 PolarHBondContact O-OG1 3.22Å; T494-V496 PolarHBondContact O-N 3.26Å; T494-V496 WeakPolarHBondContact OG1-CG2 3.35Å |
| 495 | G | 89.7 | Confident | 92.8 | Very high | 64 Ų | 64 | 69.8 Ų | 69.8 | 66% | 0.66 | 43% | 0.428 | S | S | * | . | trans | 68.9 | 12.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L491 S497 | L491-G495 WeakPolarHBondContact O-CA 3.42Å; L491-G495 PolarHBondContact O-N 3.06Å; G495-S497 PolarHBondContact O-N 3.01Å | ||
| 496 | V | 90.1 | Very high | 92.6 | Very high | 62 Ų | 62 | 71 Ų | 71 | 38% | 0.376 | 43% | 0.427 | S | S | . | . | trans | -67.3 | 123.4 | 178.1 | 174.3 | 0 | 0 | 0 | 0 | 109.5 | L491 T494 I534 | L491-V496 HydrophobicContact CD2-CB 4.15Å; L491-V496 HydrophobicContact CD2-CG1 4.24Å; L491-V496 WeakPolarHBondContact CD2-O 3.41Å; T494-V496 PolarHBondContact O-N 3.26Å; T494-V496 WeakPolarHBondContact OG1-CG2 3.35Å; V496-I534 HydrophobicContact CG1-CD1 3.9Å; V496-I534 HydrophobicContact CG1-CG1 4.37Å; V496-I534 HydrophobicContact CG1-CG2 3.88Å | ||
| 497 | S | 89.3 | Confident | 92.5 | Very high | 83 Ų | 83 | 69.4 Ų | 69.4 | 58% | 0.58 | 42% | 0.421 | S | S | * | . | trans | -90.8 | 137.6 | -179.8 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | G495 G499 | G495-S497 PolarHBondContact O-N 3.01Å; S497-G499 VanDerWaalsContact C-N 3.29Å; S497-G499 PolarHBondContact OG-N 3.49Å | ||
| 498 | L | 92.1 | Very high | 92.4 | Very high | 20 Ų | 20 | 71.6 Ų | 71.6 | 11% | 0.105 | 43% | 0.433 | C | S | . | . | trans | -87.8 | 10.7 | 172.4 | -59.8 | -175 | 0 | 0 | 0 | 113.4 | F487 L491 G500 V501 L503 A531 I534 | F487-L498 HydrophobicContact CE1-CD1 4.25Å; F487-L498 HydrophobicContact CZ-CD2 4.17Å; L491-L498 HydrophobicContact CD1-CD1 3.79Å; L491-L498 HydrophobicContact CD1-CD2 4.32Å; L491-L498 HydrophobicContact CD1-CG 4Å; L491-L498 HydrophobicContact CD2-CD2 4.01Å; L491-L498 HydrophobicContact CD2-CG 4.34Å; L498-G500 PolarHBondContact O-N 3.06Å; L498-V501 WeakPolarHBondContact CB-O 3.44Å; L498-V501 WeakPolarHBondContact CD1-O 3.34Å; L498-V501 PolarHBondContact O-N 2.9Å; L498-L503 HydrophobicContact CD1-CB 4.04Å; L498-A531 HydrophobicContact CB-CB 4.28Å; L498-A531 HydrophobicContact CD2-CB 4.31Å; L498-I534 HydrophobicContact CD2-CB 4.15Å; L498-I534 HydrophobicContact CD2-CD1 3.84Å; L498-I534 HydrophobicContact CD2-CG2 4.04Å | ||
| 499 | G | 84.5 | Confident | 92.4 | Very high | 57 Ų | 57 | 69.3 Ų | 69.3 | 59% | 0.588 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 34.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S497 V501 | S497-G499 VanDerWaalsContact C-N 3.29Å; S497-G499 PolarHBondContact OG-N 3.49Å; G499-V501 VanDerWaalsContact C-N 3.31Å; G499-V501 PolarHBondContact O-N 3.35Å |
| 500 | G | 85.5 | Confident | 92.2 | Very high | 85 Ų | 85 | 68.4 Ų | 68.4 | 88% | 0.876 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 3.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L498 | L498-G500 PolarHBondContact O-N 3.06Š|
| 501 | V | 93.2 | Very high | 91.9 | Very high | 38 Ų | 38 | 67.4 Ų | 67.4 | 23% | 0.23 | 44% | 0.444 | C | S | . | . | trans | -87.7 | 121.2 | 174.7 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | L498 G499 L503 A527 A531 | L498-V501 WeakPolarHBondContact CB-O 3.44Å; L498-V501 WeakPolarHBondContact CD1-O 3.34Å; L498-V501 PolarHBondContact O-N 2.9Å; G499-V501 VanDerWaalsContact C-N 3.31Å; G499-V501 PolarHBondContact O-N 3.35Å; V501-L503 PolarHBondContact O-N 2.9Å; V501-A527 HydrophobicContact CG2-CB 4.05Å; V501-A531 HydrophobicContact CB-CB 4.04Å; V501-A531 HydrophobicContact CG1-CB 4.04Å | ||
| 502 | D | 93.5 | Very high | 91.8 | Very high | 145 Ų | 145 | 69.6 Ų | 69.6 | 78% | 0.775 | 45% | 0.45 | S | S | * | . | trans | -82.4 | 106.4 | 166 | -176.3 | 10.8 | 0 | 0 | 0 | 109.6 | ||||
| 503 | L | 94.6 | Very high | 91.7 | Very high | 30 Ų | 30 | 62.4 Ų | 62.4 | 16% | 0.157 | 42% | 0.417 | C | S | . | . | trans | -105.3 | 125.1 | -173.5 | -178.3 | 68.6 | 0 | 0 | 0 | 111.2 | L498 V501 V505 A531 F535 | L498-L503 HydrophobicContact CD1-CB 4.04Å; V501-L503 PolarHBondContact O-N 2.9Å; L503-V505 HydrophobicContact CD1-CG2 3.97Å; L503-V505 HydrophobicContact CD2-CG2 3.8Å; L503-V505 HydrophobicContact CG-CG2 3.74Å; L503-A531 HydrophobicContact CD2-CB 4.19Å; L503-A531 WeakPolarHBondContact CD2-O 3.43Å; L503-F535 HydrophobicContact CD2-CB 3.91Å | ||
| 504 | T | 94.1 | Very high | 91.2 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | trans | -119.6 | 123.8 | 165.9 | -63.7 | 0 | 0 | 0 | 0 | 109.5 | M484 | M484-T504 HydrophobicContact CG-CG2 4.41Š| ||
| 505 | V | 94.3 | Very high | 90.2 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 12% | 0.121 | 39% | 0.387 | C | S | . | . | trans | -116.1 | 139.2 | 179.6 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | M484 L503 V507 F535 | M484-V505 HydrophobicContact SD-CB 4.26Å; M484-V505 PolarHBondContact SD-N 2.94Å; L503-V505 HydrophobicContact CD1-CG2 3.97Å; L503-V505 HydrophobicContact CD2-CG2 3.8Å; L503-V505 HydrophobicContact CG-CG2 3.74Å; V505-V507 HydrophobicContact CG1-CG2 4.27Å; V505-F535 HydrophobicContact CB-CD1 4.08Å; V505-F535 HydrophobicContact CB-CD2 4.28Å; V505-F535 HydrophobicContact CB-CE1 3.78Å; V505-F535 HydrophobicContact CB-CE2 3.98Å; V505-F535 HydrophobicContact CB-CG 4.32Å; V505-F535 HydrophobicContact CB-CZ 3.72Å; V505-F535 HydrophobicContact CG1-CD1 3.96Å; V505-F535 HydrophobicContact CG1-CE1 3.47Å; V505-F535 VanDerWaalsContact CG1-CE1 3.47Å; V505-F535 HydrophobicContact CG1-CZ 3.8Å; V505-F535 HydrophobicContact CG2-CB 4.44Å; V505-F535 HydrophobicContact CG2-CD1 3.81Å; V505-F535 HydrophobicContact CG2-CD2 4.04Å; V505-F535 HydrophobicContact CG2-CE1 4.06Å; V505-F535 HydrophobicContact CG2-CE2 4.26Å; V505-F535 HydrophobicContact CG2-CG 3.8Å; V505-F535 HydrophobicContact CG2-CZ 4.27Å | ||
| 506 | R | 93.2 | Very high | 89.2 | Confident | 101 Ų | 101 | 60.8 Ų | 60.8 | 38% | 0.381 | 38% | 0.378 | S | S | . | . | trans | -116 | 121.3 | 169.7 | -63 | -175.7 | -178.6 | 120.6 | -6.5 | 108.9 | L441 M477 L508 | L441-R506 PolarHBondContact O-NH1 2.79Å; M477-R506 HydrophobicContact CE-CB 4.37Å; R506-L508 HydrophobicContact CB-CD2 4.14Å | ||
| 507 | V | 94.5 | Very high | 88 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 15% | 0.152 | 40% | 0.401 | C | S | . | . | trans | -99 | 119.5 | -178.6 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | S480 V505 F535 Y539 L548 | S480-V507 PolarHBondContact OG-N 2.9Å; S480-V507 PolarHBondContact OG-O 2.76Å; V505-V507 HydrophobicContact CG1-CG2 4.27Å; V507-F535 HydrophobicContact CG2-CE1 4.01Å; V507-F535 HydrophobicContact CG2-CZ 3.87Å; V507-Y539 HydrophobicContact CB-CE2 4.18Å; V507-Y539 HydrophobicContact CG1-CE1 4.36Å; V507-Y539 HydrophobicContact CG1-CE2 3.98Å; V507-Y539 HydrophobicContact CG2-CD2 4.08Å; V507-Y539 HydrophobicContact CG2-CE2 3.84Å; V507-L548 HydrophobicContact CG1-CD2 3.91Å | ||
| 508 | L | 94.1 | Very high | 87.1 | Confident | 46 Ų | 46 | 63 Ų | 63 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | trans | -116.9 | 137.2 | -169.3 | -46.6 | -177.5 | 0 | 0 | 0 | 110.4 | L441 M477 R506 T510 W513 M554 | L441-L508 HydrophobicContact CD2-CD1 3.96Å; L441-L508 HydrophobicContact CD2-CD2 4.32Å; M477-L508 HydrophobicContact CE-CD2 3.13Å; R506-L508 HydrophobicContact CB-CD2 4.14Å; L508-T510 PolarHBondContact O-N 2.91Å; L508-W513 HydrophobicContact CB-CD2 4.26Å; L508-W513 HydrophobicContact CB-CG 4.02Å; L508-W513 HydrophobicContact CD1-CD2 3.94Å; L508-W513 HydrophobicContact CD1-CE3 4.05Å; L508-W513 HydrophobicContact CD1-CG 4.29Å; L508-W513 HydrophobicContact CD1-CZ3 4.48Å; L508-W513 HydrophobicContact CD2-CD2 4.36Å; L508-W513 HydrophobicContact CD2-CH2 4.3Å; L508-W513 HydrophobicContact CD2-CZ2 3.79Å; L508-W513 HydrophobicContact CG-CD2 4.41Å; L508-M554 HydrophobicContact CD1-CE 4.35Å | ||
| 509 | T | 94.7 | Very high | 86.1 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 35% | 0.35 | 41% | 0.409 | S | S | . | . | trans | -77 | 116 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 110.2 | D476 G511 Y512 W513 | D476-T509 PolarHBondContact OD1-OG1 3.43Å; D476-T509 VanDerWaalsContact OD2-CB 3.28Å; D476-T509 WeakPolarHBondContact OD2-CB 3.24Å; D476-T509 PolarHBondContact OD2-N 2.72Å; D476-T509 PolarHBondContact OD2-OG1 3.3Å; T509-G511 PolarHBondContact O-N 2.93Å; T509-Y512 HydrophobicContact CG2-CD2 3.8Å; T509-Y512 HydrophobicContact CG2-CE2 3.9Å; T509-Y512 HydrophobicContact CG2-CG 4.26Å; T509-Y512 PolarHBondContact O-N 3.44Å; T509-W513 PolarHBondContact O-N 3.33Å | ||
| 510 | T | 90.1 | Very high | 85.6 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 65% | 0.65 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -37.3 | -172.4 | -50.7 | 0 | 0 | 0 | 0 | 114.4 | L508 Y512 | L508-T510 PolarHBondContact O-N 2.91Å; T510-Y512 VanDerWaalsContact C-N 3.35Å; T510-Y512 PolarHBondContact O-N 3.4Å |
| 511 | G | 88.6 | Confident | 85.4 | Confident | 54 Ų | 54 | 65 Ų | 65 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T509 | T509-G511 PolarHBondContact O-N 2.93Š|
| 512 | Y | 91.3 | Very high | 85.2 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 29% | 0.286 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -34.4 | -179.2 | -62.1 | -25.5 | 0 | 0 | 0 | 112.5 | K469 T509 T510 | K469-Y512 HydrophobicContact CB-CD1 4.35Å; K469-Y512 HydrophobicContact CG-CD1 4.14Å; T509-Y512 HydrophobicContact CG2-CD2 3.8Å; T509-Y512 HydrophobicContact CG2-CE2 3.9Å; T509-Y512 HydrophobicContact CG2-CG 4.26Å; T509-Y512 PolarHBondContact O-N 3.44Å; T510-Y512 VanDerWaalsContact C-N 3.35Å; T510-Y512 PolarHBondContact O-N 3.4Å |
| 513 | W | 91.4 | Very high | 85.2 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -92.8 | 149 | -172.2 | -67.3 | 77.1 | 0 | 0 | 0 | 112.1 | A437 L440 L441 M473 D476 M477 L508 T509 T515 | A437-W513 HydrophobicContact CB-CE3 3.75Å; A437-W513 HydrophobicContact CB-CZ3 3.8Å; L440-W513 HydrophobicContact CB-CH2 4.11Å; L440-W513 HydrophobicContact CD1-CH2 3.94Å; L441-W513 HydrophobicContact CD1-CE3 4.2Å; L441-W513 HydrophobicContact CD1-CZ3 3.82Å; L441-W513 HydrophobicContact CD2-CH2 4.2Å; L441-W513 HydrophobicContact CD2-CZ3 3.99Å; L441-W513 HydrophobicContact CG-CH2 4.24Å; L441-W513 HydrophobicContact CG-CZ3 3.69Å; M473-W513 HydrophobicContact CB-CD2 4.47Å; M473-W513 HydrophobicContact CB-CH2 4.11Å; M473-W513 HydrophobicContact CB-CZ2 3.6Å; M473-W513 HydrophobicContact CE-CD2 4.25Å; M473-W513 HydrophobicContact CE-CE3 3.85Å; M473-W513 HydrophobicContact CE-CH2 4.14Å; M473-W513 HydrophobicContact CE-CZ3 3.79Å; M473-W513 HydrophobicContact CG-CD2 3.89Å; M473-W513 HydrophobicContact CG-CE3 4.42Å; M473-W513 HydrophobicContact CG-CG 4.22Å; M473-W513 HydrophobicContact CG-CH2 4.48Å; M473-W513 HydrophobicContact CG-CZ2 3.96Å; M473-W513 WeakPolarHBondContact O-CZ2 3.46Å; D476-W513 HydrophobicContact CB-CZ2 4.26Å; D476-W513 PolarHBondContact OD2-NE1 2.92Å; M477-W513 HydrophobicContact CE-CH2 3.49Å; M477-W513 VanDerWaalsContact CE-CH2 3.49Å; M477-W513 HydrophobicContact CE-CZ2 3.39Å; M477-W513 HydrophobicContact CG-CH2 4.19Å; M477-W513 HydrophobicContact CG-CZ2 4.29Å; M477-W513 HydrophobicContact SD-CH2 4.02Å; M477-W513 HydrophobicContact SD-CZ2 4.36Å; L508-W513 HydrophobicContact CB-CD2 4.26Å; L508-W513 HydrophobicContact CB-CG 4.02Å; L508-W513 HydrophobicContact CD1-CD2 3.94Å; L508-W513 HydrophobicContact CD1-CE3 4.05Å; L508-W513 HydrophobicContact CD1-CG 4.29Å; L508-W513 HydrophobicContact CD1-CZ3 4.48Å; L508-W513 HydrophobicContact CD2-CD2 4.36Å; L508-W513 HydrophobicContact CD2-CH2 4.3Å; L508-W513 HydrophobicContact CD2-CZ2 3.79Å; L508-W513 HydrophobicContact CG-CD2 4.41Å; T509-W513 PolarHBondContact O-N 3.33Å; W513-T515 VanDerWaalsContact C-N 3.34Å; W513-T515 HydrophobicContact CB-CG2 4.37Å; W513-T515 PolarHBondContact O-N 3.17Å |
| 514 | P | 83.3 | Confident | 85.1 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 20% | 0.201 | 35% | 0.346 | C | S | . | . | trans | -73.5 | 90 | 172.5 | 28.7 | -28.6 | 0 | 0 | 0 | 109.1 | K433 Q434 A437 | K433-P514 HydrophobicContact CG-CG 4.42Å; Q434-P514 HydrophobicContact CG-CB 4.03Å; Q434-P514 HydrophobicContact CG-CG 4.31Å; A437-P514 HydrophobicContact CB-CG 3.65Å | ||
| 515 | T | 73.1 | Confident | 85.1 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | trans | -97.2 | 150.2 | 176.4 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | W513 | W513-T515 VanDerWaalsContact C-N 3.34Å; W513-T515 HydrophobicContact CB-CG2 4.37Å; W513-T515 PolarHBondContact O-N 3.17Å | ||
| 516 | Q | 68.4 | Low | 85 | Confident | 104 Ų | 104 | 61 Ų | 61 | 49% | 0.486 | 36% | 0.355 | S | S | . | . | trans | -75 | 148.1 | 168.1 | -62.9 | -174.3 | 24.4 | 0 | 0 | 109.5 | A518 | Q516-A518 PolarHBondContact O-N 3.41Š| ||
| 517 | S | 65.2 | Low | 84.9 | Confident | 121 Ų | 121 | 58.6 Ų | 58.6 | 85% | 0.846 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -63.4 | -26 | -179.6 | -43.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 518 | A | 69.7 | Low | 84.9 | Confident | 71 Ų | 71 | 58.8 Ų | 58.8 | 59% | 0.587 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -128.5 | 127.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q516 P520 | Q516-A518 PolarHBondContact O-N 3.41Å; A518-P520 WeakPolarHBondContact O-CD 3.4Å |
| 519 | T | 70.4 | Confident | 84.8 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -74 | 124.1 | 172.8 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | K521 L550 Q551 | T519-K521 PolarHBondContact O-N 2.92Å; T519-L550 WeakPolarHBondContact CG2-O 3.35Å; T519-Q551 PolarHBondContact OG1-NE2 3.43Å |
| 520 | P | 73.6 | Confident | 84.9 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 10% | 0.104 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 129 | 170.7 | -26.9 | 35.7 | 0 | 0 | 0 | 110.5 | A518 H552 H553 F597 P623 | A518-P520 WeakPolarHBondContact O-CD 3.4Å; P520-H552 PolarHBondContact O-ND1 2.8Å; P520-H553 HydrophobicContact CG-CB 4.45Å; P520-F597 HydrophobicContact CB-CE1 4.46Å; P520-F597 HydrophobicContact CB-CZ 3.86Å; P520-F597 HydrophobicContact CG-CZ 4.34Å; P520-P623 HydrophobicContact CB-CG 3.93Å |
| 521 | K | 81.5 | Confident | 85.1 | Confident | 143 Ų | 143 | 60.1 Ų | 60.1 | 62% | 0.622 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 150.5 | 170.1 | -62.2 | -173.1 | -178.4 | 178.2 | 0 | 109.4 | T519 D621 | T519-K521 PolarHBondContact O-N 2.92Å; K521-D621 CarbonylContact C-O 3.4Å; K521-D621 VanDerWaalsContact C-O 3.24Å; K521-D621 WeakPolarHBondContact CB-OD2 3.32Å; K521-D621 VanDerWaalsContact CD-OD2 3.22Å; K521-D621 WeakPolarHBondContact CD-OD2 3.41Å |
| 522 | C | 90.5 | Very high | 85.4 | Confident | 13 Ų | 13 | 59 Ų | 59 | 9% | 0.088 | 33% | 0.327 | C | S | . | . | trans | -166.5 | 124.6 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 109 | I524 H552 F597 T600 T620 | C522-I524 PolarHBondContact O-N 3.47Å; C522-I524 VanDerWaalsContact O-N 3.08Å; C522-H552 HydrophobicContact CB-CB 4.01Å; C522-F597 HydrophobicContact CB-CD1 4.44Å; C522-F597 HydrophobicContact CB-CE1 4.1Å; C522-T600 PolarHBondContact SG-OG1 3.4Å; C522-T600 VanDerWaalsContact SG-OG1 3.35Å; C522-T620 CarbonylContact C-O 3.53Å; C522-T620 WeakPolarHBondContact CA-O 3.42Å | ||
| 523 | N | 93.1 | Very high | 85.5 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | trans | -79 | 88.3 | 173.4 | -71.7 | -27.2 | 0 | 0 | 0 | 110.2 | T600 E619 T620 | N523-T600 VanDerWaalsContact O-CG2 3.25Å; N523-T600 WeakPolarHBondContact O-CG2 3.48Å; N523-E619 WeakPolarHBondContact CB-O 3.37Å; N523-E619 PolarHBondContact ND2-O 3.09Å; N523-T620 PolarHBondContact N-O 3.46Å | ||
| 524 | I | 92.4 | Very high | 85.7 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 11% | 0.108 | 33% | 0.332 | C | S | . | . | trans | -60.1 | 136 | 177.9 | -63.8 | 176 | 0 | 0 | 0 | 110.6 | C522 P528 R529 L550 H552 | C522-I524 PolarHBondContact O-N 3.47Å; C522-I524 VanDerWaalsContact O-N 3.08Å; I524-P528 HydrophobicContact CG2-CB 3.96Å; I524-P528 HydrophobicContact CG2-CG 3.72Å; I524-R529 HydrophobicContact CB-CB 4.44Å; I524-R529 HydrophobicContact CG2-CB 4.1Å; I524-R529 PolarHBondContact O-NE 3.1Å; I524-R529 PolarHBondContact O-NH2 3.48Å; I524-L550 HydrophobicContact CD1-CD2 3.26Å; I524-H552 WeakPolarHBondContact CD1-NE2 3.33Å | ||
| 525 | P | 93.2 | Very high | 86.3 | Confident | 14 Ų | 14 | 58 Ų | 58 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | trans | -55 | 154.9 | 176.5 | -26.6 | 35 | 0 | 0 | 0 | 114.2 | A527 P528 R529 M603 | P525-A527 PolarHBondContact O-N 3.26Å; P525-P528 HydrophobicContact CB-CG 4.04Å; P525-P528 HydrophobicContact CG-CG 4.46Å; P525-P528 VanDerWaalsContact O-CD 3.29Å; P525-P528 WeakPolarHBondContact O-CD 3.22Å; P525-P528 WeakPolarHBondContact O-CG 3.28Å; P525-R529 VanDerWaalsContact O-CB 3.28Å; P525-R529 WeakPolarHBondContact O-CB 3.4Å; P525-R529 PolarHBondContact O-N 3.32Å; P525-R529 VanDerWaalsContact O-N 3.08Å; P525-M603 HydrophobicContact CB-CB 4.34Å; P525-M603 HydrophobicContact CB-CG 4.4Å; P525-M603 HydrophobicContact CG-CB 3.79Å; P525-M603 HydrophobicContact CG-CG 3.9Å | ||
| 526 | P | 92 | Very high | 87.4 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 71% | 0.714 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -55.3 | -45.6 | -172 | -28.9 | 35.7 | 0 | 0 | 0 | 115.5 | R529 H530 | P526-R529 PolarHBondContact O-N 2.94Å; P526-H530 WeakPolarHBondContact O-CB 3.25Å; P526-H530 PolarHBondContact O-N 3.41Å |
| 527 | A | 92 | Very high | 88.6 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 41% | 0.413 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -56.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V501 P525 R529 H530 A531 | V501-A527 HydrophobicContact CG2-CB 4.05Å; P525-A527 PolarHBondContact O-N 3.26Å; A527-R529 VanDerWaalsContact C-N 3.29Å; A527-R529 PolarHBondContact O-N 3.03Å; A527-H530 PolarHBondContact O-N 2.94Å; A527-A531 PolarHBondContact O-N 3.46Å; A527-A531 VanDerWaalsContact O-N 3.13Å |
| 528 | P | 93.7 | Very high | 90.1 | Very high | 30 Ų | 30 | 58.5 Ų | 58.5 | 20% | 0.195 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -30.9 | 175.5 | 20.8 | -30.2 | 0 | 0 | 0 | 113.3 | I524 P525 A531 F532 M599 | I524-P528 HydrophobicContact CG2-CB 3.96Å; I524-P528 HydrophobicContact CG2-CG 3.72Å; P525-P528 HydrophobicContact CB-CG 4.04Å; P525-P528 HydrophobicContact CG-CG 4.46Å; P525-P528 VanDerWaalsContact O-CD 3.29Å; P525-P528 WeakPolarHBondContact O-CD 3.22Å; P525-P528 WeakPolarHBondContact O-CG 3.28Å; P528-A531 PolarHBondContact O-N 3.42Å; P528-F532 WeakPolarHBondContact O-CB 3.18Å; P528-F532 PolarHBondContact O-N 2.94Å; P528-M599 HydrophobicContact CG-CE 4.21Å; P528-M599 HydrophobicContact CG-SD 4.39Å |
| 529 | R | 93.6 | Very high | 91.4 | Very high | 128 Ų | 128 | 55.6 Ų | 55.6 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 174.4 | -175.2 | -175 | -60.8 | -177.9 | -3.3 | 111.5 | I524 P525 P526 A527 F532 E533 | I524-R529 HydrophobicContact CB-CB 4.44Å; I524-R529 HydrophobicContact CG2-CB 4.1Å; I524-R529 PolarHBondContact O-NE 3.1Å; I524-R529 PolarHBondContact O-NH2 3.48Å; P525-R529 VanDerWaalsContact O-CB 3.28Å; P525-R529 WeakPolarHBondContact O-CB 3.4Å; P525-R529 PolarHBondContact O-N 3.32Å; P525-R529 VanDerWaalsContact O-N 3.08Å; P526-R529 PolarHBondContact O-N 2.94Å; A527-R529 VanDerWaalsContact C-N 3.29Å; A527-R529 PolarHBondContact O-N 3.03Å; R529-F532 PolarHBondContact O-N 3.24Å; R529-E533 PolarHBondContact O-N 2.95Å |
| 530 | H | 94.8 | Very high | 92.6 | Very high | 109 Ų | 109 | 56.1 Ų | 56.1 | 51% | 0.505 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 177.3 | -178.5 | 65.9 | 0 | 0 | 0 | 111.8 | P526 A527 F532 E533 I534 | P526-H530 WeakPolarHBondContact O-CB 3.25Å; P526-H530 PolarHBondContact O-N 3.41Å; A527-H530 PolarHBondContact O-N 2.94Å; H530-F532 VanDerWaalsContact C-N 3.31Å; H530-F532 PolarHBondContact O-N 3.04Å; H530-E533 PolarHBondContact O-N 2.85Å; H530-E533 VanDerWaalsContact O-N 3.16Å; H530-I534 PolarHBondContact O-N 3.47Å; H530-I534 VanDerWaalsContact O-N 3.15Å |
| 531 | A | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L498 V501 L503 A527 P528 I534 F535 | L498-A531 HydrophobicContact CB-CB 4.28Å; L498-A531 HydrophobicContact CD2-CB 4.31Å; V501-A531 HydrophobicContact CB-CB 4.04Å; V501-A531 HydrophobicContact CG1-CB 4.04Å; L503-A531 HydrophobicContact CD2-CB 4.19Å; L503-A531 WeakPolarHBondContact CD2-O 3.43Å; A527-A531 PolarHBondContact O-N 3.46Å; A527-A531 VanDerWaalsContact O-N 3.13Å; P528-A531 PolarHBondContact O-N 3.42Å; A531-I534 PolarHBondContact O-N 3.13Å; A531-F535 PolarHBondContact O-N 3.46Å |
| 532 | F | 94.6 | Very high | 94.1 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 176.6 | 178.2 | -107.2 | 0 | 0 | 0 | 112.9 | P528 R529 H530 I534 F535 R536 L550 | P528-F532 WeakPolarHBondContact O-CB 3.18Å; P528-F532 PolarHBondContact O-N 2.94Å; R529-F532 PolarHBondContact O-N 3.24Å; H530-F532 VanDerWaalsContact C-N 3.31Å; H530-F532 PolarHBondContact O-N 3.04Å; F532-I534 VanDerWaalsContact C-N 3.32Å; F532-I534 PolarHBondContact O-N 2.74Å; F532-F535 HydrophobicContact CE2-CD1 4.36Å; F532-F535 WeakPolarHBondContact O-CB 3.2Å; F532-F535 PolarHBondContact O-N 2.63Å; F532-R536 WeakPolarHBondContact O-CB 3.1Å; F532-R536 PolarHBondContact O-N 3.26Å; F532-L550 HydrophobicContact CD1-CD2 4.19Å; F532-L550 HydrophobicContact CD2-CD1 4.22Å; F532-L550 HydrophobicContact CE1-CB 4.37Å; F532-L550 HydrophobicContact CE1-CD2 4.17Å; F532-L550 HydrophobicContact CE2-CD1 3.78Å; F532-L550 HydrophobicContact CG-CD2 4.38Å; F532-L550 HydrophobicContact CZ-CB 4.19Å; F532-L550 HydrophobicContact CZ-CD1 3.99Å; F532-L550 HydrophobicContact CZ-CD2 4.36Å; F532-L550 HydrophobicContact CZ-CG 4.43Å |
| 533 | E | 94.4 | Very high | 94.2 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 178.9 | -172 | 55.3 | -150.9 | 0 | 0 | 112.1 | R529 H530 R536 R537 | R529-E533 PolarHBondContact O-N 2.95Å; H530-E533 PolarHBondContact O-N 2.85Å; H530-E533 VanDerWaalsContact O-N 3.16Å; E533-R536 PolarHBondContact O-N 2.64Å; E533-R536 WeakPolarHBondContact OE2-CD 3.36Å; E533-R536 IonicContact OE2-NH1 3.32Å; E533-R537 WeakPolarHBondContact O-CG 3.42Å; E533-R537 PolarHBondContact O-N 2.85Å; E533-R537 IonicContact OE1-NE 3.53Å |
| 534 | I | 95.7 | Very high | 94.1 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 170.8 | -67.2 | 165.5 | 0 | 0 | 0 | 110.3 | F487 L491 V496 L498 H530 A531 F532 R536 R537 F538 | F487-I534 HydrophobicContact CE2-CG2 4.08Å; F487-I534 HydrophobicContact CZ-CG2 4.05Å; L491-I534 HydrophobicContact CD2-CG2 4.26Å; V496-I534 HydrophobicContact CG1-CD1 3.9Å; V496-I534 HydrophobicContact CG1-CG1 4.37Å; V496-I534 HydrophobicContact CG1-CG2 3.88Å; L498-I534 HydrophobicContact CD2-CB 4.15Å; L498-I534 HydrophobicContact CD2-CD1 3.84Å; L498-I534 HydrophobicContact CD2-CG2 4.04Å; H530-I534 PolarHBondContact O-N 3.47Å; H530-I534 VanDerWaalsContact O-N 3.15Å; A531-I534 PolarHBondContact O-N 3.13Å; F532-I534 VanDerWaalsContact C-N 3.32Å; F532-I534 PolarHBondContact O-N 2.74Å; I534-R536 VanDerWaalsContact C-N 3.34Å; I534-R536 PolarHBondContact O-N 3.47Å; I534-R537 PolarHBondContact O-N 3.26Å; I534-F538 PolarHBondContact O-N 2.81Å; I534-F538 VanDerWaalsContact O-N 3.12Å |
| 535 | F | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 175.5 | 175.9 | -91.5 | 0 | 0 | 0 | 112.2 | T483 M484 F487 L503 V505 V507 A531 F532 R537 F538 Y539 L548 | T483-F535 HydrophobicContact CG2-CZ 4.49Å; M484-F535 HydrophobicContact CE-CD2 4.27Å; M484-F535 HydrophobicContact CE-CE2 4.33Å; M484-F535 HydrophobicContact SD-CE2 4.34Å; F487-F535 HydrophobicContact CB-CD2 4.48Å; F487-F535 HydrophobicContact CD1-CD2 4.12Å; F487-F535 AromaticContact CD2-CD2 3.99Å; F487-F535 HydrophobicContact CD2-CD2 3.99Å; F487-F535 HydrophobicContact CE1-CB 4.4Å; F487-F535 HydrophobicContact CE1-CD2 4.19Å; F487-F535 HydrophobicContact CE2-CB 4.08Å; F487-F535 HydrophobicContact CE2-CD2 4.15Å; F487-F535 AromaticContact CG-CD2 3.94Å; F487-F535 HydrophobicContact CG-CD2 3.94Å; F487-F535 HydrophobicContact CG-CE2 4.48Å; F487-F535 HydrophobicContact CZ-CB 3.85Å; F487-F535 HydrophobicContact CZ-CD2 4.2Å; L503-F535 HydrophobicContact CD2-CB 3.91Å; V505-F535 HydrophobicContact CB-CD1 4.08Å; V505-F535 HydrophobicContact CB-CD2 4.28Å; V505-F535 HydrophobicContact CB-CE1 3.78Å; V505-F535 HydrophobicContact CB-CE2 3.98Å; V505-F535 HydrophobicContact CB-CG 4.32Å; V505-F535 HydrophobicContact CB-CZ 3.72Å; V505-F535 HydrophobicContact CG1-CD1 3.96Å; V505-F535 HydrophobicContact CG1-CE1 3.47Å; V505-F535 VanDerWaalsContact CG1-CE1 3.47Å; V505-F535 HydrophobicContact CG1-CZ 3.8Å; V505-F535 HydrophobicContact CG2-CB 4.44Å; V505-F535 HydrophobicContact CG2-CD1 3.81Å; V505-F535 HydrophobicContact CG2-CD2 4.04Å; V505-F535 HydrophobicContact CG2-CE1 4.06Å; V505-F535 HydrophobicContact CG2-CE2 4.26Å; V505-F535 HydrophobicContact CG2-CG 3.8Å; V505-F535 HydrophobicContact CG2-CZ 4.27Å; V507-F535 HydrophobicContact CG2-CE1 4.01Å; V507-F535 HydrophobicContact CG2-CZ 3.87Å; A531-F535 PolarHBondContact O-N 3.46Å; F532-F535 HydrophobicContact CE2-CD1 4.36Å; F532-F535 WeakPolarHBondContact O-CB 3.2Å; F532-F535 PolarHBondContact O-N 2.63Å; F535-R537 VanDerWaalsContact C-N 3.33Å; F535-R537 PolarHBondContact O-N 2.87Å; F535-F538 HydrophobicContact CD2-CD1 4.5Å; F535-F538 HydrophobicContact CE2-CD1 4.48Å; F535-F538 WeakPolarHBondContact O-CB 3.48Å; F535-F538 PolarHBondContact O-N 3.18Å; F535-Y539 HydrophobicContact CE1-CD2 4.49Å; F535-Y539 HydrophobicContact CZ-CD2 4.21Å; F535-Y539 WeakPolarHBondContact O-CB 3.43Å; F535-Y539 PolarHBondContact O-N 2.94Å; F535-L548 HydrophobicContact CE1-CD1 4.46Å |
| 536 | R | 95 | Very high | 94 | Very high | 82 Ų | 82 | 71.1 Ų | 71.1 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 179.8 | -177.8 | -179.1 | -168.2 | 169.7 | 3.9 | 111.3 | F532 E533 I534 Y539 L540 L548 | F532-R536 WeakPolarHBondContact O-CB 3.1Å; F532-R536 PolarHBondContact O-N 3.26Å; E533-R536 PolarHBondContact O-N 2.64Å; E533-R536 WeakPolarHBondContact OE2-CD 3.36Å; E533-R536 IonicContact OE2-NH1 3.32Å; I534-R536 VanDerWaalsContact C-N 3.34Å; I534-R536 PolarHBondContact O-N 3.47Å; R536-Y539 PolarHBondContact O-N 3.45Å; R536-L540 HydrophobicContact CG-CD1 3.79Å; R536-L540 HydrophobicContact CG-CG 4.34Å; R536-L540 WeakPolarHBondContact O-CB 3.47Å; R536-L540 VanDerWaalsContact O-CG 3.28Å; R536-L540 WeakPolarHBondContact O-CG 3.47Å; R536-L540 PolarHBondContact O-N 3.39Å; R536-L548 HydrophobicContact CG-CD1 4.26Å |
| 537 | R | 94.6 | Very high | 94 | Very high | 173 Ų | 173 | 73.6 Ų | 73.6 | 65% | 0.653 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.1 | -46.2 | 177.5 | -70.7 | 173.4 | -174.5 | -171.9 | -1.2 | 111.7 | E533 I534 F535 Y539 L540 A541 | E533-R537 WeakPolarHBondContact O-CG 3.42Å; E533-R537 PolarHBondContact O-N 2.85Å; E533-R537 IonicContact OE1-NE 3.53Å; I534-R537 PolarHBondContact O-N 3.26Å; F535-R537 VanDerWaalsContact C-N 3.33Å; F535-R537 PolarHBondContact O-N 2.87Å; R537-Y539 PolarHBondContact O-N 2.88Å; R537-L540 PolarHBondContact O-N 3.36Å; R537-A541 WeakPolarHBondContact O-CB 3.48Å; R537-A541 PolarHBondContact O-N 3.47Å |
| 538 | F | 95.7 | Very high | 94 | Very high | 29 Ų | 29 | 72.6 Ų | 72.6 | 13% | 0.127 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -55.5 | -49.7 | 174.2 | 163.8 | -97.5 | 0 | 0 | 0 | 111.7 | T483 E486 F487 H490 I534 F535 A541 K542 | T483-F538 HydrophobicContact CG2-CE1 4.04Å; E486-F538 HydrophobicContact CB-CZ 4.01Å; F487-F538 HydrophobicContact CB-CD1 4.03Å; F487-F538 HydrophobicContact CB-CE1 3.67Å; F487-F538 HydrophobicContact CB-CZ 4.02Å; F487-F538 HydrophobicContact CD2-CB 3.84Å; F487-F538 AromaticContact CD2-CD1 3.49Å; F487-F538 HydrophobicContact CD2-CD1 3.49Å; F487-F538 VanDerWaalsContact CD2-CD1 3.49Å; F487-F538 HydrophobicContact CD2-CD2 4.12Å; F487-F538 HydrophobicContact CD2-CE1 4.03Å; F487-F538 AromaticContact CD2-CG 3.55Å; F487-F538 HydrophobicContact CD2-CG 3.55Å; F487-F538 HydrophobicContact CE2-CB 3.97Å; F487-F538 HydrophobicContact CE2-CD1 4.36Å; F487-F538 HydrophobicContact CE2-CG 4.19Å; F487-F538 HydrophobicContact CG-CD1 4.18Å; F487-F538 HydrophobicContact CG-CE1 4.33Å; H490-F538 HydrophobicContact CB-CD2 4.04Å; H490-F538 HydrophobicContact CB-CE2 3.85Å; H490-F538 AromaticContact CD2-CD2 3.78Å; H490-F538 AromaticContact CG-CD2 3.8Å; I534-F538 PolarHBondContact O-N 2.81Å; I534-F538 VanDerWaalsContact O-N 3.12Å; F535-F538 HydrophobicContact CD2-CD1 4.5Å; F535-F538 HydrophobicContact CE2-CD1 4.48Å; F535-F538 WeakPolarHBondContact O-CB 3.48Å; F535-F538 PolarHBondContact O-N 3.18Å; F538-A541 PolarHBondContact O-N 2.88Å; F538-K542 PolarHBondContact O-N 2.88Å |
| 539 | Y | 96.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 75.2 Ų | 75.2 | 4% | 0.039 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.7 | -46 | -177.3 | -173.4 | -89.4 | 0 | 0 | 0 | 112.3 | T483 V507 F535 R536 R537 A541 K542 H543 R546 L548 | T483-Y539 HydrophobicContact CG2-CD2 4Å; T483-Y539 HydrophobicContact CG2-CE2 4.29Å; V507-Y539 HydrophobicContact CB-CE2 4.18Å; V507-Y539 HydrophobicContact CG1-CE1 4.36Å; V507-Y539 HydrophobicContact CG1-CE2 3.98Å; V507-Y539 HydrophobicContact CG2-CD2 4.08Å; V507-Y539 HydrophobicContact CG2-CE2 3.84Å; F535-Y539 HydrophobicContact CE1-CD2 4.49Å; F535-Y539 HydrophobicContact CZ-CD2 4.21Å; F535-Y539 WeakPolarHBondContact O-CB 3.43Å; F535-Y539 PolarHBondContact O-N 2.94Å; R536-Y539 PolarHBondContact O-N 3.45Å; R537-Y539 PolarHBondContact O-N 2.88Å; Y539-A541 VanDerWaalsContact C-N 3.34Å; Y539-A541 PolarHBondContact O-N 2.91Å; Y539-K542 PolarHBondContact O-N 3.41Å; Y539-H543 HydrophobicContact CD1-CB 4.38Å; Y539-H543 AromaticContact CD2-CD2 3.77Å; Y539-H543 HydrophobicContact CE1-CB 3.96Å; Y539-H543 AromaticContact CE1-CD2 3.81Å; Y539-H543 AromaticContact CE2-CD2 3.42Å; Y539-H543 VanDerWaalsContact CE2-CD2 3.42Å; Y539-H543 WeakPolarHBondContact CE2-CD2 3.35Å; Y539-H543 AromaticContact CE2-NE2 3.85Å; Y539-H543 AromaticContact CZ-CD2 3.43Å; Y539-H543 VanDerWaalsContact CZ-CD2 3.43Å; Y539-H543 AromaticContact CZ-CG 3.99Å; Y539-H543 WeakPolarHBondContact O-CB 3.38Å; Y539-H543 PolarHBondContact O-CD2 3.21Å; Y539-H543 PolarHBondContact O-N 3.21Å; Y539-R546 PolarHBondContact OH-NH1 3.31Å; Y539-L548 HydrophobicContact CD1-CD1 3.69Å; Y539-L548 HydrophobicContact CD1-CD2 3.89Å; Y539-L548 HydrophobicContact CD1-CG 3.96Å; Y539-L548 HydrophobicContact CE1-CD1 4.43Å; Y539-L548 HydrophobicContact CE1-CD2 3.77Å; Y539-L548 HydrophobicContact CE1-CG 4.3Å; Y539-L548 HydrophobicContact CG-CD1 4.02Å |
| 540 | L | 95.7 | Very high | 93.6 | Very high | 56 Ų | 56 | 72 Ų | 72 | 29% | 0.293 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.5 | -27.5 | -177.7 | -67.4 | 178.2 | 0 | 0 | 0 | 113 | R536 R537 K542 H543 R546 L548 | R536-L540 HydrophobicContact CG-CD1 3.79Å; R536-L540 HydrophobicContact CG-CG 4.34Å; R536-L540 WeakPolarHBondContact O-CB 3.47Å; R536-L540 VanDerWaalsContact O-CG 3.28Å; R536-L540 WeakPolarHBondContact O-CG 3.47Å; R536-L540 PolarHBondContact O-N 3.39Å; R537-L540 PolarHBondContact O-N 3.36Å; L540-K542 VanDerWaalsContact C-N 3.3Å; L540-H543 CarbonylContact O-C 3.5Å; L540-R546 HydrophobicContact CD2-CB 4.46Å; L540-R546 WeakPolarHBondContact CD2-O 3.48Å; L540-L548 HydrophobicContact CD2-CG 4.49Å |
| 541 | A | 94 | Very high | 93.3 | Very high | 91 Ų | 91 | 68.9 Ų | 68.9 | 75% | 0.752 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.5 | -36 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R537 F538 Y539 | R537-A541 WeakPolarHBondContact O-CB 3.48Å; R537-A541 PolarHBondContact O-N 3.47Å; F538-A541 PolarHBondContact O-N 2.88Å; Y539-A541 VanDerWaalsContact C-N 3.34Å; Y539-A541 PolarHBondContact O-N 2.91Å |
| 542 | K | 93 | Very high | 92.9 | Very high | 110 Ų | 110 | 70.1 Ų | 70.1 | 48% | 0.478 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -84.8 | -26.9 | 178 | -166.5 | 171.8 | -179.8 | 171.2 | 0 | 113.4 | E486 F538 Y539 L540 | E486-K542 IonicContact OE1-NZ 2.76Å; E486-K542 PolarHBondContact OE1-NZ 3.38Å; E486-K542 IonicContact OE2-NZ 2.64Å; E486-K542 PolarHBondContact OE2-NZ 3.38Å; F538-K542 PolarHBondContact O-N 2.88Å; Y539-K542 PolarHBondContact O-N 3.41Å; L540-K542 VanDerWaalsContact C-N 3.3Å |
| 543 | H | 93.1 | Very high | 92.3 | Very high | 44 Ų | 44 | 71.4 Ų | 71.4 | 20% | 0.204 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -124.8 | 77.9 | -175.1 | -60.4 | -67.2 | 0 | 0 | 0 | 111.9 | Y539 L540 R546 | Y539-H543 HydrophobicContact CD1-CB 4.38Å; Y539-H543 AromaticContact CD2-CD2 3.77Å; Y539-H543 HydrophobicContact CE1-CB 3.96Å; Y539-H543 AromaticContact CE1-CD2 3.81Å; Y539-H543 AromaticContact CE2-CD2 3.42Å; Y539-H543 VanDerWaalsContact CE2-CD2 3.42Å; Y539-H543 WeakPolarHBondContact CE2-CD2 3.35Å; Y539-H543 AromaticContact CE2-NE2 3.85Å; Y539-H543 AromaticContact CZ-CD2 3.43Å; Y539-H543 VanDerWaalsContact CZ-CD2 3.43Å; Y539-H543 AromaticContact CZ-CG 3.99Å; Y539-H543 WeakPolarHBondContact O-CB 3.38Å; Y539-H543 PolarHBondContact O-CD2 3.21Å; Y539-H543 PolarHBondContact O-N 3.21Å; L540-H543 CarbonylContact O-C 3.5Å; H543-R546 HydrophobicContact CB-CG 4.15Å |
| 544 | S | 90.3 | Very high | 91.9 | Very high | 114 Ų | 114 | 71.5 Ų | 71.5 | 80% | 0.797 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 145.4 | 177.7 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | R546 | S544-R546 VanDerWaalsContact C-N 3.28Å; S544-R546 PolarHBondContact O-N 2.93Å |
| 545 | G | 91.2 | Very high | 91.5 | Very high | 91 Ų | 91 | 71.7 Ų | 71.7 | 94% | 0.938 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 2.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 546 | R | 93.5 | Very high | 91.3 | Very high | 143 Ų | 143 | 76.7 Ų | 76.7 | 54% | 0.54 | 42% | 0.421 | S | S | . | . | trans | -93.3 | 153.6 | 175.8 | -61.1 | -162.2 | -177.8 | -171.6 | -4.2 | 112.4 | Y539 L540 H543 S544 | Y539-R546 PolarHBondContact OH-NH1 3.31Å; L540-R546 HydrophobicContact CD2-CB 4.46Å; L540-R546 WeakPolarHBondContact CD2-O 3.48Å; H543-R546 HydrophobicContact CB-CG 4.15Å; S544-R546 VanDerWaalsContact C-N 3.28Å; S544-R546 PolarHBondContact O-N 2.93Å | ||
| 547 | Q | 91.1 | Very high | 91.2 | Very high | 163 Ų | 163 | 73.8 Ų | 73.8 | 76% | 0.762 | 42% | 0.415 | S | S | * | . | trans | -119.2 | 132.2 | 170.1 | -173.1 | 179.8 | 7.5 | 0 | 0 | 109.8 | ||||
| 548 | L | 91.6 | Very high | 91.3 | Very high | 28 Ų | 28 | 69.2 Ų | 69.2 | 15% | 0.147 | 40% | 0.403 | C | S | . | . | trans | -98.1 | 131.1 | 173.1 | -66.8 | -177.5 | 0 | 0 | 0 | 110.5 | V507 F535 R536 Y539 L540 | V507-L548 HydrophobicContact CG1-CD2 3.91Å; F535-L548 HydrophobicContact CE1-CD1 4.46Å; R536-L548 HydrophobicContact CG-CD1 4.26Å; Y539-L548 HydrophobicContact CD1-CD1 3.69Å; Y539-L548 HydrophobicContact CD1-CD2 3.89Å; Y539-L548 HydrophobicContact CD1-CG 3.96Å; Y539-L548 HydrophobicContact CE1-CD1 4.43Å; Y539-L548 HydrophobicContact CE1-CD2 3.77Å; Y539-L548 HydrophobicContact CE1-CG 4.3Å; Y539-L548 HydrophobicContact CG-CD1 4.02Å; L540-L548 HydrophobicContact CD2-CG 4.49Å | ||
| 549 | T | 89.6 | Confident | 91.3 | Very high | 86 Ų | 86 | 69.2 Ų | 69.2 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | trans | -121.9 | 119.2 | 172.4 | -58.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 550 | L | 89.3 | Confident | 91.2 | Very high | 60 Ų | 60 | 75.5 Ų | 75.5 | 31% | 0.314 | 44% | 0.439 | S | S | . | . | trans | -81.2 | 126.8 | -175.7 | -171.1 | 62.7 | 0 | 0 | 0 | 111.3 | T519 I524 F532 H552 | T519-L550 WeakPolarHBondContact CG2-O 3.35Å; I524-L550 HydrophobicContact CD1-CD2 3.26Å; F532-L550 HydrophobicContact CD1-CD2 4.19Å; F532-L550 HydrophobicContact CD2-CD1 4.22Å; F532-L550 HydrophobicContact CE1-CB 4.37Å; F532-L550 HydrophobicContact CE1-CD2 4.17Å; F532-L550 HydrophobicContact CE2-CD1 3.78Å; F532-L550 HydrophobicContact CG-CD2 4.38Å; F532-L550 HydrophobicContact CZ-CB 4.19Å; F532-L550 HydrophobicContact CZ-CD1 3.99Å; F532-L550 HydrophobicContact CZ-CD2 4.36Å; F532-L550 HydrophobicContact CZ-CG 4.43Å; L550-H552 PolarHBondContact O-N 3.07Å | ||
| 551 | Q | 88.8 | Confident | 91.1 | Very high | 44 Ų | 44 | 73.8 Ų | 73.8 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | trans | -96.4 | 84.9 | -179.2 | -66.1 | -61.8 | -26.2 | 0 | 0 | 111.5 | T519 H553 M554 | T519-Q551 PolarHBondContact OG1-NE2 3.43Å; Q551-H553 VanDerWaalsContact C-N 3.3Å; Q551-H553 PolarHBondContact O-N 2.95Å; Q551-H553 PolarHBondContact OE1-CE1 3.12Å; Q551-M554 HydrophobicContact CB-CB 4.32Å; Q551-M554 HydrophobicContact CB-CG 4.14Å; Q551-M554 HydrophobicContact CB-SD 3.78Å; Q551-M554 HydrophobicContact CG-SD 4.14Å; Q551-M554 PolarHBondContact O-N 3.49Å; Q551-M554 VanDerWaalsContact O-N 3.07Å | ||
| 552 | H | 88.3 | Confident | 91 | Very high | 26 Ų | 26 | 72 Ų | 72 | 12% | 0.12 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -52.8 | -43.1 | -174.3 | -56.3 | 105.2 | 0 | 0 | 0 | 113.8 | P520 C522 I524 L550 M554 G555 T596 F597 | P520-H552 PolarHBondContact O-ND1 2.8Å; C522-H552 HydrophobicContact CB-CB 4.01Å; I524-H552 WeakPolarHBondContact CD1-NE2 3.33Å; L550-H552 PolarHBondContact O-N 3.07Å; H552-M554 PolarHBondContact O-N 3.16Å; H552-M554 VanDerWaalsContact O-N 3.13Å; H552-G555 PolarHBondContact O-N 3.46Å; H552-T596 HydrophobicContact CB-CG2 4.37Å; H552-T596 WeakPolarHBondContact O-CB 3.28Å; H552-T596 PolarHBondContact O-OG1 3.25Å; H552-F597 HydrophobicContact CB-CE1 3.77Å; H552-F597 HydrophobicContact CB-CZ 4.3Å |
| 553 | H | 82.1 | Confident | 90.8 | Very high | 57 Ų | 57 | 67.1 Ų | 67.1 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -66.5 | -13.9 | -177 | 70.6 | -77.7 | 0 | 0 | 0 | 114.5 | P520 Q551 F597 | P520-H553 HydrophobicContact CG-CB 4.45Å; Q551-H553 VanDerWaalsContact C-N 3.3Å; Q551-H553 PolarHBondContact O-N 2.95Å; Q551-H553 PolarHBondContact OE1-CE1 3.12Å; H553-F597 HydrophobicContact CB-CE2 3.78Å; H553-F597 HydrophobicContact CB-CZ 3.83Å |
| 554 | M | 84.1 | Confident | 90.3 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 34% | 0.335 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -100.7 | -4.3 | -177.9 | -58.2 | 176.3 | 66.9 | 0 | 0 | 112.9 | L441 L508 Q551 H552 | L441-M554 HydrophobicContact CD1-CE 3.09Å; L441-M554 HydrophobicContact CG-CE 4.5Å; L508-M554 HydrophobicContact CD1-CE 4.35Å; Q551-M554 HydrophobicContact CB-CB 4.32Å; Q551-M554 HydrophobicContact CB-CG 4.14Å; Q551-M554 HydrophobicContact CB-SD 3.78Å; Q551-M554 HydrophobicContact CG-SD 4.14Å; Q551-M554 PolarHBondContact O-N 3.49Å; Q551-M554 VanDerWaalsContact O-N 3.07Å; H552-M554 PolarHBondContact O-N 3.16Å; H552-M554 VanDerWaalsContact O-N 3.13Å |
| 555 | G | 88.2 | Confident | 89.4 | Confident | 30 Ų | 30 | 63 Ų | 63 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | trans | -91 | 164 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | H552 T596 | H552-G555 PolarHBondContact O-N 3.46Å; G555-T596 VanDerWaalsContact CA-OG1 3.25Å; G555-T596 WeakPolarHBondContact CA-OG1 3.46Å; G555-T596 PolarHBondContact O-N 3.32Å; G555-T596 PolarHBondContact O-OG1 3.04Å | ||
| 556 | S | 91.2 | Very high | 88 | Confident | 105 Ų | 105 | 59.7 Ų | 59.7 | 73% | 0.734 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 157.8 | 173.4 | 58.2 | 0 | 0 | 0 | 0 | 110.4 | V594 | S556-V594 CarbonylContact C-O 3.47Å; S556-V594 WeakPolarHBondContact CA-O 3.29Å; S556-V594 WeakPolarHBondContact CB-O 3.38Å |
| 557 | A | 94.2 | Very high | 86.3 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L559 V594 M599 | A557-L559 HydrophobicContact CB-CD2 4.43Å; A557-V594 HydrophobicContact CB-CG2 4.36Å; A557-V594 PolarHBondContact N-O 3.47Å; A557-V594 WeakPolarHBondContact O-CG2 3.5Å; A557-V594 PolarHBondContact O-N 2.7Å; A557-M599 HydrophobicContact CB-CB 4.09Å; A557-M599 HydrophobicContact CB-CG 4.18Å; A557-M599 HydrophobicContact CB-SD 3.52Å; A557-M599 VanDerWaalsContact CB-SD 3.52Å |
| 558 | D | 95.5 | Very high | 84.4 | Confident | 77 Ų | 77 | 54.4 Ų | 54.4 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121 | 166.6 | -78.9 | -0.8 | 0 | 0 | 0 | 107.6 | I591 L592 Q593 R671 | D558-I591 HydrophobicContact CB-CG2 3.9Å; D558-L592 CarbonylContact C-O 3.58Å; D558-L592 WeakPolarHBondContact CA-O 3.3Å; D558-Q593 WeakPolarHBondContact OD1-CB 3.35Å; D558-Q593 WeakPolarHBondContact OD1-CG 3.46Å; D558-Q593 PolarHBondContact OD1-NE2 2.73Å; D558-Q593 PolarHBondContact OD2-NE2 2.8Å; D558-R671 IonicContact OD2-CZ 3.96Å; D558-R671 IonicContact OD2-NH1 2.77Å; D558-R671 PolarHBondContact OD2-NH1 2.93Å; D558-R671 IonicContact OD2-NH2 3.96Å |
| 559 | L | 95.7 | Very high | 82.5 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.3 | -178.8 | -59.5 | 179.3 | 0 | 0 | 0 | 111.3 | A557 A561 I591 L592 V594 M599 L602 | A557-L559 HydrophobicContact CB-CD2 4.43Å; L559-A561 PolarHBondContact O-N 3.35Å; L559-I591 CarbonylContact O-C 3.55Å; L559-I591 VanDerWaalsContact O-CA 3.29Å; L559-I591 WeakPolarHBondContact O-CA 3.44Å; L559-L592 HydrophobicContact CB-CB 4.43Å; L559-L592 PolarHBondContact N-O 3.17Å; L559-L592 PolarHBondContact O-N 2.81Å; L559-V594 HydrophobicContact CD1-CG2 3.82Å; L559-V594 HydrophobicContact CG-CG2 4.03Å; L559-M599 HydrophobicContact CD1-CB 4.15Å; L559-M599 HydrophobicContact CD1-CG 4.16Å; L559-M599 HydrophobicContact CD2-CG 3.94Å; L559-M599 HydrophobicContact CD2-SD 4.43Å; L559-M599 HydrophobicContact CG-CG 4.5Å; L559-L602 HydrophobicContact CD1-CB 4.21Å; L559-L602 HydrophobicContact CD1-CD1 4.03Å |
| 560 | N | 94.9 | Very high | 80.8 | Confident | 142 Ų | 142 | 64.6 Ų | 64.6 | 76% | 0.759 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 103.9 | 168.6 | -68 | -39.7 | 0 | 0 | 0 | 109 | ||
| 561 | A | 94.1 | Very high | 79.6 | Confident | 19 Ų | 19 | 67.4 Ų | 67.4 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | L559 F563 K589 H590 L592 | L559-A561 PolarHBondContact O-N 3.35Å; A561-F563 HydrophobicContact CB-CD2 4.47Å; A561-F563 HydrophobicContact CB-CE2 3.72Å; A561-F563 HydrophobicContact CB-CZ 4.14Å; A561-K589 WeakPolarHBondContact O-CA 3.4Å; A561-H590 PolarHBondContact N-O 3.23Å; A561-H590 PolarHBondContact O-N 3.47Å; A561-L592 HydrophobicContact CB-CD1 3.63Å; A561-L592 HydrophobicContact CB-CG 3.76Å |
| 562 | T | 91.7 | Very high | 78.1 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.3 | 171.6 | -56.5 | 0 | 0 | 0 | 0 | 108.2 | Y564 T587 R588 | T562-Y564 HydrophobicContact CG2-CD1 4.46Å; T562-Y564 HydrophobicContact CG2-CE1 3.93Å; T562-Y564 HydrophobicContact CG2-CE2 4.18Å; T562-T587 HydrophobicContact CG2-CG2 4.43Å; T562-R588 WeakPolarHBondContact CA-O 3.45Å |
| 563 | F | 89.3 | Confident | 76.5 | Confident | 7 Ų | 7 | 69.7 Ų | 69.7 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.3 | 174.5 | -60.1 | -89.4 | 0 | 0 | 0 | 108.3 | A561 T587 R588 H590 L592 V643 V661 N662 F665 | A561-F563 HydrophobicContact CB-CD2 4.47Å; A561-F563 HydrophobicContact CB-CE2 3.72Å; A561-F563 HydrophobicContact CB-CZ 4.14Å; F563-T587 WeakPolarHBondContact O-CA 3.48Å; F563-R588 PolarHBondContact N-O 3.12Å; F563-R588 PolarHBondContact O-N 3.47Å; F563-H590 HydrophobicContact CE2-CB 4.5Å; F563-L592 HydrophobicContact CZ-CD1 4.48Å; F563-V643 HydrophobicContact CZ-CB 4.43Å; F563-V643 HydrophobicContact CZ-CG1 4.18Å; F563-V661 HydrophobicContact CD1-CG1 4.2Å; F563-V661 HydrophobicContact CE1-CG1 4.22Å; F563-N662 WeakPolarHBondContact CD1-O 3.43Å; F563-F665 HydrophobicContact CD1-CB 4.07Å; F563-F665 HydrophobicContact CD2-CD1 4.13Å; F563-F665 HydrophobicContact CE1-CB 3.89Å; F563-F665 HydrophobicContact CE1-CD1 4.19Å; F563-F665 HydrophobicContact CE1-CG 4.28Å; F563-F665 AromaticContact CE2-CD1 3.6Å; F563-F665 HydrophobicContact CE2-CD1 3.6Å; F563-F665 HydrophobicContact CE2-CE1 4.2Å; F563-F665 HydrophobicContact CE2-CG 4.46Å; F563-F665 HydrophobicContact CZ-CB 4.21Å; F563-F665 AromaticContact CZ-CD1 3.63Å; F563-F665 HydrophobicContact CZ-CD1 3.63Å; F563-F665 HydrophobicContact CZ-CE1 4.34Å; F563-F665 HydrophobicContact CZ-CG 4.1Å |
| 564 | Y | 82.5 | Confident | 75.1 | Confident | 72 Ų | 72 | 73.1 Ų | 73.1 | 28% | 0.282 | 41% | 0.406 | S | S | . | . | trans | -95 | -9.3 | -167.4 | -68.1 | -83.2 | 0 | 0 | 0 | 113.5 | T562 G578 A580 T587 D663 | T562-Y564 HydrophobicContact CG2-CD1 4.46Å; T562-Y564 HydrophobicContact CG2-CE1 3.93Å; T562-Y564 HydrophobicContact CG2-CE2 4.18Å; Y564-G578 WeakPolarHBondContact CB-O 3.31Å; Y564-A580 HydrophobicContact CE2-CB 4.47Å; Y564-T587 HydrophobicContact CD1-CG2 3.67Å; Y564-T587 HydrophobicContact CE1-CG2 4.12Å; Y564-D663 PolarHBondContact N-OD1 2.96Å | ||
| 565 | G | 70.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 41% | 0.412 | C | S | . | . | trans | 59.9 | 177 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G578 | G565-G578 PolarHBondContact O-N 3.47Š| ||
| 566 | P | 62.4 | Low | 71.9 | Confident | 22 Ų | 22 | 74.4 Ų | 74.4 | 14% | 0.143 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.9 | 173 | 27.2 | -30.7 | 0 | 0 | 0 | 111 | K568 E574 N586 | P566-K568 PolarHBondContact O-N 3.26Å; P566-E574 HydrophobicContact CB-CG 4.5Å; P566-N586 PolarHBondContact O-ND2 2.87Å |
| 567 | V | 57.1 | Low | 70.1 | Confident | 49 Ų | 49 | 73.6 Ų | 73.6 | 30% | 0.297 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 116.7 | 171.2 | -176.2 | 0 | 0 | 0 | 0 | 108 | V575 G576 G578 V582 | V567-V575 PolarHBondContact O-N 3.48Å; V567-G576 PolarHBondContact N-O 3.01Å; V567-G578 VanDerWaalsContact CG2-CA 3.46Å; V567-V582 HydrophobicContact CG2-CG1 4.41Å |
| 568 | K | 52.5 | Low | 68.3 | Low | 146 Ų | 146 | 72.9 Ų | 72.9 | 64% | 0.635 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122.1 | 170.5 | -69.5 | -173 | 174.9 | -173.8 | 0 | 109 | P566 | P566-K568 PolarHBondContact O-N 3.26Å |
| 569 | K | 51.3 | Low | 66.4 | Low | 115 Ų | 115 | 70.8 Ų | 70.8 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 161 | 166.1 | -74.7 | -170.9 | 179.3 | 179.1 | 0 | 110.6 | D571 G572 S573 V575 | K569-D571 PolarHBondContact O-N 3.46Å; K569-D571 VanDerWaalsContact O-N 3.08Å; K569-G572 PolarHBondContact O-N 3.36Å; K569-S573 PolarHBondContact N-O 3Å; K569-V575 HydrophobicContact CD-CB 4.33Å; K569-V575 HydrophobicContact CD-CG2 3.72Å; K569-V575 HydrophobicContact CG-CG2 4.24Å |
| 570 | E | 54.5 | Low | 64.5 | Low | 213 Ų | 213 | 73 Ų | 73 | 100% | 0.995 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -15.3 | -178.9 | -71.8 | -177.2 | 155.7 | 0 | 0 | 114.2 | ||
| 571 | D | 63 | Low | 62.6 | Low | 119 Ų | 119 | 75.3 Ų | 75.3 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1.9 | 175.8 | 66.3 | 7.5 | 0 | 0 | 0 | 114.5 | K569 S573 | K569-D571 PolarHBondContact O-N 3.46Å; K569-D571 VanDerWaalsContact O-N 3.08Å; D571-S573 VanDerWaalsContact C-N 3.29Å; D571-S573 VanDerWaalsContact CG-OG 3.26Å; D571-S573 PolarHBondContact O-N 3.3Å; D571-S573 WeakPolarHBondContact OD1-CB 3.3Å; D571-S573 PolarHBondContact OD1-N 3.35Å; D571-S573 PolarHBondContact OD1-OG 3.42Å; D571-S573 PolarHBondContact OD2-OG 3.18Å |
| 572 | G | 57.4 | Low | 60.6 | Low | 66 Ų | 66 | 77.7 Ų | 77.7 | 68% | 0.68 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 79.8 | 1.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | K569 | K569-G572 PolarHBondContact O-N 3.36Š|
| 573 | S | 54.6 | Low | 58.4 | Low | 52 Ų | 52 | 81.9 Ų | 81.9 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | trans | -86.1 | 135.3 | 174.4 | 69.1 | 0 | 0 | 0 | 0 | 111.9 | K569 D571 | K569-S573 PolarHBondContact N-O 3Å; D571-S573 VanDerWaalsContact C-N 3.29Å; D571-S573 VanDerWaalsContact CG-OG 3.26Å; D571-S573 PolarHBondContact O-N 3.3Å; D571-S573 WeakPolarHBondContact OD1-CB 3.3Å; D571-S573 PolarHBondContact OD1-N 3.35Å; D571-S573 PolarHBondContact OD1-OG 3.42Å; D571-S573 PolarHBondContact OD2-OG 3.18Å | ||
| 574 | E | 53.2 | Low | 56.7 | Low | 128 Ų | 128 | 83.4 Ų | 83.4 | 60% | 0.598 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 117 | 175.6 | -67.8 | -171.3 | 162.6 | 0 | 0 | 109.5 | P566 | P566-E574 HydrophobicContact CB-CG 4.5Å |
| 575 | V | 47.8 | Very low | 55.5 | Low | 76 Ų | 76 | 86 Ų | 86 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 80.9 | 175.2 | -165.4 | 0 | 0 | 0 | 0 | 108.9 | V567 K569 | V567-V575 PolarHBondContact O-N 3.48Å; K569-V575 HydrophobicContact CD-CB 4.33Å; K569-V575 HydrophobicContact CD-CG2 3.72Å; K569-V575 HydrophobicContact CG-CG2 4.24Å |
| 576 | G | 56.6 | Low | 55.3 | Low | 49 Ų | 49 | 88.7 Ų | 88.7 | 51% | 0.505 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.3 | 171.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | V567 | V567-G576 PolarHBondContact N-O 3.01Å |
| 577 | V | 54 | Low | 56 | Low | 88 Ų | 88 | 90.4 Ų | 90.4 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 135.1 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | D663 | V577-D663 HydrophobicContact CG1-CB 3.34Å; V577-D663 VanDerWaalsContact CG1-OD2 3.26Å; V577-D663 WeakPolarHBondContact CG1-OD2 3.44Å |
| 578 | G | 55.7 | Low | 57.3 | Low | 6 Ų | 6 | 91.5 Ų | 91.5 | 6% | 0.062 | 54% | 0.54 | C | S | . | . | trans | -65.3 | 134 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y564 G565 V567 | Y564-G578 WeakPolarHBondContact CB-O 3.31Å; G565-G578 PolarHBondContact O-N 3.47Å; V567-G578 VanDerWaalsContact CG2-CA 3.46Å | ||
| 579 | G | 56.8 | Low | 59.1 | Low | 33 Ų | 33 | 91.4 Ų | 91.4 | 34% | 0.34 | 54% | 0.54 | S | S | . | . | trans | -85.5 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q581 V582 | G579-Q581 PolarHBondContact O-N 3.16Å; G579-V582 PolarHBondContact O-N 2.87Å | ||
| 580 | A | 55.5 | Low | 61.2 | Low | 76 Ų | 76 | 86.9 Ų | 86.9 | 63% | 0.628 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -18.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y564 | Y564-A580 HydrophobicContact CE2-CB 4.47Š|
| 581 | Q | 53.7 | Low | 63.1 | Low | 192 Ų | 192 | 77.8 Ų | 77.8 | 90% | 0.897 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.6 | 178.1 | -64.8 | -176.4 | -13.2 | 0 | 0 | 114 | G579 T583 | G579-Q581 PolarHBondContact O-N 3.16Å; Q581-T583 PolarHBondContact O-N 2.78Å |
| 582 | V | 52.7 | Low | 64.7 | Low | 68 Ų | 68 | 72.3 Ų | 72.3 | 41% | 0.412 | 45% | 0.449 | S | S | . | . | trans | -96.6 | 94.5 | -178.7 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | V567 G579 G584 | V567-V582 HydrophobicContact CG2-CG1 4.41Å; G579-V582 PolarHBondContact O-N 2.87Å; V582-G584 PolarHBondContact O-N 2.85Å | ||
| 583 | T | 46.6 | Very low | 66.4 | Low | 142 Ų | 142 | 72 Ų | 72 | 87% | 0.871 | 43% | 0.43 | S | S | * | . | trans | -86 | 92.1 | 172.4 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | Q581 | Q581-T583 PolarHBondContact O-N 2.78Š| ||
| 584 | G | 53.6 | Low | 68.4 | Low | 39 Ų | 39 | 69.8 Ų | 69.8 | 40% | 0.402 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -152.8 | 165.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V582 N586 T587 | V582-G584 PolarHBondContact O-N 2.85Å; G584-N586 PolarHBondContact O-N 3.14Å; G584-T587 PolarHBondContact O-N 2.84Å; G584-T587 PolarHBondContact O-OG1 3.43Å |
| 585 | S | 57.1 | Low | 70.2 | Confident | 127 Ų | 127 | 64.8 Ų | 64.8 | 89% | 0.888 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.3 | -14.1 | -164.6 | -171 | 0 | 0 | 0 | 0 | 119.2 | ||
| 586 | N | 66.4 | Low | 72.4 | Confident | 57 Ų | 57 | 62 Ų | 62 | 31% | 0.305 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 6.6 | -174.2 | -79.2 | -12.1 | 0 | 0 | 0 | 115.6 | P566 G584 R588 | P566-N586 PolarHBondContact O-ND2 2.87Å; G584-N586 PolarHBondContact O-N 3.14Å; N586-R588 PolarHBondContact O-N 3.35Å |
| 587 | T | 76.2 | Confident | 74.1 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 36% | 0.356 | 35% | 0.354 | S | S | . | . | trans | -68 | 127 | 178.1 | 41.8 | 0 | 0 | 0 | 0 | 112 | T562 F563 Y564 G584 | T562-T587 HydrophobicContact CG2-CG2 4.43Å; F563-T587 WeakPolarHBondContact O-CA 3.48Å; Y564-T587 HydrophobicContact CD1-CG2 3.67Å; Y564-T587 HydrophobicContact CE1-CG2 4.12Å; G584-T587 PolarHBondContact O-N 2.84Å; G584-T587 PolarHBondContact O-OG1 3.43Å | ||
| 588 | R | 84.4 | Confident | 76.1 | Confident | 72 Ų | 72 | 56 Ų | 56 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.7 | -180 | -59.8 | 171.1 | -149.8 | 157.2 | 3 | 109.6 | T562 F563 N586 F665 | T562-R588 WeakPolarHBondContact CA-O 3.45Å; F563-R588 PolarHBondContact N-O 3.12Å; F563-R588 PolarHBondContact O-N 3.47Å; N586-R588 PolarHBondContact O-N 3.35Å; R588-F665 PolarHBondContact NH1-O 2.94Å; R588-F665 VanDerWaalsContact NH1-O 3.07Å |
| 589 | K | 90.6 | Very high | 78 | Confident | 144 Ų | 144 | 56.6 Ų | 56.6 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.2 | 179.9 | -63.6 | -176.4 | -179.4 | -179.3 | 0 | 110.3 | A561 | A561-K589 WeakPolarHBondContact O-CA 3.4Å |
| 590 | H | 94 | Very high | 79.9 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 9% | 0.088 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.7 | 175.2 | -69.5 | -71 | 0 | 0 | 0 | 110 | A561 F563 L592 F665 L669 H670 V672 | A561-H590 PolarHBondContact N-O 3.23Å; A561-H590 PolarHBondContact O-N 3.47Å; F563-H590 HydrophobicContact CE2-CB 4.5Å; H590-L592 HydrophobicContact CB-CD2 4.29Å; H590-F665 AromaticContact CD2-CE1 3.85Å; H590-L669 PolarHBondContact ND1-O 3.44Å; H590-H670 WeakPolarHBondContact CA-O 3.3Å; H590-H670 PolarHBondContact ND1-O 3.26Å; H590-V672 HydrophobicContact CB-CG2 4.44Å |
| 591 | I | 95.6 | Very high | 81.9 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.8 | 165.8 | -60.3 | 176 | 0 | 0 | 0 | 107.3 | D558 L559 H670 R671 V672 | D558-I591 HydrophobicContact CB-CG2 3.9Å; L559-I591 CarbonylContact O-C 3.55Å; L559-I591 VanDerWaalsContact O-CA 3.29Å; L559-I591 WeakPolarHBondContact O-CA 3.44Å; I591-H670 PolarHBondContact N-O 3.27Å; I591-R671 HydrophobicContact CB-CG 3.92Å; I591-R671 HydrophobicContact CD1-CG 4.11Å; I591-R671 HydrophobicContact CG1-CG 4.48Å; I591-R671 HydrophobicContact CG2-CG 4.3Å; I591-R671 CarbonylContact O-C 3.57Å; I591-R671 WeakPolarHBondContact O-CA 3.36Å; I591-V672 PolarHBondContact O-N 3.04Å |
| 592 | L | 96.1 | Very high | 83.9 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116.7 | 177.9 | -55 | -179.1 | 0 | 0 | 0 | 109.7 | D558 L559 A561 F563 H590 V594 L602 V643 V672 | D558-L592 CarbonylContact C-O 3.58Å; D558-L592 WeakPolarHBondContact CA-O 3.3Å; L559-L592 HydrophobicContact CB-CB 4.43Å; L559-L592 PolarHBondContact N-O 3.17Å; L559-L592 PolarHBondContact O-N 2.81Å; A561-L592 HydrophobicContact CB-CD1 3.63Å; A561-L592 HydrophobicContact CB-CG 3.76Å; F563-L592 HydrophobicContact CZ-CD1 4.48Å; H590-L592 HydrophobicContact CB-CD2 4.29Å; L592-V594 HydrophobicContact CB-CG1 4.04Å; L592-L602 HydrophobicContact CD1-CD1 4.18Å; L592-V643 HydrophobicContact CD1-CG1 3.99Å; L592-V643 HydrophobicContact CD2-CG1 4.11Å; L592-V672 CarbonylContact C-O 3.55Å; L592-V672 WeakPolarHBondContact CA-O 3.36Å; L592-V672 HydrophobicContact CD2-CB 4.07Å |
| 593 | Q | 94.3 | Very high | 85.9 | Confident | 59 Ų | 59 | 43.6 Ų | 43.6 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 113.7 | 170.4 | -42.3 | -161.8 | -73 | 0 | 0 | 108.7 | D558 V672 K673 I674 | D558-Q593 WeakPolarHBondContact OD1-CB 3.35Å; D558-Q593 WeakPolarHBondContact OD1-CG 3.46Å; D558-Q593 PolarHBondContact OD1-NE2 2.73Å; D558-Q593 PolarHBondContact OD2-NE2 2.8Å; Q593-V672 PolarHBondContact N-O 3.38Å; Q593-K673 HydrophobicContact CB-CB 4.42Å; Q593-K673 HydrophobicContact CB-CG 4.4Å; Q593-I674 PolarHBondContact O-N 3.08Å |
| 594 | V | 94.6 | Very high | 88.3 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 160.1 | -169.2 | -65.9 | 0 | 0 | 0 | 0 | 111.3 | S556 A557 L559 L592 Q598 M599 L602 I674 | S556-V594 CarbonylContact C-O 3.47Å; S556-V594 WeakPolarHBondContact CA-O 3.29Å; S556-V594 WeakPolarHBondContact CB-O 3.38Å; A557-V594 HydrophobicContact CB-CG2 4.36Å; A557-V594 PolarHBondContact N-O 3.47Å; A557-V594 WeakPolarHBondContact O-CG2 3.5Å; A557-V594 PolarHBondContact O-N 2.7Å; L559-V594 HydrophobicContact CD1-CG2 3.82Å; L559-V594 HydrophobicContact CG-CG2 4.03Å; L592-V594 HydrophobicContact CB-CG1 4.04Å; V594-Q598 HydrophobicContact CB-CB 3.77Å; V594-Q598 HydrophobicContact CG1-CB 4.27Å; V594-Q598 HydrophobicContact CG2-CB 4.47Å; V594-M599 HydrophobicContact CG2-CB 3.96Å; V594-L602 HydrophobicContact CG1-CD1 4.04Å; V594-I674 HydrophobicContact CG1-CB 4.03Å; V594-I674 HydrophobicContact CG1-CG1 3.8Å |
| 595 | S | 92.4 | Very high | 90.3 | Very high | 24 Ų | 24 | 37 Ų | 37 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 162.4 | 165.7 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | F597 Q598 M599 | S595-F597 VanDerWaalsContact C-N 3.3Å; S595-F597 PolarHBondContact O-N 3.49Å; S595-Q598 PolarHBondContact O-N 2.73Å; S595-Q598 WeakPolarHBondContact OG-CB 3.19Å; S595-Q598 VanDerWaalsContact OG-CD 3.23Å; S595-Q598 VanDerWaalsContact OG-CG 3.25Å; S595-Q598 WeakPolarHBondContact OG-CG 3.29Å; S595-Q598 PolarHBondContact OG-N 3.14Å; S595-Q598 PolarHBondContact OG-OE1 3.29Å; S595-M599 PolarHBondContact O-N 2.96Å |
| 596 | T | 92.8 | Very high | 92 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 10% | 0.104 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.9 | -41.4 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | H552 G555 Q598 M599 T600 | H552-T596 HydrophobicContact CB-CG2 4.37Å; H552-T596 WeakPolarHBondContact O-CB 3.28Å; H552-T596 PolarHBondContact O-OG1 3.25Å; G555-T596 VanDerWaalsContact CA-OG1 3.25Å; G555-T596 WeakPolarHBondContact CA-OG1 3.46Å; G555-T596 PolarHBondContact O-N 3.32Å; G555-T596 PolarHBondContact O-OG1 3.04Å; T596-Q598 PolarHBondContact O-N 2.8Å; T596-M599 HydrophobicContact CG2-CE 4.11Å; T596-M599 WeakPolarHBondContact O-CB 3.45Å; T596-M599 PolarHBondContact O-N 3.3Å; T596-T600 PolarHBondContact O-N 3.01Å; T596-T600 PolarHBondContact O-OG1 3Å |
| 597 | F | 94.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 4% | 0.044 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 177 | -65 | -34.2 | 0 | 0 | 0 | 112.2 | P520 C522 H552 H553 S595 M599 T600 I601 I622 E626 A630 | P520-F597 HydrophobicContact CB-CE1 4.46Å; P520-F597 HydrophobicContact CB-CZ 3.86Å; P520-F597 HydrophobicContact CG-CZ 4.34Å; C522-F597 HydrophobicContact CB-CD1 4.44Å; C522-F597 HydrophobicContact CB-CE1 4.1Å; H552-F597 HydrophobicContact CB-CE1 3.77Å; H552-F597 HydrophobicContact CB-CZ 4.3Å; H553-F597 HydrophobicContact CB-CE2 3.78Å; H553-F597 HydrophobicContact CB-CZ 3.83Å; S595-F597 VanDerWaalsContact C-N 3.3Å; S595-F597 PolarHBondContact O-N 3.49Å; F597-M599 VanDerWaalsContact C-N 3.33Å; F597-M599 PolarHBondContact O-N 3.3Å; F597-T600 PolarHBondContact O-N 3.03Å; F597-I601 WeakPolarHBondContact O-CD1 3.5Å; F597-I601 VanDerWaalsContact O-CG1 3.27Å; F597-I601 WeakPolarHBondContact O-CG1 3.35Å; F597-I601 PolarHBondContact O-N 2.9Å; F597-I622 HydrophobicContact CB-CD1 3.96Å; F597-I622 HydrophobicContact CD1-CD1 3.93Å; F597-I622 HydrophobicContact CD1-CG1 3.89Å; F597-I622 HydrophobicContact CD1-CG2 4.14Å; F597-I622 HydrophobicContact CE1-CG1 4.4Å; F597-I622 HydrophobicContact CE1-CG2 4.4Å; F597-I622 HydrophobicContact CG-CD1 4.24Å; F597-I622 HydrophobicContact CG-CG2 4.25Å; F597-E626 HydrophobicContact CD2-CB 4.04Å; F597-E626 HydrophobicContact CE2-CB 3.76Å; F597-E626 HydrophobicContact CE2-CG 3.99Å; F597-E626 HydrophobicContact CZ-CB 4.49Å; F597-A630 HydrophobicContact CB-CB 4.27Å |
| 598 | Q | 95.3 | Very high | 94 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 175.3 | -73.2 | 166.7 | -28.6 | 0 | 0 | 111.9 | V594 S595 T596 I601 L602 A630 S633 L634 | V594-Q598 HydrophobicContact CB-CB 3.77Å; V594-Q598 HydrophobicContact CG1-CB 4.27Å; V594-Q598 HydrophobicContact CG2-CB 4.47Å; S595-Q598 PolarHBondContact O-N 2.73Å; S595-Q598 WeakPolarHBondContact OG-CB 3.19Å; S595-Q598 VanDerWaalsContact OG-CD 3.23Å; S595-Q598 VanDerWaalsContact OG-CG 3.25Å; S595-Q598 WeakPolarHBondContact OG-CG 3.29Å; S595-Q598 PolarHBondContact OG-N 3.14Å; S595-Q598 PolarHBondContact OG-OE1 3.29Å; T596-Q598 PolarHBondContact O-N 2.8Å; Q598-I601 PolarHBondContact O-N 3.47Å; Q598-L602 WeakPolarHBondContact O-CB 3.25Å; Q598-L602 VanDerWaalsContact O-CG 3.24Å; Q598-L602 WeakPolarHBondContact O-CG 3.39Å; Q598-L602 PolarHBondContact O-N 2.89Å; Q598-A630 HydrophobicContact CG-CB 4.07Å; Q598-S633 VanDerWaalsContact NE2-CB 3.29Å; Q598-L634 HydrophobicContact CB-CD1 4.24Å; Q598-L634 HydrophobicContact CB-CD2 4.27Å; Q598-L634 HydrophobicContact CG-CD1 4.04Å; Q598-L634 HydrophobicContact CG-CD2 4.14Å; Q598-L634 HydrophobicContact CG-CG 4.06Å |
| 599 | M | 96.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -49.7 | 172.6 | 168.3 | -169.6 | 77.1 | 0 | 0 | 111.4 | P528 A557 L559 V594 S595 T596 F597 I601 L602 M603 | P528-M599 HydrophobicContact CG-CE 4.21Å; P528-M599 HydrophobicContact CG-SD 4.39Å; A557-M599 HydrophobicContact CB-CB 4.09Å; A557-M599 HydrophobicContact CB-CG 4.18Å; A557-M599 HydrophobicContact CB-SD 3.52Å; A557-M599 VanDerWaalsContact CB-SD 3.52Å; L559-M599 HydrophobicContact CD1-CB 4.15Å; L559-M599 HydrophobicContact CD1-CG 4.16Å; L559-M599 HydrophobicContact CD2-CG 3.94Å; L559-M599 HydrophobicContact CD2-SD 4.43Å; L559-M599 HydrophobicContact CG-CG 4.5Å; V594-M599 HydrophobicContact CG2-CB 3.96Å; S595-M599 PolarHBondContact O-N 2.96Å; T596-M599 HydrophobicContact CG2-CE 4.11Å; T596-M599 WeakPolarHBondContact O-CB 3.45Å; T596-M599 PolarHBondContact O-N 3.3Å; F597-M599 VanDerWaalsContact C-N 3.33Å; F597-M599 PolarHBondContact O-N 3.3Å; M599-I601 VanDerWaalsContact C-N 3.27Å; M599-I601 PolarHBondContact O-N 2.76Å; M599-L602 PolarHBondContact O-N 3Å; M599-M603 HydrophobicContact CG-CG 4.18Å; M599-M603 WeakPolarHBondContact O-CB 3.43Å; M599-M603 VanDerWaalsContact O-CG 3.24Å; M599-M603 WeakPolarHBondContact O-CG 3.25Å; M599-M603 PolarHBondContact O-N 3.46Å |
| 600 | T | 96.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.1 | -42.7 | -178.9 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | C522 N523 T596 F597 T620 | C522-T600 PolarHBondContact SG-OG1 3.4Å; C522-T600 VanDerWaalsContact SG-OG1 3.35Å; N523-T600 VanDerWaalsContact O-CG2 3.25Å; N523-T600 WeakPolarHBondContact O-CG2 3.48Å; T596-T600 PolarHBondContact O-N 3.01Å; T596-T600 PolarHBondContact O-OG1 3Å; F597-T600 PolarHBondContact O-N 3.03Å; T600-T620 HydrophobicContact CG2-CG2 3.71Å |
| 601 | I | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.8 | -51.5 | 176 | -64.7 | 161.5 | 0 | 0 | 0 | 111.1 | F597 Q598 M599 M603 L604 F605 I616 T620 I622 L627 A630 L631 L634 L644 | F597-I601 WeakPolarHBondContact O-CD1 3.5Å; F597-I601 VanDerWaalsContact O-CG1 3.27Å; F597-I601 WeakPolarHBondContact O-CG1 3.35Å; F597-I601 PolarHBondContact O-N 2.9Å; Q598-I601 PolarHBondContact O-N 3.47Å; M599-I601 VanDerWaalsContact C-N 3.27Å; M599-I601 PolarHBondContact O-N 2.76Å; I601-M603 VanDerWaalsContact C-N 3.26Å; I601-M603 PolarHBondContact O-N 2.61Å; I601-L604 WeakPolarHBondContact O-CB 3.48Å; I601-L604 PolarHBondContact O-N 3.33Å; I601-F605 HydrophobicContact CG2-CE2 4.3Å; I601-F605 WeakPolarHBondContact O-CD2 3.28Å; I601-I616 HydrophobicContact CG1-CG2 3.96Å; I601-I616 HydrophobicContact CG2-CG2 4.23Å; I601-T620 HydrophobicContact CG1-CG2 4.44Å; I601-I622 HydrophobicContact CD1-CD1 4.33Å; I601-I622 HydrophobicContact CG1-CD1 4.07Å; I601-L627 HydrophobicContact CD1-CD1 3.67Å; I601-L627 HydrophobicContact CG1-CD1 4.07Å; I601-A630 HydrophobicContact CD1-CB 3.55Å; I601-L631 HydrophobicContact CD1-CD2 4.3Å; I601-L631 HydrophobicContact CD1-CG 4.26Å; I601-L631 HydrophobicContact CG2-CD2 3.82Å; I601-L634 HydrophobicContact CB-CD1 4.32Å; I601-L634 HydrophobicContact CD1-CD1 4.32Å; I601-L634 HydrophobicContact CG2-CD1 4.03Å; I601-L644 HydrophobicContact CG2-CD1 4.31Å |
| 602 | L | 96.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -33.7 | -176 | -73.1 | 172.2 | 0 | 0 | 0 | 112.6 | L559 L592 V594 Q598 M599 L604 F605 L634 V643 L644 | L559-L602 HydrophobicContact CD1-CB 4.21Å; L559-L602 HydrophobicContact CD1-CD1 4.03Å; L592-L602 HydrophobicContact CD1-CD1 4.18Å; V594-L602 HydrophobicContact CG1-CD1 4.04Å; Q598-L602 WeakPolarHBondContact O-CB 3.25Å; Q598-L602 VanDerWaalsContact O-CG 3.24Å; Q598-L602 WeakPolarHBondContact O-CG 3.39Å; Q598-L602 PolarHBondContact O-N 2.89Å; M599-L602 PolarHBondContact O-N 3Å; L602-L604 PolarHBondContact O-N 3.42Å; L602-F605 PolarHBondContact O-N 2.83Å; L602-L634 HydrophobicContact CD1-CD2 4.02Å; L602-L634 HydrophobicContact CD2-CD2 4.24Å; L602-L634 HydrophobicContact CG-CD1 4.4Å; L602-L634 HydrophobicContact CG-CD2 4.22Å; L602-V643 HydrophobicContact CD2-CG2 3.92Å; L602-L644 HydrophobicContact CD2-CD2 4.15Å; L602-L644 HydrophobicContact CD2-CG 4.29Å |
| 603 | M | 95.1 | Very high | 94.7 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.5 | -21.3 | 179.8 | -73.2 | -64 | -63.9 | 0 | 0 | 113.6 | P525 M599 I601 F605 N606 | P525-M603 HydrophobicContact CB-CB 4.34Å; P525-M603 HydrophobicContact CB-CG 4.4Å; P525-M603 HydrophobicContact CG-CB 3.79Å; P525-M603 HydrophobicContact CG-CG 3.9Å; M599-M603 HydrophobicContact CG-CG 4.18Å; M599-M603 WeakPolarHBondContact O-CB 3.43Å; M599-M603 VanDerWaalsContact O-CG 3.24Å; M599-M603 WeakPolarHBondContact O-CG 3.25Å; M599-M603 PolarHBondContact O-N 3.46Å; I601-M603 VanDerWaalsContact C-N 3.26Å; I601-M603 PolarHBondContact O-N 2.61Å; M603-F605 VanDerWaalsContact C-N 3.26Å; M603-F605 PolarHBondContact O-N 2.96Å; M603-N606 PolarHBondContact O-N 3.35Å; M603-N606 PolarHBondContact O-ND2 3.13Å |
| 604 | L | 96 | Very high | 94.8 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -32.8 | 174.9 | -64.5 | -177 | 0 | 0 | 0 | 112.5 | I601 L602 N606 N607 Y611 I616 E619 T620 | I601-L604 WeakPolarHBondContact O-CB 3.48Å; I601-L604 PolarHBondContact O-N 3.33Å; L602-L604 PolarHBondContact O-N 3.42Å; L604-N606 PolarHBondContact O-N 2.85Å; L604-N606 VanDerWaalsContact O-N 3.17Å; L604-N607 PolarHBondContact O-N 3.29Å; L604-Y611 HydrophobicContact CB-CD2 4.39Å; L604-Y611 HydrophobicContact CB-CE1 4.44Å; L604-Y611 HydrophobicContact CB-CE2 3.78Å; L604-Y611 WeakPolarHBondContact O-CE2 3.48Å; L604-Y611 PolarHBondContact O-OH 3.42Å; L604-I616 HydrophobicContact CD1-CB 4.43Å; L604-I616 HydrophobicContact CD1-CG1 4.28Å; L604-I616 HydrophobicContact CD1-CG2 4.17Å; L604-E619 HydrophobicContact CD1-CB 4.37Å; L604-E619 HydrophobicContact CD2-CB 4.17Å; L604-T620 HydrophobicContact CD1-CG2 3.69Å; L604-T620 HydrophobicContact CG-CG2 4.26Å |
| 605 | F | 95.5 | Very high | 94.9 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5.3 | -176.2 | -68.9 | -83.5 | 0 | 0 | 0 | 113.9 | I601 L602 M603 N607 R608 Y611 L644 F659 V661 | I601-F605 HydrophobicContact CG2-CE2 4.3Å; I601-F605 WeakPolarHBondContact O-CD2 3.28Å; L602-F605 PolarHBondContact O-N 2.83Å; M603-F605 VanDerWaalsContact C-N 3.26Å; M603-F605 PolarHBondContact O-N 2.96Å; F605-N607 VanDerWaalsContact C-N 3.26Å; F605-R608 WeakPolarHBondContact CA-O 3.31Å; F605-Y611 HydrophobicContact CD1-CD2 4.08Å; F605-Y611 HydrophobicContact CD1-CE2 4.38Å; F605-Y611 AromaticContact CE1-CD2 3.82Å; F605-Y611 HydrophobicContact CE1-CD2 3.82Å; F605-Y611 HydrophobicContact CZ-CD2 4.11Å; F605-L644 HydrophobicContact CD2-CD2 4.04Å; F605-L644 HydrophobicContact CE1-CD2 4.36Å; F605-L644 HydrophobicContact CE2-CD1 3.96Å; F605-L644 HydrophobicContact CE2-CD2 3.67Å; F605-L644 HydrophobicContact CE2-CG 4.5Å; F605-L644 HydrophobicContact CZ-CD1 4.25Å; F605-L644 HydrophobicContact CZ-CD2 3.85Å; F605-F659 WeakPolarHBondContact CE1-O 3.43Å; F605-F659 HydrophobicContact CZ-CB 4.02Å; F605-V661 HydrophobicContact CB-CG2 3.64Å; F605-V661 HydrophobicContact CD1-CG2 3.76Å; F605-V661 HydrophobicContact CG-CG2 3.78Å |
| 606 | N | 92.7 | Very high | 95.1 | Very high | 117 Ų | 117 | 48.3 Ų | 48.3 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.7 | 167.8 | -64.8 | -52.4 | 0 | 0 | 0 | 112.7 | M603 L604 | M603-N606 PolarHBondContact O-N 3.35Å; M603-N606 PolarHBondContact O-ND2 3.13Å; L604-N606 PolarHBondContact O-N 2.85Å; L604-N606 VanDerWaalsContact O-N 3.17Å |
| 607 | N | 91.5 | Very high | 95.3 | Very high | 126 Ų | 126 | 50.3 Ų | 50.3 | 67% | 0.674 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -32.1 | -176.3 | -59.1 | -28.6 | 0 | 0 | 0 | 113 | L604 F605 | L604-N607 PolarHBondContact O-N 3.29Å; F605-N607 VanDerWaalsContact C-N 3.26Å |
| 608 | R | 92.5 | Very high | 95.4 | Very high | 126 Ų | 126 | 57.3 Ų | 57.3 | 48% | 0.475 | 27% | 0.273 | S | S | . | . | trans | -146.3 | 149.1 | -179.6 | -53.2 | -180 | -175.3 | 143.6 | 8.1 | 110.3 | F605 Y611 E619 | F605-R608 WeakPolarHBondContact CA-O 3.31Å; R608-Y611 HydrophobicContact CB-CE1 4.47Å; R608-Y611 HydrophobicContact CB-CE2 3.69Å; R608-Y611 HydrophobicContact CG-CE2 4.46Å; R608-Y611 WeakPolarHBondContact CG-OH 3.44Å; R608-E619 IonicContact CZ-OE1 4Å; R608-E619 IonicContact NH1-OE1 2.96Å; R608-E619 PolarHBondContact NH1-OE1 3.35Å; R608-E619 IonicContact NH2-OE1 3.75Å | ||
| 609 | E | 88.7 | Confident | 95.4 | Very high | 155 Ų | 155 | 60.3 Ų | 60.3 | 72% | 0.724 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -77.8 | -26.7 | -177 | -64.1 | -178.1 | 171.8 | 0 | 0 | 114.1 | ||
| 610 | K | 94.6 | Very high | 95.3 | Very high | 121 Ų | 121 | 59.5 Ų | 59.5 | 53% | 0.526 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 142.5 | -174.7 | -45.8 | -161 | 176.3 | -177.8 | 0 | 111 | I658 F659 T660 | K610-I658 HydrophobicContact CB-CG2 4.24Å; K610-F659 WeakPolarHBondContact CA-O 3.05Å; K610-T660 HydrophobicContact CB-CG2 3.99Å; K610-T660 HydrophobicContact CD-CG2 3.7Å; K610-T660 HydrophobicContact CG-CG2 3.52Å |
| 611 | Y | 97.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 144 | 172.1 | -70 | -93.9 | 0 | 0 | 0 | 110.8 | L604 F605 R608 E615 I616 I658 F659 | L604-Y611 HydrophobicContact CB-CD2 4.39Å; L604-Y611 HydrophobicContact CB-CE1 4.44Å; L604-Y611 HydrophobicContact CB-CE2 3.78Å; L604-Y611 WeakPolarHBondContact O-CE2 3.48Å; L604-Y611 PolarHBondContact O-OH 3.42Å; F605-Y611 HydrophobicContact CD1-CD2 4.08Å; F605-Y611 HydrophobicContact CD1-CE2 4.38Å; F605-Y611 AromaticContact CE1-CD2 3.82Å; F605-Y611 HydrophobicContact CE1-CD2 3.82Å; F605-Y611 HydrophobicContact CZ-CD2 4.11Å; R608-Y611 HydrophobicContact CB-CE1 4.47Å; R608-Y611 HydrophobicContact CB-CE2 3.69Å; R608-Y611 HydrophobicContact CG-CE2 4.46Å; R608-Y611 WeakPolarHBondContact CG-OH 3.44Å; Y611-E615 HydrophobicContact CD1-CB 4.03Å; Y611-I616 HydrophobicContact CG-CG1 4.24Å; Y611-I658 CarbonylContact O-C 3.49Å; Y611-I658 WeakPolarHBondContact O-CA 3.42Å; Y611-F659 PolarHBondContact N-O 2.77Å; Y611-F659 VanDerWaalsContact N-O 3.09Å; Y611-F659 PolarHBondContact O-N 2.95Å |
| 612 | T | 97.2 | Very high | 95.1 | Very high | 37 Ų | 37 | 62.7 Ų | 62.7 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 161.4 | 165.5 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | E614 E615 I616 H657 I658 | T612-E614 VanDerWaalsContact C-N 3.26Å; T612-E614 PolarHBondContact O-N 3.09Å; T612-E615 PolarHBondContact N-OE2 2.63Å; T612-E615 PolarHBondContact O-N 3.41Å; T612-E615 WeakPolarHBondContact OG1-CB 3.47Å; T612-E615 WeakPolarHBondContact OG1-CG 3.23Å; T612-E615 PolarHBondContact OG1-N 3.36Å; T612-E615 PolarHBondContact OG1-OE2 2.92Å; T612-I616 WeakPolarHBondContact O-CG1 3.5Å; T612-I616 PolarHBondContact O-N 3.43Å; T612-I616 VanDerWaalsContact O-N 3.08Å; T612-H657 CarbonylContact C-O 3.5Å; T612-H657 WeakPolarHBondContact CA-O 3.5Å; T612-I658 HydrophobicContact CG2-CG1 4.23Å |
| 613 | F | 97.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.1 | -43.9 | 175.6 | 175.9 | -97.6 | 0 | 0 | 0 | 112.1 | I616 Q617 E624 L627 V628 L631 I653 N655 H657 F659 | F613-I616 PolarHBondContact O-N 3.32Å; F613-Q617 WeakPolarHBondContact O-CB 3.12Å; F613-Q617 PolarHBondContact O-N 3.42Å; F613-E624 HydrophobicContact CE1-CG 4.3Å; F613-E624 HydrophobicContact CZ-CG 3.92Å; F613-L627 HydrophobicContact CD2-CD2 4.21Å; F613-L627 HydrophobicContact CD2-CG 4.47Å; F613-L627 HydrophobicContact CE1-CD2 4.49Å; F613-L627 HydrophobicContact CE2-CD2 3.67Å; F613-L627 HydrophobicContact CE2-CG 3.79Å; F613-L627 HydrophobicContact CZ-CD2 3.84Å; F613-L627 HydrophobicContact CZ-CG 4.29Å; F613-V628 HydrophobicContact CE2-CG2 3.85Å; F613-V628 HydrophobicContact CZ-CG2 3.96Å; F613-L631 HydrophobicContact CD2-CD1 3.7Å; F613-L631 HydrophobicContact CE2-CD1 4.02Å; F613-I653 HydrophobicContact CD2-CG2 3.49Å; F613-I653 VanDerWaalsContact CD2-CG2 3.49Å; F613-I653 HydrophobicContact CE2-CG2 3.64Å; F613-I653 HydrophobicContact CG-CG2 4.43Å; F613-N655 WeakPolarHBondContact CD1-OD1 3.4Å; F613-N655 VanDerWaalsContact CE1-OD1 3.28Å; F613-N655 WeakPolarHBondContact CE1-OD1 3.39Å; F613-H657 PolarHBondContact N-O 3.29Å; F613-F659 HydrophobicContact CB-CE2 4.23Å |
| 614 | E | 97.1 | Very high | 94.6 | Very high | 72 Ų | 72 | 66.1 Ų | 66.1 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.8 | -41 | -178.1 | -63.4 | 90.7 | 148.2 | 0 | 0 | 112.1 | T612 Q617 Q618 N655 G656 | T612-E614 VanDerWaalsContact C-N 3.26Å; T612-E614 PolarHBondContact O-N 3.09Å; E614-Q617 PolarHBondContact O-N 2.92Å; E614-Q618 WeakPolarHBondContact O-CB 3.26Å; E614-Q618 PolarHBondContact O-N 3.03Å; E614-N655 WeakPolarHBondContact OE1-CA 3.38Å; E614-N655 WeakPolarHBondContact OE1-CB 3.2Å; E614-G656 VanDerWaalsContact CD-N 3.25Å; E614-G656 PolarHBondContact OE1-N 3Å; E614-G656 PolarHBondContact OE2-N 3.37Å |
| 615 | E | 97 | Very high | 94.2 | Very high | 72 Ų | 72 | 71.7 Ų | 71.7 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 174.6 | -72.5 | 166.2 | 141 | 0 | 0 | 111.1 | Y611 T612 Q617 Q618 E619 | Y611-E615 HydrophobicContact CD1-CB 4.03Å; T612-E615 PolarHBondContact N-OE2 2.63Å; T612-E615 PolarHBondContact O-N 3.41Å; T612-E615 WeakPolarHBondContact OG1-CB 3.47Å; T612-E615 WeakPolarHBondContact OG1-CG 3.23Å; T612-E615 PolarHBondContact OG1-N 3.36Å; T612-E615 PolarHBondContact OG1-OE2 2.92Å; E615-Q617 VanDerWaalsContact C-N 3.33Å; E615-Q617 PolarHBondContact O-N 3.1Å; E615-Q618 PolarHBondContact O-N 3.1Å; E615-E619 WeakPolarHBondContact O-CB 3.33Å; E615-E619 WeakPolarHBondContact O-CG 3.38Å; E615-E619 PolarHBondContact O-N 3.25Å |
| 616 | I | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.8 | -61.3 | 172.4 | 0 | 0 | 0 | 109.7 | I601 L604 Y611 T612 F613 Q618 T620 L627 L631 F659 | I601-I616 HydrophobicContact CG1-CG2 3.96Å; I601-I616 HydrophobicContact CG2-CG2 4.23Å; L604-I616 HydrophobicContact CD1-CB 4.43Å; L604-I616 HydrophobicContact CD1-CG1 4.28Å; L604-I616 HydrophobicContact CD1-CG2 4.17Å; Y611-I616 HydrophobicContact CG-CG1 4.24Å; T612-I616 WeakPolarHBondContact O-CG1 3.5Å; T612-I616 PolarHBondContact O-N 3.43Å; T612-I616 VanDerWaalsContact O-N 3.08Å; F613-I616 PolarHBondContact O-N 3.32Å; I616-Q618 PolarHBondContact O-N 2.84Å; I616-T620 HydrophobicContact CG2-CG2 4.03Å; I616-T620 VanDerWaalsContact O-CB 3.28Å; I616-T620 WeakPolarHBondContact O-CB 3.33Å; I616-T620 VanDerWaalsContact O-CG2 3.25Å; I616-T620 WeakPolarHBondContact O-CG2 3.32Å; I616-T620 PolarHBondContact O-N 2.85Å; I616-T620 PolarHBondContact O-OG1 3.36Å; I616-L627 HydrophobicContact CG2-CD1 3.7Å; I616-L631 HydrophobicContact CD1-CD1 4.48Å; I616-L631 HydrophobicContact CD1-CD2 4.02Å; I616-F659 HydrophobicContact CD1-CB 4.18Å; I616-F659 HydrophobicContact CD1-CD2 3.83Å; I616-F659 HydrophobicContact CD1-CG 4.19Å |
| 617 | Q | 96.2 | Very high | 93.8 | Very high | 58 Ų | 58 | 67.3 Ų | 67.3 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 179.1 | -169.2 | 177.4 | 27.8 | 0 | 0 | 111.7 | F613 E614 E615 D621 L627 | F613-Q617 WeakPolarHBondContact O-CB 3.12Å; F613-Q617 PolarHBondContact O-N 3.42Å; E614-Q617 PolarHBondContact O-N 2.92Å; E615-Q617 VanDerWaalsContact C-N 3.33Å; E615-Q617 PolarHBondContact O-N 3.1Å; Q617-D621 WeakPolarHBondContact O-CA 3.33Å; Q617-D621 PolarHBondContact O-N 3.26Å; Q617-L627 HydrophobicContact CB-CD2 3.49Å; Q617-L627 VanDerWaalsContact CB-CD2 3.49Å; Q617-L627 HydrophobicContact CG-CD2 3.86Å |
| 618 | Q | 95.5 | Very high | 93.9 | Very high | 158 Ų | 158 | 62.7 Ų | 62.7 | 74% | 0.738 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.6 | -46 | -178.4 | -173.3 | 179.5 | 11.6 | 0 | 0 | 112.2 | E614 E615 I616 | E614-Q618 WeakPolarHBondContact O-CB 3.26Å; E614-Q618 PolarHBondContact O-N 3.03Å; E615-Q618 PolarHBondContact O-N 3.1Å; I616-Q618 PolarHBondContact O-N 2.84Å |
| 619 | E | 95.5 | Very high | 93.7 | Very high | 64 Ų | 64 | 60 Ų | 60 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72.1 | -36 | -177.8 | -69.3 | -166.6 | -157.7 | 0 | 0 | 111.9 | N523 L604 R608 E615 | N523-E619 WeakPolarHBondContact CB-O 3.37Å; N523-E619 PolarHBondContact ND2-O 3.09Å; L604-E619 HydrophobicContact CD1-CB 4.37Å; L604-E619 HydrophobicContact CD2-CB 4.17Å; R608-E619 IonicContact CZ-OE1 4Å; R608-E619 IonicContact NH1-OE1 2.96Å; R608-E619 PolarHBondContact NH1-OE1 3.35Å; R608-E619 IonicContact NH2-OE1 3.75Å; E615-E619 WeakPolarHBondContact O-CB 3.33Å; E615-E619 WeakPolarHBondContact O-CG 3.38Å; E615-E619 PolarHBondContact O-N 3.25Å |
| 620 | T | 95.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -87.6 | -21 | -178.9 | 67.5 | 0 | 0 | 0 | 0 | 114.6 | C522 N523 T600 I601 L604 I616 I622 | C522-T620 CarbonylContact C-O 3.53Å; C522-T620 WeakPolarHBondContact CA-O 3.42Å; N523-T620 PolarHBondContact N-O 3.46Å; T600-T620 HydrophobicContact CG2-CG2 3.71Å; I601-T620 HydrophobicContact CG1-CG2 4.44Å; L604-T620 HydrophobicContact CD1-CG2 3.69Å; L604-T620 HydrophobicContact CG-CG2 4.26Å; I616-T620 HydrophobicContact CG2-CG2 4.03Å; I616-T620 VanDerWaalsContact O-CB 3.28Å; I616-T620 WeakPolarHBondContact O-CB 3.33Å; I616-T620 VanDerWaalsContact O-CG2 3.25Å; I616-T620 WeakPolarHBondContact O-CG2 3.32Å; I616-T620 PolarHBondContact O-N 2.85Å; I616-T620 PolarHBondContact O-OG1 3.36Å; T620-I622 HydrophobicContact CG2-CD1 4.25Å; T620-I622 PolarHBondContact O-N 3.13Å; T620-I622 WeakPolarHBondContact OG1-CD1 3.34Å; T620-I622 WeakPolarHBondContact OG1-CG1 3.42Å; T620-I622 PolarHBondContact OG1-N 3.25Å |
| 621 | D | 94.6 | Very high | 93.9 | Very high | 67 Ų | 67 | 47 Ų | 47 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | trans | 53.8 | 28.1 | -172.7 | -162 | 31.2 | 0 | 0 | 0 | 113.3 | K521 Q617 | K521-D621 CarbonylContact C-O 3.4Å; K521-D621 VanDerWaalsContact C-O 3.24Å; K521-D621 WeakPolarHBondContact CB-OD2 3.32Å; K521-D621 VanDerWaalsContact CD-OD2 3.22Å; K521-D621 WeakPolarHBondContact CD-OD2 3.41Å; Q617-D621 WeakPolarHBondContact O-CA 3.33Å; Q617-D621 PolarHBondContact O-N 3.26Å | ||
| 622 | I | 93.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | trans | -80.6 | 133.3 | 177.9 | -64.1 | 168.8 | 0 | 0 | 0 | 109.1 | F597 I601 T620 E624 E626 L627 | F597-I622 HydrophobicContact CB-CD1 3.96Å; F597-I622 HydrophobicContact CD1-CD1 3.93Å; F597-I622 HydrophobicContact CD1-CG1 3.89Å; F597-I622 HydrophobicContact CD1-CG2 4.14Å; F597-I622 HydrophobicContact CE1-CG1 4.4Å; F597-I622 HydrophobicContact CE1-CG2 4.4Å; F597-I622 HydrophobicContact CG-CD1 4.24Å; F597-I622 HydrophobicContact CG-CG2 4.25Å; I601-I622 HydrophobicContact CD1-CD1 4.33Å; I601-I622 HydrophobicContact CG1-CD1 4.07Å; T620-I622 HydrophobicContact CG2-CD1 4.25Å; T620-I622 PolarHBondContact O-N 3.13Å; T620-I622 WeakPolarHBondContact OG1-CD1 3.34Å; T620-I622 WeakPolarHBondContact OG1-CG1 3.42Å; T620-I622 PolarHBondContact OG1-N 3.25Å; I622-E624 PolarHBondContact O-N 2.91Å; I622-E626 HydrophobicContact CG2-CB 4.05Å; I622-L627 HydrophobicContact CB-CB 4.3Å; I622-L627 HydrophobicContact CG2-CB 3.86Å | ||
| 623 | P | 90.7 | Very high | 93.3 | Very high | 54 Ų | 54 | 47.5 Ų | 47.5 | 35% | 0.351 | 22% | 0.223 | S | C | . | . | trans | -57.8 | 138.5 | 175 | -26.2 | 35.6 | 0 | 0 | 0 | 112.4 | P520 R625 E626 L627 | P520-P623 HydrophobicContact CB-CG 3.93Å; P623-R625 VanDerWaalsContact C-N 3.31Å; P623-R625 PolarHBondContact O-N 2.95Å; P623-R625 VanDerWaalsContact O-N 3.13Å; P623-E626 PolarHBondContact O-N 2.85Å; P623-L627 PolarHBondContact O-N 3.27Å | ||
| 624 | E | 90.9 | Very high | 93.2 | Very high | 111 Ų | 111 | 47.4 Ų | 47.4 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -48.5 | -47.9 | -171.6 | -165.2 | -175.5 | 149.8 | 0 | 0 | 113.5 | F613 I622 E626 L627 V628 | F613-E624 HydrophobicContact CE1-CG 4.3Å; F613-E624 HydrophobicContact CZ-CG 3.92Å; I622-E624 PolarHBondContact O-N 2.91Å; E624-E626 VanDerWaalsContact C-N 3.31Å; E624-E626 PolarHBondContact O-N 2.92Å; E624-L627 PolarHBondContact O-N 3.42Å; E624-V628 WeakPolarHBondContact O-CG2 3.47Å; E624-V628 PolarHBondContact O-N 3.5Å |
| 625 | R | 86.7 | Confident | 93 | Very high | 136 Ų | 136 | 44.4 Ų | 44.4 | 51% | 0.513 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57 | -42.8 | 178.8 | -176.3 | -178.4 | 179.7 | -158.2 | -4.5 | 112.7 | P623 R629 E687 | P623-R625 VanDerWaalsContact C-N 3.31Å; P623-R625 PolarHBondContact O-N 2.95Å; P623-R625 VanDerWaalsContact O-N 3.13Å; R625-R629 WeakPolarHBondContact O-CG 3.45Å; R625-R629 PolarHBondContact O-N 3.26Å; R625-E687 IonicContact CZ-OE1 3.98Å; R625-E687 IonicContact NH1-OE1 3.07Å; R625-E687 IonicContact NH2-OE1 3.83Å; R625-E687 PolarHBondContact NH2-OE1 2.93Å |
| 626 | E | 87.7 | Confident | 92.6 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 23% | 0.229 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -78.4 | -34.2 | -179.1 | -65.5 | -56.9 | 131.7 | 0 | 0 | 111.3 | F597 I622 P623 E624 R629 A630 | F597-E626 HydrophobicContact CD2-CB 4.04Å; F597-E626 HydrophobicContact CE2-CB 3.76Å; F597-E626 HydrophobicContact CE2-CG 3.99Å; F597-E626 HydrophobicContact CZ-CB 4.49Å; I622-E626 HydrophobicContact CG2-CB 4.05Å; P623-E626 PolarHBondContact O-N 2.85Å; E624-E626 VanDerWaalsContact C-N 3.31Å; E624-E626 PolarHBondContact O-N 2.92Å; E626-R629 PolarHBondContact O-N 2.8Å; E626-R629 IonicContact OE1-NH1 2.81Å; E626-R629 PolarHBondContact OE1-NH1 2.98Å; E626-A630 WeakPolarHBondContact O-CB 3.11Å; E626-A630 PolarHBondContact O-N 3.15Å |
| 627 | L | 93 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -48 | 174.5 | 178.9 | 58.2 | 0 | 0 | 0 | 111.6 | I601 F613 I616 Q617 I622 P623 E624 R629 A630 L631 | I601-L627 HydrophobicContact CD1-CD1 3.67Å; I601-L627 HydrophobicContact CG1-CD1 4.07Å; F613-L627 HydrophobicContact CD2-CD2 4.21Å; F613-L627 HydrophobicContact CD2-CG 4.47Å; F613-L627 HydrophobicContact CE1-CD2 4.49Å; F613-L627 HydrophobicContact CE2-CD2 3.67Å; F613-L627 HydrophobicContact CE2-CG 3.79Å; F613-L627 HydrophobicContact CZ-CD2 3.84Å; F613-L627 HydrophobicContact CZ-CG 4.29Å; I616-L627 HydrophobicContact CG2-CD1 3.7Å; Q617-L627 HydrophobicContact CB-CD2 3.49Å; Q617-L627 VanDerWaalsContact CB-CD2 3.49Å; Q617-L627 HydrophobicContact CG-CD2 3.86Å; I622-L627 HydrophobicContact CB-CB 4.3Å; I622-L627 HydrophobicContact CG2-CB 3.86Å; P623-L627 PolarHBondContact O-N 3.27Å; E624-L627 PolarHBondContact O-N 3.42Å; L627-R629 VanDerWaalsContact C-N 3.33Å; L627-R629 PolarHBondContact O-N 2.76Å; L627-A630 PolarHBondContact O-N 3.49Å; L627-L631 HydrophobicContact CD1-CD1 3.73Å; L627-L631 HydrophobicContact CD1-CG 3.97Å; L627-L631 HydrophobicContact CG-CD1 3.86Å; L627-L631 HydrophobicContact CG-CG 4.48Å; L627-L631 WeakPolarHBondContact O-CB 3.47Å; L627-L631 WeakPolarHBondContact O-CG 3.33Å; L627-L631 PolarHBondContact O-N 3.24Å |
| 628 | V | 92.4 | Very high | 91.3 | Very high | 29 Ų | 29 | 46.9 Ų | 46.9 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.2 | -47.9 | 175.6 | 166.7 | 0 | 0 | 0 | 0 | 110.6 | F613 E624 A630 L631 Q632 I653 | F613-V628 HydrophobicContact CE2-CG2 3.85Å; F613-V628 HydrophobicContact CZ-CG2 3.96Å; E624-V628 WeakPolarHBondContact O-CG2 3.47Å; E624-V628 PolarHBondContact O-N 3.5Å; V628-A630 PolarHBondContact O-N 3.08Å; V628-L631 PolarHBondContact O-N 2.9Å; V628-Q632 HydrophobicContact CG1-CG 4.3Å; V628-Q632 VanDerWaalsContact O-CB 3.3Å; V628-Q632 WeakPolarHBondContact O-CB 3.43Å; V628-Q632 VanDerWaalsContact O-CG 3.26Å; V628-Q632 WeakPolarHBondContact O-CG 3.35Å; V628-Q632 PolarHBondContact O-N 2.81Å; V628-I653 HydrophobicContact CG1-CB 4.2Å; V628-I653 HydrophobicContact CG2-CB 4.37Å; V628-I653 HydrophobicContact CG2-CG2 4.21Å |
| 629 | R | 88.9 | Confident | 90.7 | Very high | 68 Ų | 68 | 44 Ų | 44 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 177.9 | -75.3 | 172.5 | 167 | 179.6 | -9.4 | 112.4 | R625 E626 L627 S633 | R625-R629 WeakPolarHBondContact O-CG 3.45Å; R625-R629 PolarHBondContact O-N 3.26Å; E626-R629 PolarHBondContact O-N 2.8Å; E626-R629 IonicContact OE1-NH1 2.81Å; E626-R629 PolarHBondContact OE1-NH1 2.98Å; L627-R629 VanDerWaalsContact C-N 3.33Å; L627-R629 PolarHBondContact O-N 2.76Å; R629-S633 PolarHBondContact O-N 3.29Å; R629-S633 VanDerWaalsContact O-N 3.17Å; R629-S633 PolarHBondContact O-OG 3.36Å |
| 630 | A | 92.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -49.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | F597 Q598 I601 E626 L627 V628 S633 L634 | F597-A630 HydrophobicContact CB-CB 4.27Å; Q598-A630 HydrophobicContact CG-CB 4.07Å; I601-A630 HydrophobicContact CD1-CB 3.55Å; E626-A630 WeakPolarHBondContact O-CB 3.11Å; E626-A630 PolarHBondContact O-N 3.15Å; L627-A630 PolarHBondContact O-N 3.49Å; V628-A630 PolarHBondContact O-N 3.08Å; A630-S633 WeakPolarHBondContact O-CB 3.42Å; A630-S633 PolarHBondContact O-N 3.34Å; A630-L634 VanDerWaalsContact O-CG 3.3Å; A630-L634 WeakPolarHBondContact O-CG 3.24Å; A630-L634 PolarHBondContact O-N 3.34Å; A630-L634 VanDerWaalsContact O-N 3.12Å |
| 631 | L | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -36.9 | 179 | -71.3 | 170.4 | 0 | 0 | 0 | 112.7 | I601 F613 I616 L627 V628 S633 L634 A635 L644 I653 F659 | I601-L631 HydrophobicContact CD1-CD2 4.3Å; I601-L631 HydrophobicContact CD1-CG 4.26Å; I601-L631 HydrophobicContact CG2-CD2 3.82Å; F613-L631 HydrophobicContact CD2-CD1 3.7Å; F613-L631 HydrophobicContact CE2-CD1 4.02Å; I616-L631 HydrophobicContact CD1-CD1 4.48Å; I616-L631 HydrophobicContact CD1-CD2 4.02Å; L627-L631 HydrophobicContact CD1-CD1 3.73Å; L627-L631 HydrophobicContact CD1-CG 3.97Å; L627-L631 HydrophobicContact CG-CD1 3.86Å; L627-L631 HydrophobicContact CG-CG 4.48Å; L627-L631 WeakPolarHBondContact O-CB 3.47Å; L627-L631 WeakPolarHBondContact O-CG 3.33Å; L627-L631 PolarHBondContact O-N 3.24Å; V628-L631 PolarHBondContact O-N 2.9Å; L631-S633 PolarHBondContact O-N 3.48Å; L631-L634 PolarHBondContact O-N 2.94Å; L631-L634 VanDerWaalsContact O-N 3.14Å; L631-A635 WeakPolarHBondContact O-CB 3.14Å; L631-A635 PolarHBondContact O-N 3.15Å; L631-L644 HydrophobicContact CD2-CD1 4.19Å; L631-I653 VanDerWaalsContact C-CD1 3.48Å; L631-I653 HydrophobicContact CB-CD1 3.27Å; L631-I653 HydrophobicContact CD1-CG2 4.41Å; L631-F659 HydrophobicContact CB-CE1 4.07Å; L631-F659 HydrophobicContact CB-CZ 4.18Å; L631-F659 HydrophobicContact CD1-CE1 4.33Å; L631-F659 HydrophobicContact CD1-CE2 3.89Å; L631-F659 HydrophobicContact CD1-CZ 3.79Å; L631-F659 HydrophobicContact CD2-CD1 4.04Å; L631-F659 HydrophobicContact CD2-CD2 4.49Å; L631-F659 HydrophobicContact CD2-CE1 4.03Å; L631-F659 HydrophobicContact CD2-CG 4.27Å; L631-F659 HydrophobicContact CD2-CZ 4.28Å; L631-F659 HydrophobicContact CG-CE1 4.39Å; L631-F659 HydrophobicContact CG-CZ 4.32Å |
| 632 | Q | 92 | Very high | 89.8 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -58.8 | -41.7 | 174.1 | -83 | 178.6 | -20.3 | 0 | 0 | 110.7 | V628 L634 C636 G637 I653 V677 | V628-Q632 HydrophobicContact CG1-CG 4.3Å; V628-Q632 VanDerWaalsContact O-CB 3.3Å; V628-Q632 WeakPolarHBondContact O-CB 3.43Å; V628-Q632 VanDerWaalsContact O-CG 3.26Å; V628-Q632 WeakPolarHBondContact O-CG 3.35Å; V628-Q632 PolarHBondContact O-N 2.81Å; Q632-L634 VanDerWaalsContact C-N 3.34Å; Q632-L634 PolarHBondContact O-N 2.9Å; Q632-C636 CarbonylContact O-C 3.53Å; Q632-C636 WeakPolarHBondContact O-CA 3.48Å; Q632-C636 WeakPolarHBondContact O-CB 3.36Å; Q632-C636 PolarHBondContact O-N 3.2Å; Q632-G637 PolarHBondContact O-N 3.37Å; Q632-I653 HydrophobicContact CB-CD1 4.24Å; Q632-I653 HydrophobicContact CG-CD1 3.62Å; Q632-I653 HydrophobicContact CG-CG1 3.85Å; Q632-V677 HydrophobicContact CB-CG2 4.25Å |
| 633 | S | 90.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -64.7 | -39.4 | 177.4 | -49.6 | 0 | 0 | 0 | 0 | 111.9 | Q598 R629 A630 L631 T676 V677 | Q598-S633 VanDerWaalsContact NE2-CB 3.29Å; R629-S633 PolarHBondContact O-N 3.29Å; R629-S633 VanDerWaalsContact O-N 3.17Å; R629-S633 PolarHBondContact O-OG 3.36Å; A630-S633 WeakPolarHBondContact O-CB 3.42Å; A630-S633 PolarHBondContact O-N 3.34Å; L631-S633 PolarHBondContact O-N 3.48Å; S633-T676 WeakPolarHBondContact OG-CA 3.19Å; S633-V677 PolarHBondContact OG-N 2.88Å |
| 634 | L | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -80.3 | -30.8 | -175.8 | -65.8 | 168.4 | 0 | 0 | 0 | 113.9 | Q598 I601 L602 A630 L631 Q632 R642 V643 L644 I674 | Q598-L634 HydrophobicContact CB-CD1 4.24Å; Q598-L634 HydrophobicContact CB-CD2 4.27Å; Q598-L634 HydrophobicContact CG-CD1 4.04Å; Q598-L634 HydrophobicContact CG-CD2 4.14Å; Q598-L634 HydrophobicContact CG-CG 4.06Å; I601-L634 HydrophobicContact CB-CD1 4.32Å; I601-L634 HydrophobicContact CD1-CD1 4.32Å; I601-L634 HydrophobicContact CG2-CD1 4.03Å; L602-L634 HydrophobicContact CD1-CD2 4.02Å; L602-L634 HydrophobicContact CD2-CD2 4.24Å; L602-L634 HydrophobicContact CG-CD1 4.4Å; L602-L634 HydrophobicContact CG-CD2 4.22Å; A630-L634 VanDerWaalsContact O-CG 3.3Å; A630-L634 WeakPolarHBondContact O-CG 3.24Å; A630-L634 PolarHBondContact O-N 3.34Å; A630-L634 VanDerWaalsContact O-N 3.12Å; L631-L634 PolarHBondContact O-N 2.94Å; L631-L634 VanDerWaalsContact O-N 3.14Å; Q632-L634 VanDerWaalsContact C-N 3.34Å; Q632-L634 PolarHBondContact O-N 2.9Å; L634-R642 CarbonylContact O-C 3.46Å; L634-R642 VanDerWaalsContact O-CA 3.28Å; L634-R642 WeakPolarHBondContact O-CA 3.46Å; L634-V643 HydrophobicContact CB-CG2 4.13Å; L634-V643 HydrophobicContact CD2-CG2 3.41Å; L634-V643 VanDerWaalsContact CD2-CG2 3.41Å; L634-V643 HydrophobicContact CG-CG2 4.36Å; L634-V643 PolarHBondContact O-N 3.09Å; L634-L644 HydrophobicContact CB-CB 4.46Å; L634-L644 HydrophobicContact CB-CD1 3.88Å; L634-L644 HydrophobicContact CB-CG 4.14Å; L634-L644 HydrophobicContact CD1-CD1 4.07Å; L634-L644 PolarHBondContact O-N 3.5Å; L634-I674 HydrophobicContact CD2-CG2 4.09Å |
| 635 | A | 93.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -117.9 | -34 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L631 R642 L644 K646 F659 | L631-A635 WeakPolarHBondContact O-CB 3.14Å; L631-A635 PolarHBondContact O-N 3.15Å; A635-R642 WeakPolarHBondContact O-CD 3.48Å; A635-R642 WeakPolarHBondContact O-CG 3.43Å; A635-L644 WeakPolarHBondContact CA-O 3.47Å; A635-L644 HydrophobicContact CB-CB 4.1Å; A635-K646 HydrophobicContact CB-CB 4.21Å; A635-F659 HydrophobicContact CB-CD1 4.13Å; A635-F659 HydrophobicContact CB-CE1 4.04Å |
| 636 | C | 88.7 | Confident | 90.6 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -108 | -7.8 | -171.6 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | Q632 | Q632-C636 CarbonylContact O-C 3.53Å; Q632-C636 WeakPolarHBondContact O-CA 3.48Å; Q632-C636 WeakPolarHBondContact O-CB 3.36Å; Q632-C636 PolarHBondContact O-N 3.2Å |
| 637 | G | 81.4 | Confident | 90.9 | Very high | 21 Ų | 21 | 38.4 Ų | 38.4 | 22% | 0.216 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -67.6 | -156.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q632 R642 | Q632-G637 PolarHBondContact O-N 3.37Å; G637-R642 PolarHBondContact O-NE 3.09Å; G637-R642 PolarHBondContact O-NH2 2.67Å |
| 638 | K | 84.3 | Confident | 90.9 | Very high | 130 Ų | 130 | 42.4 Ų | 42.4 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | trans | -62.1 | 141.2 | 175.2 | -67.8 | -178.9 | -180 | 178.4 | 0 | 109.6 | T640 Q641 R642 | K638-T640 PolarHBondContact O-N 3.03Å; K638-Q641 WeakPolarHBondContact O-CA 3.42Å; K638-Q641 PolarHBondContact O-N 3.25Å; K638-R642 WeakPolarHBondContact O-CG 3.27Å; K638-R642 PolarHBondContact O-N 3.45Å | ||
| 639 | P | 83.9 | Confident | 90.7 | Very high | 96 Ų | 96 | 50.6 Ų | 50.6 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -49.8 | -36 | 178.9 | -29.8 | 35.7 | 0 | 0 | 0 | 114 | Q641 R642 | P639-Q641 PolarHBondContact O-N 2.96Å; P639-Q641 VanDerWaalsContact O-N 3.13Å; P639-R642 PolarHBondContact O-N 3.01Å |
| 640 | T | 86.3 | Confident | 90.8 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 49% | 0.485 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -71.2 | 1.8 | 176.2 | 54.7 | 0 | 0 | 0 | 0 | 115.2 | K638 F665 | K638-T640 PolarHBondContact O-N 3.03Å; T640-F665 WeakPolarHBondContact O-CE2 3.26Å |
| 641 | Q | 89.1 | Confident | 90.4 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -130.5 | -0.8 | 178.9 | -60.8 | -178.1 | 20.5 | 0 | 0 | 112.5 | K638 P639 V643 I674 | K638-Q641 WeakPolarHBondContact O-CA 3.42Å; K638-Q641 PolarHBondContact O-N 3.25Å; P639-Q641 PolarHBondContact O-N 2.96Å; P639-Q641 VanDerWaalsContact O-N 3.13Å; Q641-V643 VanDerWaalsContact C-N 3.34Å; Q641-V643 PolarHBondContact O-N 3.04Å; Q641-I674 HydrophobicContact CB-CD1 3.9Å; Q641-I674 HydrophobicContact CG-CD1 4.26Å |
| 642 | R | 91.2 | Very high | 90.1 | Very high | 99 Ų | 99 | 64.6 Ų | 64.6 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | trans | -78.5 | 81.2 | -179.1 | -68.7 | -178.6 | -169.5 | 177 | -2.7 | 110.9 | L634 A635 G637 K638 P639 L644 N662 F665 | L634-R642 CarbonylContact O-C 3.46Å; L634-R642 VanDerWaalsContact O-CA 3.28Å; L634-R642 WeakPolarHBondContact O-CA 3.46Å; A635-R642 WeakPolarHBondContact O-CD 3.48Å; A635-R642 WeakPolarHBondContact O-CG 3.43Å; G637-R642 PolarHBondContact O-NE 3.09Å; G637-R642 PolarHBondContact O-NH2 2.67Å; K638-R642 WeakPolarHBondContact O-CG 3.27Å; K638-R642 PolarHBondContact O-N 3.45Å; P639-R642 PolarHBondContact O-N 3.01Å; R642-L644 VanDerWaalsContact C-N 3.32Å; R642-N662 WeakPolarHBondContact O-CB 3.33Å; R642-N662 PolarHBondContact O-ND2 3.32Å; R642-F665 WeakPolarHBondContact O-CD2 3.45Å | ||
| 643 | V | 94 | Very high | 90 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | trans | -80.2 | -17.2 | 177.6 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | F563 L592 L602 L634 Q641 N662 F665 I674 | F563-V643 HydrophobicContact CZ-CB 4.43Å; F563-V643 HydrophobicContact CZ-CG1 4.18Å; L592-V643 HydrophobicContact CD1-CG1 3.99Å; L592-V643 HydrophobicContact CD2-CG1 4.11Å; L602-V643 HydrophobicContact CD2-CG2 3.92Å; L634-V643 HydrophobicContact CB-CG2 4.13Å; L634-V643 HydrophobicContact CD2-CG2 3.41Å; L634-V643 VanDerWaalsContact CD2-CG2 3.41Å; L634-V643 HydrophobicContact CG-CG2 4.36Å; L634-V643 PolarHBondContact O-N 3.09Å; Q641-V643 VanDerWaalsContact C-N 3.34Å; Q641-V643 PolarHBondContact O-N 3.04Å; V643-N662 WeakPolarHBondContact O-CB 3.26Å; V643-N662 PolarHBondContact O-N 3.42Å; V643-F665 HydrophobicContact CG1-CD2 4.14Å; V643-F665 HydrophobicContact CG1-CE1 4.44Å; V643-F665 HydrophobicContact CG1-CE2 4.03Å; V643-F665 HydrophobicContact CG1-CG 4.39Å; V643-F665 HydrophobicContact CG1-CZ 4.2Å; V643-I674 HydrophobicContact CG1-CD1 4.08Å | ||
| 644 | L | 95.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 155.9 | 171.9 | -61.4 | 179.6 | 0 | 0 | 0 | 110.8 | I601 L602 F605 L631 L634 A635 R642 T660 V661 | I601-L644 HydrophobicContact CG2-CD1 4.31Å; L602-L644 HydrophobicContact CD2-CD2 4.15Å; L602-L644 HydrophobicContact CD2-CG 4.29Å; F605-L644 HydrophobicContact CD2-CD2 4.04Å; F605-L644 HydrophobicContact CE1-CD2 4.36Å; F605-L644 HydrophobicContact CE2-CD1 3.96Å; F605-L644 HydrophobicContact CE2-CD2 3.67Å; F605-L644 HydrophobicContact CE2-CG 4.5Å; F605-L644 HydrophobicContact CZ-CD1 4.25Å; F605-L644 HydrophobicContact CZ-CD2 3.85Å; L631-L644 HydrophobicContact CD2-CD1 4.19Å; L634-L644 HydrophobicContact CB-CB 4.46Å; L634-L644 HydrophobicContact CB-CD1 3.88Å; L634-L644 HydrophobicContact CB-CG 4.14Å; L634-L644 HydrophobicContact CD1-CD1 4.07Å; L634-L644 PolarHBondContact O-N 3.5Å; A635-L644 WeakPolarHBondContact CA-O 3.47Å; A635-L644 HydrophobicContact CB-CB 4.1Å; R642-L644 VanDerWaalsContact C-N 3.32Å; L644-T660 CarbonylContact C-O 3.49Å; L644-T660 VanDerWaalsContact CA-O 3.25Å; L644-T660 WeakPolarHBondContact CA-O 3.25Å; L644-V661 HydrophobicContact CD2-CG2 4.5Å |
| 645 | T | 94.3 | Very high | 90 | Very high | 47 Ų | 47 | 72.9 Ų | 72.9 | 29% | 0.288 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 157.9 | 163.8 | 80.2 | 0 | 0 | 0 | 0 | 110.3 | F659 T660 N662 | T645-F659 VanDerWaalsContact O-CA 3.3Å; T645-F659 WeakPolarHBondContact O-CA 3.4Å; T645-T660 PolarHBondContact N-O 3.31Å; T645-T660 PolarHBondContact O-N 2.89Å; T645-T660 VanDerWaalsContact O-N 3.14Å; T645-T660 PolarHBondContact OG1-OG1 2.82Å; T645-N662 HydrophobicContact CG2-CB 3.62Å |
| 646 | K | 95 | Very high | 89.9 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 5% | 0.048 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.8 | -176.6 | -173 | 178 | 78 | 71.2 | 0 | 110.6 | A635 P648 S650 E652 I653 H657 I658 F659 | A635-K646 HydrophobicContact CB-CB 4.21Å; K646-P648 PolarHBondContact NZ-O 3.28Å; K646-P648 CarbonylContact O-C 3.58Å; K646-S650 WeakPolarHBondContact CE-O 3.39Å; K646-S650 PolarHBondContact NZ-OG 3.32Å; K646-E652 WeakPolarHBondContact CE-O 3.41Å; K646-E652 PolarHBondContact NZ-O 2.88Å; K646-I653 HydrophobicContact CD-CG1 4.26Å; K646-H657 HydrophobicContact CD-CB 4.35Å; K646-H657 HydrophobicContact CG-CB 4.26Å; K646-H657 PolarHBondContact NZ-CE1 3.37Å; K646-H657 VanDerWaalsContact NZ-CE1 3.29Å; K646-H657 PolarHBondContact NZ-ND1 3.45Å; K646-I658 CarbonylContact C-O 3.57Å; K646-I658 VanDerWaalsContact CA-O 3.31Å; K646-I658 WeakPolarHBondContact CA-O 3.24Å; K646-F659 HydrophobicContact CB-CD1 4.19Å; K646-F659 HydrophobicContact CB-CE1 4.03Å; K646-F659 HydrophobicContact CD-CE1 3.65Å; K646-F659 HydrophobicContact CD-CZ 3.76Å; K646-F659 HydrophobicContact CG-CD1 4.2Å; K646-F659 HydrophobicContact CG-CE1 3.72Å; K646-F659 HydrophobicContact CG-CZ 3.99Å |
| 647 | E | 94.1 | Very high | 90.3 | Very high | 106 Ų | 106 | 73.4 Ų | 73.4 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127 | 173.2 | -68.1 | -177.8 | 171.6 | 0 | 0 | 110.2 | H657 I658 | E647-H657 WeakPolarHBondContact O-CA 3.49Å; E647-I658 HydrophobicContact CB-CB 4.48Å; E647-I658 PolarHBondContact N-O 2.93Å; E647-I658 PolarHBondContact O-N 3.49Å |
| 648 | P | 92.8 | Very high | 91.1 | Very high | 84 Ų | 84 | 75.2 Ų | 75.2 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | S | Bend | cis | -67.5 | 156.6 | -7.4 | 29.3 | -36.3 | 0 | 0 | 0 | 113.2 | K646 S650 | K646-P648 PolarHBondContact NZ-O 3.28Å; K646-P648 CarbonylContact O-C 3.58Å; P648-S650 PolarHBondContact O-N 2.87Å; P648-S650 VanDerWaalsContact O-N 3.15Å |
| 649 | K | 88.5 | Confident | 91.7 | Very high | 202 Ų | 202 | 69 Ų | 69 | 88% | 0.878 | 36% | 0.359 | S | S | * | . | trans | -71.8 | 107.1 | 176.2 | -69.5 | 179.9 | -177.8 | 172.9 | 0 | 110 | ||||
| 650 | S | 89.3 | Confident | 92.3 | Very high | 53 Ų | 53 | 65.5 Ų | 65.5 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | trans | -150.2 | 169.7 | 173.1 | 70.2 | 0 | 0 | 0 | 0 | 110 | K646 P648 E652 | K646-S650 WeakPolarHBondContact CE-O 3.39Å; K646-S650 PolarHBondContact NZ-OG 3.32Å; P648-S650 PolarHBondContact O-N 2.87Å; P648-S650 VanDerWaalsContact O-N 3.15Å; S650-E652 PolarHBondContact OG-O 2.99Å | ||
| 651 | K | 84.8 | Confident | 92.7 | Very high | 185 Ų | 185 | 64 Ų | 64 | 80% | 0.804 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -79.2 | -23.4 | 175.4 | -69.8 | -176.9 | -179.7 | 174.6 | 0 | 113 | ||
| 652 | E | 87.5 | Confident | 92.8 | Very high | 127 Ų | 127 | 64.4 Ų | 64.4 | 59% | 0.593 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -91.1 | 155.2 | -175.8 | -62.2 | -174.4 | -169.8 | 0 | 0 | 110.9 | K646 S650 H657 | K646-E652 WeakPolarHBondContact CE-O 3.41Å; K646-E652 PolarHBondContact NZ-O 2.88Å; S650-E652 PolarHBondContact OG-O 2.99Å; E652-H657 PolarHBondContact O-CE1 3.41Å; E652-H657 VanDerWaalsContact O-CE1 3.23Å; E652-H657 PolarHBondContact O-ND1 2.98Å |
| 653 | I | 90.9 | Very high | 92.7 | Very high | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | trans | -118.5 | 121.4 | 176.2 | -61.4 | -167.8 | 0 | 0 | 0 | 107.1 | F613 V628 L631 Q632 K646 F659 | F613-I653 HydrophobicContact CD2-CG2 3.49Å; F613-I653 VanDerWaalsContact CD2-CG2 3.49Å; F613-I653 HydrophobicContact CE2-CG2 3.64Å; F613-I653 HydrophobicContact CG-CG2 4.43Å; V628-I653 HydrophobicContact CG1-CB 4.2Å; V628-I653 HydrophobicContact CG2-CB 4.37Å; V628-I653 HydrophobicContact CG2-CG2 4.21Å; L631-I653 VanDerWaalsContact C-CD1 3.48Å; L631-I653 HydrophobicContact CB-CD1 3.27Å; L631-I653 HydrophobicContact CD1-CG2 4.41Å; Q632-I653 HydrophobicContact CB-CD1 4.24Å; Q632-I653 HydrophobicContact CG-CD1 3.62Å; Q632-I653 HydrophobicContact CG-CG1 3.85Å; K646-I653 HydrophobicContact CD-CG1 4.26Å; I653-F659 HydrophobicContact CD1-CE1 4.26Å; I653-F659 HydrophobicContact CD1-CZ 4.07Å; I653-F659 HydrophobicContact CG1-CZ 4.47Å; I653-F659 HydrophobicContact CG2-CZ 4.04Å | ||
| 654 | E | 92.2 | Very high | 92.2 | Very high | 103 Ų | 103 | 67.5 Ų | 67.5 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | trans | -132.5 | 165.6 | -175.6 | -62.4 | 173.6 | -145.1 | 0 | 0 | 108.3 | H657 | E654-H657 PolarHBondContact N-CE1 3.31Å; E654-H657 PolarHBondContact N-ND1 2.84Å; E654-H657 WeakPolarHBondContact O-CB 3.39Å; E654-H657 PolarHBondContact O-N 3.02Å | ||
| 655 | N | 91.6 | Very high | 91.9 | Very high | 102 Ų | 102 | 67.5 Ų | 67.5 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 142.3 | 171.5 | -70.9 | -14.8 | 0 | 0 | 0 | 110.7 | F613 E614 H657 | F613-N655 WeakPolarHBondContact CD1-OD1 3.4Å; F613-N655 VanDerWaalsContact CE1-OD1 3.28Å; F613-N655 WeakPolarHBondContact CE1-OD1 3.39Å; E614-N655 WeakPolarHBondContact OE1-CA 3.38Å; E614-N655 WeakPolarHBondContact OE1-CB 3.2Å; N655-H657 VanDerWaalsContact C-N 3.28Å; N655-H657 PolarHBondContact O-N 3.19Å |
| 656 | G | 93.3 | Very high | 91.4 | Very high | 42 Ų | 42 | 69.4 Ų | 69.4 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -7.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | E614 I658 | E614-G656 VanDerWaalsContact CD-N 3.25Å; E614-G656 PolarHBondContact OE1-N 3Å; E614-G656 PolarHBondContact OE2-N 3.37Å; G656-I658 PolarHBondContact O-N 3.45Å |
| 657 | H | 97.1 | Very high | 91 | Very high | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.046 | 37% | 0.368 | C | S | . | . | trans | -64.5 | 133.1 | 173.9 | -74.4 | 175.6 | 0 | 0 | 0 | 111.4 | T612 F613 K646 E647 E652 E654 N655 F659 | T612-H657 CarbonylContact C-O 3.5Å; T612-H657 WeakPolarHBondContact CA-O 3.5Å; F613-H657 PolarHBondContact N-O 3.29Å; K646-H657 HydrophobicContact CD-CB 4.35Å; K646-H657 HydrophobicContact CG-CB 4.26Å; K646-H657 PolarHBondContact NZ-CE1 3.37Å; K646-H657 VanDerWaalsContact NZ-CE1 3.29Å; K646-H657 PolarHBondContact NZ-ND1 3.45Å; E647-H657 WeakPolarHBondContact O-CA 3.49Å; E652-H657 PolarHBondContact O-CE1 3.41Å; E652-H657 VanDerWaalsContact O-CE1 3.23Å; E652-H657 PolarHBondContact O-ND1 2.98Å; E654-H657 PolarHBondContact N-CE1 3.31Å; E654-H657 PolarHBondContact N-ND1 2.84Å; E654-H657 WeakPolarHBondContact O-CB 3.39Å; E654-H657 PolarHBondContact O-N 3.02Å; N655-H657 VanDerWaalsContact C-N 3.28Å; N655-H657 PolarHBondContact O-N 3.19Å; H657-F659 HydrophobicContact CB-CE2 3.98Å; H657-F659 HydrophobicContact CB-CZ 4.24Å | ||
| 658 | I | 97.3 | Very high | 90.7 | Very high | 59 Ų | 59 | 75.8 Ų | 75.8 | 30% | 0.303 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 135.1 | -179.3 | -55.7 | 175 | 0 | 0 | 0 | 109.6 | K610 Y611 T612 K646 E647 G656 T660 | K610-I658 HydrophobicContact CB-CG2 4.24Å; Y611-I658 CarbonylContact O-C 3.49Å; Y611-I658 WeakPolarHBondContact O-CA 3.42Å; T612-I658 HydrophobicContact CG2-CG1 4.23Å; K646-I658 CarbonylContact C-O 3.57Å; K646-I658 VanDerWaalsContact CA-O 3.31Å; K646-I658 WeakPolarHBondContact CA-O 3.24Å; E647-I658 HydrophobicContact CB-CB 4.48Å; E647-I658 PolarHBondContact N-O 2.93Å; E647-I658 PolarHBondContact O-N 3.49Å; G656-I658 PolarHBondContact O-N 3.45Å; I658-T660 HydrophobicContact CG2-CG2 4.48Å |
| 659 | F | 97.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.9 | 178.3 | -61.3 | -91.8 | 0 | 0 | 0 | 111 | F605 K610 Y611 F613 I616 L631 A635 T645 K646 I653 H657 | F605-F659 WeakPolarHBondContact CE1-O 3.43Å; F605-F659 HydrophobicContact CZ-CB 4.02Å; K610-F659 WeakPolarHBondContact CA-O 3.05Å; Y611-F659 PolarHBondContact N-O 2.77Å; Y611-F659 VanDerWaalsContact N-O 3.09Å; Y611-F659 PolarHBondContact O-N 2.95Å; F613-F659 HydrophobicContact CB-CE2 4.23Å; I616-F659 HydrophobicContact CD1-CB 4.18Å; I616-F659 HydrophobicContact CD1-CD2 3.83Å; I616-F659 HydrophobicContact CD1-CG 4.19Å; L631-F659 HydrophobicContact CB-CE1 4.07Å; L631-F659 HydrophobicContact CB-CZ 4.18Å; L631-F659 HydrophobicContact CD1-CE1 4.33Å; L631-F659 HydrophobicContact CD1-CE2 3.89Å; L631-F659 HydrophobicContact CD1-CZ 3.79Å; L631-F659 HydrophobicContact CD2-CD1 4.04Å; L631-F659 HydrophobicContact CD2-CD2 4.49Å; L631-F659 HydrophobicContact CD2-CE1 4.03Å; L631-F659 HydrophobicContact CD2-CG 4.27Å; L631-F659 HydrophobicContact CD2-CZ 4.28Å; L631-F659 HydrophobicContact CG-CE1 4.39Å; L631-F659 HydrophobicContact CG-CZ 4.32Å; A635-F659 HydrophobicContact CB-CD1 4.13Å; A635-F659 HydrophobicContact CB-CE1 4.04Å; T645-F659 VanDerWaalsContact O-CA 3.3Å; T645-F659 WeakPolarHBondContact O-CA 3.4Å; K646-F659 HydrophobicContact CB-CD1 4.19Å; K646-F659 HydrophobicContact CB-CE1 4.03Å; K646-F659 HydrophobicContact CD-CE1 3.65Å; K646-F659 HydrophobicContact CD-CZ 3.76Å; K646-F659 HydrophobicContact CG-CD1 4.2Å; K646-F659 HydrophobicContact CG-CE1 3.72Å; K646-F659 HydrophobicContact CG-CZ 3.99Å; I653-F659 HydrophobicContact CD1-CE1 4.26Å; I653-F659 HydrophobicContact CD1-CZ 4.07Å; I653-F659 HydrophobicContact CG1-CZ 4.47Å; I653-F659 HydrophobicContact CG2-CZ 4.04Å; H657-F659 HydrophobicContact CB-CE2 3.98Å; H657-F659 HydrophobicContact CB-CZ 4.24Å |
| 660 | T | 95.4 | Very high | 90.6 | Very high | 22 Ų | 22 | 73.2 Ų | 73.2 | 14% | 0.135 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 159.4 | 176.7 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | K610 L644 T645 I658 | K610-T660 HydrophobicContact CB-CG2 3.99Å; K610-T660 HydrophobicContact CD-CG2 3.7Å; K610-T660 HydrophobicContact CG-CG2 3.52Å; L644-T660 CarbonylContact C-O 3.49Å; L644-T660 VanDerWaalsContact CA-O 3.25Å; L644-T660 WeakPolarHBondContact CA-O 3.25Å; T645-T660 PolarHBondContact N-O 3.31Å; T645-T660 PolarHBondContact O-N 2.89Å; T645-T660 VanDerWaalsContact O-N 3.14Å; T645-T660 PolarHBondContact OG1-OG1 2.82Å; I658-T660 HydrophobicContact CG2-CG2 4.48Å |
| 661 | V | 94.1 | Very high | 90.7 | Very high | 48 Ų | 48 | 77 Ų | 77 | 29% | 0.291 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 135.3 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | F563 F605 L644 D663 | F563-V661 HydrophobicContact CD1-CG1 4.2Å; F563-V661 HydrophobicContact CE1-CG1 4.22Å; F605-V661 HydrophobicContact CB-CG2 3.64Å; F605-V661 HydrophobicContact CD1-CG2 3.76Å; F605-V661 HydrophobicContact CG-CG2 3.78Å; L644-V661 HydrophobicContact CD2-CG2 4.5Å; V661-D663 PolarHBondContact O-N 3.02Å |
| 662 | N | 92.4 | Very high | 91.1 | Very high | 30 Ų | 30 | 68.6 Ų | 68.6 | 16% | 0.16 | 35% | 0.347 | C | S | . | . | trans | -88.1 | 83 | 173.3 | -176.4 | 14.6 | 0 | 0 | 0 | 110.8 | F563 R642 V643 T645 Q664 F665 | F563-N662 WeakPolarHBondContact CD1-O 3.43Å; R642-N662 WeakPolarHBondContact O-CB 3.33Å; R642-N662 PolarHBondContact O-ND2 3.32Å; V643-N662 WeakPolarHBondContact O-CB 3.26Å; V643-N662 PolarHBondContact O-N 3.42Å; T645-N662 HydrophobicContact CG2-CB 3.62Å; N662-Q664 PolarHBondContact O-N 2.89Å; N662-Q664 VanDerWaalsContact O-N 3.09Å; N662-Q664 WeakPolarHBondContact OD1-CB 3.2Å; N662-Q664 PolarHBondContact OD1-N 3.4Å; N662-F665 WeakPolarHBondContact O-CB 3Å; N662-F665 PolarHBondContact O-N 2.8Å | ||
| 663 | D | 88.1 | Confident | 91.3 | Very high | 27 Ų | 27 | 67.7 Ų | 67.7 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.2 | 177.2 | -78.7 | -71.6 | 0 | 0 | 0 | 114.6 | Y564 V577 V661 F665 | Y564-D663 PolarHBondContact N-OD1 2.96Å; V577-D663 HydrophobicContact CG1-CB 3.34Å; V577-D663 VanDerWaalsContact CG1-OD2 3.26Å; V577-D663 WeakPolarHBondContact CG1-OD2 3.44Å; V661-D663 PolarHBondContact O-N 3.02Å; D663-F665 VanDerWaalsContact C-N 3.27Å |
| 664 | Q | 84.6 | Confident | 91.3 | Very high | 138 Ų | 138 | 67.1 Ų | 67.1 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.6 | 171 | -60.3 | -174.9 | -4.9 | 0 | 0 | 113 | N662 T666 | N662-Q664 PolarHBondContact O-N 2.89Å; N662-Q664 VanDerWaalsContact O-N 3.09Å; N662-Q664 WeakPolarHBondContact OD1-CB 3.2Å; N662-Q664 PolarHBondContact OD1-N 3.4Å; Q664-T666 PolarHBondContact O-N 3.07Å |
| 665 | F | 88.1 | Confident | 90.8 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | trans | -53.4 | 135.5 | 180 | 178.1 | -100.2 | 0 | 0 | 0 | 112.1 | F563 R588 H590 T640 R642 V643 N662 D663 V672 | F563-F665 HydrophobicContact CD1-CB 4.07Å; F563-F665 HydrophobicContact CD2-CD1 4.13Å; F563-F665 HydrophobicContact CE1-CB 3.89Å; F563-F665 HydrophobicContact CE1-CD1 4.19Å; F563-F665 HydrophobicContact CE1-CG 4.28Å; F563-F665 AromaticContact CE2-CD1 3.6Å; F563-F665 HydrophobicContact CE2-CD1 3.6Å; F563-F665 HydrophobicContact CE2-CE1 4.2Å; F563-F665 HydrophobicContact CE2-CG 4.46Å; F563-F665 HydrophobicContact CZ-CB 4.21Å; F563-F665 AromaticContact CZ-CD1 3.63Å; F563-F665 HydrophobicContact CZ-CD1 3.63Å; F563-F665 HydrophobicContact CZ-CE1 4.34Å; F563-F665 HydrophobicContact CZ-CG 4.1Å; R588-F665 PolarHBondContact NH1-O 2.94Å; R588-F665 VanDerWaalsContact NH1-O 3.07Å; H590-F665 AromaticContact CD2-CE1 3.85Å; T640-F665 WeakPolarHBondContact O-CE2 3.26Å; R642-F665 WeakPolarHBondContact O-CD2 3.45Å; V643-F665 HydrophobicContact CG1-CD2 4.14Å; V643-F665 HydrophobicContact CG1-CE1 4.44Å; V643-F665 HydrophobicContact CG1-CE2 4.03Å; V643-F665 HydrophobicContact CG1-CG 4.39Å; V643-F665 HydrophobicContact CG1-CZ 4.2Å; N662-F665 WeakPolarHBondContact O-CB 3Å; N662-F665 PolarHBondContact O-N 2.8Å; D663-F665 VanDerWaalsContact C-N 3.27Å; F665-V672 HydrophobicContact CE1-CG2 4.39Å; F665-V672 HydrophobicContact CZ-CG1 4.17Å; F665-V672 HydrophobicContact CZ-CG2 4.27Å | ||
| 666 | T | 83.7 | Confident | 89.9 | Confident | 87 Ų | 87 | 66.2 Ų | 66.2 | 53% | 0.534 | 34% | 0.336 | S | S | . | . | trans | -141.5 | 145.3 | 175.2 | 55.7 | 0 | 0 | 0 | 0 | 110.5 | Q664 | Q664-T666 PolarHBondContact O-N 3.07Š| ||
| 667 | S | 86.6 | Confident | 88.6 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 21% | 0.21 | 34% | 0.336 | C | S | . | . | trans | -143.7 | 144.1 | 173.2 | 169.5 | 0 | 0 | 0 | 0 | 110 | L669 V672 | S667-L669 PolarHBondContact O-N 3.48Å; S667-L669 PolarHBondContact OG-N 3.45Å; S667-L669 PolarHBondContact OG-O 3.45Å; S667-V672 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 668 | K | 88.2 | Confident | 86.6 | Confident | 220 Ų | 220 | 71 Ų | 71 | 96% | 0.957 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -68.2 | -21.6 | 170.8 | -65.1 | -175.1 | 177.9 | -176 | 0 | 112.5 | ||
| 669 | L | 88.6 | Confident | 84.1 | Confident | 118 Ų | 118 | 70.5 Ų | 70.5 | 62% | 0.618 | 37% | 0.37 | S | S | * | . | trans | -101.1 | 133 | -179.5 | -58.6 | 176.1 | 0 | 0 | 0 | 110.2 | H590 S667 R671 V672 | H590-L669 PolarHBondContact ND1-O 3.44Å; S667-L669 PolarHBondContact O-N 3.48Å; S667-L669 PolarHBondContact OG-N 3.45Å; S667-L669 PolarHBondContact OG-O 3.45Å; L669-R671 WeakPolarHBondContact CB-O 3.38Å; L669-V672 VanDerWaalsContact O-CG2 3.3Å; L669-V672 WeakPolarHBondContact O-CG2 2.84Å | ||
| 670 | H | 90.2 | Very high | 81.6 | Confident | 115 Ų | 115 | 80.1 Ų | 80.1 | 53% | 0.532 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -65 | -44.9 | 172.8 | 178.2 | -99.8 | 0 | 0 | 0 | 111.8 | H590 I591 | H590-H670 WeakPolarHBondContact CA-O 3.3Å; H590-H670 PolarHBondContact ND1-O 3.26Å; I591-H670 PolarHBondContact N-O 3.27Å |
| 671 | R | 93.2 | Very high | 79.6 | Confident | 133 Ų | 133 | 87.1 Ų | 87.1 | 50% | 0.502 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 115.2 | 169.1 | -73.7 | -176.8 | 166.1 | -111.8 | -1.9 | 109.2 | D558 I591 L669 | D558-R671 IonicContact OD2-CZ 3.96Å; D558-R671 IonicContact OD2-NH1 2.77Å; D558-R671 PolarHBondContact OD2-NH1 2.93Å; D558-R671 IonicContact OD2-NH2 3.96Å; I591-R671 HydrophobicContact CB-CG 3.92Å; I591-R671 HydrophobicContact CD1-CG 4.11Å; I591-R671 HydrophobicContact CG1-CG 4.48Å; I591-R671 HydrophobicContact CG2-CG 4.3Å; I591-R671 CarbonylContact O-C 3.57Å; I591-R671 WeakPolarHBondContact O-CA 3.36Å; L669-R671 WeakPolarHBondContact CB-O 3.38Å |
| 672 | V | 92.9 | Very high | 78.1 | Confident | 7 Ų | 7 | 86 Ų | 86 | 4% | 0.042 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.6 | -179.2 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | H590 I591 L592 Q593 F665 S667 L669 I674 | H590-V672 HydrophobicContact CB-CG2 4.44Å; I591-V672 PolarHBondContact O-N 3.04Å; L592-V672 CarbonylContact C-O 3.55Å; L592-V672 WeakPolarHBondContact CA-O 3.36Å; L592-V672 HydrophobicContact CD2-CB 4.07Å; Q593-V672 PolarHBondContact N-O 3.38Å; F665-V672 HydrophobicContact CE1-CG2 4.39Å; F665-V672 HydrophobicContact CZ-CG1 4.17Å; F665-V672 HydrophobicContact CZ-CG2 4.27Å; S667-V672 WeakPolarHBondContact OG-CG2 3.46Å; L669-V672 VanDerWaalsContact O-CG2 3.3Å; L669-V672 WeakPolarHBondContact O-CG2 2.84Å; V672-I674 HydrophobicContact CG1-CD1 3.96Å |
| 673 | K | 90.6 | Very high | 77.1 | Confident | 109 Ų | 109 | 86.1 Ų | 86.1 | 47% | 0.474 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 113.5 | 173.5 | -174.6 | 168.6 | -171.8 | 157.5 | 0 | 110.6 | Q593 Q675 | Q593-K673 HydrophobicContact CB-CB 4.42Å; Q593-K673 HydrophobicContact CB-CG 4.4Å; K673-Q675 HydrophobicContact CG-CG 4.47Å; K673-Q675 PolarHBondContact O-N 3.34Å |
| 674 | I | 90.9 | Very high | 76.2 | Confident | 7 Ų | 7 | 86.6 Ų | 86.6 | 4% | 0.036 | 45% | 0.446 | C | S | . | . | trans | -82.7 | 107.6 | 173 | -50.5 | -56.4 | 0 | 0 | 0 | 107.2 | Q593 V594 L634 Q641 V643 V672 T676 | Q593-I674 PolarHBondContact O-N 3.08Å; V594-I674 HydrophobicContact CG1-CB 4.03Å; V594-I674 HydrophobicContact CG1-CG1 3.8Å; L634-I674 HydrophobicContact CD2-CG2 4.09Å; Q641-I674 HydrophobicContact CB-CD1 3.9Å; Q641-I674 HydrophobicContact CG-CD1 4.26Å; V643-I674 HydrophobicContact CG1-CD1 4.08Å; V672-I674 HydrophobicContact CG1-CD1 3.96Å; I674-T676 PolarHBondContact O-N 2.89Å | ||
| 675 | Q | 83 | Confident | 75.8 | Confident | 112 Ų | 112 | 84.7 Ų | 84.7 | 52% | 0.523 | 44% | 0.44 | S | S | . | . | trans | -79.6 | 125 | 179.1 | -68.8 | 179.1 | 1.3 | 0 | 0 | 108.2 | K673 V677 | K673-Q675 HydrophobicContact CG-CG 4.47Å; K673-Q675 PolarHBondContact O-N 3.34Å; Q675-V677 PolarHBondContact O-N 3.47Å | ||
| 676 | T | 73.1 | Confident | 75.3 | Confident | 74 Ų | 74 | 89.1 Ų | 89.1 | 45% | 0.454 | 47% | 0.469 | S | S | . | . | trans | -57.9 | 138 | 165.7 | 36.3 | 0 | 0 | 0 | 0 | 109.1 | S633 I674 A678 | S633-T676 WeakPolarHBondContact OG-CA 3.19Å; I674-T676 PolarHBondContact O-N 2.89Å; T676-A678 PolarHBondContact O-N 3.4Å | ||
| 677 | V | 65.6 | Low | 75 | Confident | 73 Ų | 73 | 86.9 Ų | 86.9 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | trans | -58.5 | 101.9 | 173.3 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | Q632 S633 Q675 | Q632-V677 HydrophobicContact CB-CG2 4.25Å; S633-V677 PolarHBondContact OG-N 2.88Å; Q675-V677 PolarHBondContact O-N 3.47Å | ||
| 678 | A | 53.9 | Low | 74.9 | Confident | 79 Ų | 79 | 87.7 Ų | 87.7 | 65% | 0.653 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 143.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110 | T676 K680 | T676-A678 PolarHBondContact O-N 3.4Å; A678-K680 PolarHBondContact O-N 3.21Å |
| 679 | A | 46.3 | Very low | 74.8 | Confident | 48 Ų | 48 | 84.9 Ų | 84.9 | 40% | 0.397 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 128.2 | 155 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q681 | A679-Q681 PolarHBondContact O-N 3.47Š|
| 680 | K | 44.9 | Very low | 74.7 | Confident | 203 Ų | 203 | 84.1 Ų | 84.1 | 88% | 0.883 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -51.5 | 129 | 176.9 | -75.2 | 179.1 | 174.4 | -180 | 0 | 108.6 | A678 G682 | A678-K680 PolarHBondContact O-N 3.21Å; K680-G682 PolarHBondContact O-N 3.27Å |
| 681 | Q | 53.4 | Low | 74.5 | Confident | 169 Ų | 169 | 79 Ų | 79 | 79% | 0.79 | 41% | 0.409 | S | S | * | . | S | Bend | trans | 1.6 | 97.2 | 175 | -69.6 | 177.3 | -18 | 0 | 0 | 115.7 | A679 | A679-Q681 PolarHBondContact O-N 3.47Š|
| 682 | G | 61.7 | Low | 74.3 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 25% | 0.247 | 40% | 0.399 | C | S | . | . | S | Bend | trans | 112.9 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K680 | K680-G682 PolarHBondContact O-N 3.27Š|
| 683 | E | 70.8 | Confident | 74.2 | Confident | 32 Ų | 32 | 80.7 Ų | 80.7 | 15% | 0.15 | 42% | 0.419 | C | S | . | . | trans | -67.8 | 147.1 | 167.6 | -74.7 | -172.7 | 164.4 | 0 | 0 | 109.3 | Y431 Q434 E687 R688 T691 | Y431-E683 HydrophobicContact CE1-CG 4.41Å; Y431-E683 WeakPolarHBondContact CE1-OE2 3.22Å; Q434-E683 PolarHBondContact NE2-OE1 3Å; Q434-E683 PolarHBondContact OE1-OE1 3.01Å; E683-E687 HydrophobicContact CB-CB 3.83Å; E683-E687 HydrophobicContact CG-CB 4.19Å; E683-R688 HydrophobicContact CB-CG 3.62Å; E683-R688 PolarHBondContact O-NE 2.97Å; E683-R688 PolarHBondContact O-NH2 3.35Å; E683-T691 VanDerWaalsContact CD-OG1 3.27Å; E683-T691 PolarHBondContact OE1-OG1 2.98Å; E683-T691 VanDerWaalsContact OE1-OG1 3.04Å; E683-T691 VanDerWaalsContact OE2-CB 3.31Å; E683-T691 WeakPolarHBondContact OE2-CB 3.39Å; E683-T691 PolarHBondContact OE2-OG1 3.25Å | ||
| 684 | S | 70.1 | Confident | 74.1 | Confident | 38 Ų | 38 | 78.1 Ų | 78.1 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | trans | -68.5 | 159.7 | 168.8 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | P686 E687 R688 | S684-P686 VanDerWaalsContact C-CD 3.43Å; S684-P686 VanDerWaalsContact C-N 3.3Å; S684-E687 PolarHBondContact N-OE2 3.15Å; S684-E687 WeakPolarHBondContact O-CA 3.34Å; S684-E687 WeakPolarHBondContact O-CB 3.19Å; S684-E687 PolarHBondContact O-N 2.97Å; S684-E687 WeakPolarHBondContact OG-CG 3.16Å; S684-E687 PolarHBondContact OG-OE2 3.46Å; S684-R688 PolarHBondContact O-N 2.83Å | ||
| 685 | D | 75.2 | Confident | 74.2 | Confident | 98 Ų | 98 | 78 Ų | 78 | 52% | 0.524 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -53.5 | -39.1 | -179.8 | -66.1 | -19.6 | 0 | 0 | 0 | 114.1 | R688 K689 | D685-R688 IonicContact OD1-CZ 2.74Å; D685-R688 IonicContact OD1-NH1 3.88Å; D685-R688 PolarHBondContact OD1-NH1 2.79Å; D685-R688 IonicContact OD1-NH2 3.38Å; D685-K689 WeakPolarHBondContact O-CG 3.39Å; D685-K689 PolarHBondContact O-N 3.13Å; D685-K689 VanDerWaalsContact O-N 3.11Å |
| 686 | P | 78.1 | Confident | 74.6 | Confident | 96 Ų | 96 | 75.3 Ų | 75.3 | 62% | 0.623 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 172.8 | -22.4 | 34.4 | 0 | 0 | 0 | 113.2 | S684 K689 E690 | S684-P686 VanDerWaalsContact C-CD 3.43Å; S684-P686 VanDerWaalsContact C-N 3.3Å; P686-K689 PolarHBondContact O-N 3.07Å; P686-E690 PolarHBondContact O-N 3.48Å |
| 687 | E | 78.4 | Confident | 75.5 | Confident | 39 Ų | 39 | 74.4 Ų | 74.4 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 178.4 | -73.9 | 160 | 177.3 | 0 | 0 | 110.9 | R625 E683 S684 K689 E690 T691 | R625-E687 IonicContact CZ-OE1 3.98Å; R625-E687 IonicContact NH1-OE1 3.07Å; R625-E687 IonicContact NH2-OE1 3.83Å; R625-E687 PolarHBondContact NH2-OE1 2.93Å; E683-E687 HydrophobicContact CB-CB 3.83Å; E683-E687 HydrophobicContact CG-CB 4.19Å; S684-E687 PolarHBondContact N-OE2 3.15Å; S684-E687 WeakPolarHBondContact O-CA 3.34Å; S684-E687 WeakPolarHBondContact O-CB 3.19Å; S684-E687 PolarHBondContact O-N 2.97Å; S684-E687 WeakPolarHBondContact OG-CG 3.16Å; S684-E687 PolarHBondContact OG-OE2 3.46Å; E687-K689 VanDerWaalsContact C-N 3.35Å; E687-K689 PolarHBondContact O-N 3.22Å; E687-E690 WeakPolarHBondContact O-CB 3.25Å; E687-E690 PolarHBondContact O-N 2.78Å; E687-T691 WeakPolarHBondContact O-CB 3.42Å; E687-T691 PolarHBondContact O-N 3.5Å; E687-T691 PolarHBondContact O-OG1 3.03Å |
| 688 | R | 84.3 | Confident | 76.7 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 18% | 0.181 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 174.8 | -69.1 | -170.5 | -147.4 | 120 | 17.6 | 112.1 | E386 E683 S684 D685 E690 T691 R692 | E386-R688 IonicContact OE1-NE 2.73Å; E386-R688 WeakPolarHBondContact OE2-CD 3.4Å; E386-R688 IonicContact OE2-NE 2.72Å; E683-R688 HydrophobicContact CB-CG 3.62Å; E683-R688 PolarHBondContact O-NE 2.97Å; E683-R688 PolarHBondContact O-NH2 3.35Å; S684-R688 PolarHBondContact O-N 2.83Å; D685-R688 IonicContact OD1-CZ 2.74Å; D685-R688 IonicContact OD1-NH1 3.88Å; D685-R688 PolarHBondContact OD1-NH1 2.79Å; D685-R688 IonicContact OD1-NH2 3.38Å; R688-E690 VanDerWaalsContact C-N 3.34Å; R688-T691 PolarHBondContact O-N 2.91Å; R688-R692 WeakPolarHBondContact O-CB 3.4Å; R688-R692 PolarHBondContact O-N 2.65Å |
| 689 | K | 85.5 | Confident | 78.6 | Confident | 161 Ų | 161 | 72.2 Ų | 72.2 | 70% | 0.7 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 175.4 | -76.2 | -179.5 | -179.9 | -179.5 | 0 | 111.4 | D685 P686 E687 R692 Q693 | D685-K689 WeakPolarHBondContact O-CG 3.39Å; D685-K689 PolarHBondContact O-N 3.13Å; D685-K689 VanDerWaalsContact O-N 3.11Å; P686-K689 PolarHBondContact O-N 3.07Å; E687-K689 VanDerWaalsContact C-N 3.35Å; E687-K689 PolarHBondContact O-N 3.22Å; K689-R692 PolarHBondContact O-N 3.35Å; K689-Q693 WeakPolarHBondContact O-CB 3.34Å; K689-Q693 PolarHBondContact O-N 3.25Å |
| 690 | E | 86.4 | Confident | 80.9 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 175.5 | -169.2 | -169.8 | 161.2 | 0 | 0 | 111.6 | P686 E687 R688 R692 Q693 K694 | P686-E690 PolarHBondContact O-N 3.48Å; E687-E690 WeakPolarHBondContact O-CB 3.25Å; E687-E690 PolarHBondContact O-N 2.78Å; R688-E690 VanDerWaalsContact C-N 3.34Å; E690-R692 VanDerWaalsContact C-N 3.34Å; E690-R692 PolarHBondContact O-N 3.44Å; E690-Q693 PolarHBondContact O-N 3.3Å; E690-K694 WeakPolarHBondContact O-CG 3.28Å; E690-K694 PolarHBondContact O-N 3.18Å; E690-K694 VanDerWaalsContact OE1-CE 3.25Å; E690-K694 WeakPolarHBondContact OE1-CE 3.43Å; E690-K694 IonicContact OE1-NZ 3.51Å; E690-K694 PolarHBondContact OE1-NZ 3.35Å |
| 691 | T | 85.8 | Confident | 83.3 | Confident | 6 Ų | 6 | 69.8 Ų | 69.8 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 176.1 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | R430 Y431 E683 E687 R688 K694 V695 | R430-T691 HydrophobicContact CG-CG2 3.78Å; Y431-T691 HydrophobicContact CE1-CG2 3.95Å; Y431-T691 HydrophobicContact CE2-CG2 4.35Å; E683-T691 VanDerWaalsContact CD-OG1 3.27Å; E683-T691 PolarHBondContact OE1-OG1 2.98Å; E683-T691 VanDerWaalsContact OE1-OG1 3.04Å; E683-T691 VanDerWaalsContact OE2-CB 3.31Å; E683-T691 WeakPolarHBondContact OE2-CB 3.39Å; E683-T691 PolarHBondContact OE2-OG1 3.25Å; E687-T691 WeakPolarHBondContact O-CB 3.42Å; E687-T691 PolarHBondContact O-N 3.5Å; E687-T691 PolarHBondContact O-OG1 3.03Å; R688-T691 PolarHBondContact O-N 2.91Å; T691-K694 PolarHBondContact O-N 3.31Å; T691-V695 WeakPolarHBondContact O-CG2 3.21Å; T691-V695 PolarHBondContact O-N 3.22Å; T691-V695 VanDerWaalsContact O-N 3.14Å |
| 692 | R | 89 | Confident | 85.2 | Confident | 78 Ų | 78 | 63.8 Ų | 63.8 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.2 | -171.7 | 64 | 169.2 | -136.1 | 12.6 | 111.7 | E424 R688 K689 E690 K694 V695 D696 | E424-R692 VanDerWaalsContact CD-NH2 3.3Å; E424-R692 IonicContact OE1-CZ 2.93Å; E424-R692 IonicContact OE1-NH2 2.68Å; E424-R692 PolarHBondContact OE1-NH2 3.23Å; E424-R692 IonicContact OE2-CZ 3.73Å; E424-R692 IonicContact OE2-NH1 3.14Å; E424-R692 PolarHBondContact OE2-NH1 3.45Å; E424-R692 IonicContact OE2-NH2 3.32Å; E424-R692 PolarHBondContact OE2-NH2 3.08Å; R688-R692 WeakPolarHBondContact O-CB 3.4Å; R688-R692 PolarHBondContact O-N 2.65Å; K689-R692 PolarHBondContact O-N 3.35Å; E690-R692 VanDerWaalsContact C-N 3.34Å; E690-R692 PolarHBondContact O-N 3.44Å; R692-K694 VanDerWaalsContact C-N 3.32Å; R692-K694 PolarHBondContact O-N 3.29Å; R692-V695 PolarHBondContact O-N 2.91Å; R692-V695 VanDerWaalsContact O-N 3.15Å; R692-D696 PolarHBondContact O-N 2.93Å |
| 693 | Q | 90.4 | Very high | 86.9 | Confident | 98 Ų | 98 | 62.8 Ų | 62.8 | 46% | 0.458 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 179.1 | -176.3 | 57.6 | 49.1 | 0 | 0 | 111.8 | K689 E690 V695 D696 D697 | K689-Q693 WeakPolarHBondContact O-CB 3.34Å; K689-Q693 PolarHBondContact O-N 3.25Å; E690-Q693 PolarHBondContact O-N 3.3Å; Q693-V695 VanDerWaalsContact C-N 3.35Å; Q693-V695 PolarHBondContact O-N 3.34Å; Q693-D696 PolarHBondContact O-N 2.86Å; Q693-D697 PolarHBondContact NE2-OD1 3.36Å; Q693-D697 VanDerWaalsContact NE2-OD1 3.14Å; Q693-D697 PolarHBondContact NE2-OD2 3.17Å; Q693-D697 VanDerWaalsContact O-CG 3.3Å; Q693-D697 PolarHBondContact O-N 3.02Å |
| 694 | K | 89.4 | Confident | 88.1 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 176.3 | -73.9 | 175.2 | -176.3 | 167.5 | 0 | 112.3 | E690 T691 R692 D696 D697 D698 | E690-K694 WeakPolarHBondContact O-CG 3.28Å; E690-K694 PolarHBondContact O-N 3.18Å; E690-K694 VanDerWaalsContact OE1-CE 3.25Å; E690-K694 WeakPolarHBondContact OE1-CE 3.43Å; E690-K694 IonicContact OE1-NZ 3.51Å; E690-K694 PolarHBondContact OE1-NZ 3.35Å; T691-K694 PolarHBondContact O-N 3.31Å; R692-K694 VanDerWaalsContact C-N 3.32Å; R692-K694 PolarHBondContact O-N 3.29Å; K694-D696 VanDerWaalsContact C-N 3.35Å; K694-D697 PolarHBondContact O-N 3.25Å; K694-D698 PolarHBondContact O-N 3.09Å |
| 695 | V | 91.9 | Very high | 89.3 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 175.6 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | V427 R430 T691 R692 Q693 D697 D698 R699 | V427-V695 HydrophobicContact CG2-CG1 3.87Å; R430-V695 HydrophobicContact CB-CG2 4.05Å; R430-V695 HydrophobicContact CG-CG2 4.13Å; T691-V695 WeakPolarHBondContact O-CG2 3.21Å; T691-V695 PolarHBondContact O-N 3.22Å; T691-V695 VanDerWaalsContact O-N 3.14Å; R692-V695 PolarHBondContact O-N 2.91Å; R692-V695 VanDerWaalsContact O-N 3.15Å; Q693-V695 VanDerWaalsContact C-N 3.35Å; Q693-V695 PolarHBondContact O-N 3.34Å; V695-D697 VanDerWaalsContact C-N 3.29Å; V695-D697 PolarHBondContact O-N 3.18Å; V695-D698 PolarHBondContact O-N 3.44Å; V695-R699 HydrophobicContact CG1-CG 4.41Å; V695-R699 VanDerWaalsContact O-CG 3.29Å; V695-R699 WeakPolarHBondContact O-CG 3.49Å; V695-R699 PolarHBondContact O-N 3.02Å |
| 696 | D | 92 | Very high | 90.3 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 29% | 0.294 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.9 | -31.6 | 178.5 | -70.4 | -28.9 | 0 | 0 | 0 | 112.7 | R692 Q693 K694 R699 K700 | R692-D696 PolarHBondContact O-N 2.93Å; Q693-D696 PolarHBondContact O-N 2.86Å; K694-D696 VanDerWaalsContact C-N 3.35Å; D696-R699 IonicContact OD1-NH1 3.9Å; D696-R699 PolarHBondContact OD1-NH1 3.34Å; D696-K700 WeakPolarHBondContact O-CG 3.36Å; D696-K700 PolarHBondContact O-N 2.79Å |
| 697 | D | 91.9 | Very high | 91.2 | Very high | 54 Ų | 54 | 53.6 Ų | 53.6 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 172.2 | -69.4 | -31.1 | 0 | 0 | 0 | 111.9 | Q693 K694 V695 R699 K700 H701 | Q693-D697 PolarHBondContact NE2-OD1 3.36Å; Q693-D697 VanDerWaalsContact NE2-OD1 3.14Å; Q693-D697 PolarHBondContact NE2-OD2 3.17Å; Q693-D697 VanDerWaalsContact O-CG 3.3Å; Q693-D697 PolarHBondContact O-N 3.02Å; K694-D697 PolarHBondContact O-N 3.25Å; V695-D697 VanDerWaalsContact C-N 3.29Å; V695-D697 PolarHBondContact O-N 3.18Å; D697-R699 VanDerWaalsContact C-N 3.35Å; D697-R699 PolarHBondContact O-N 2.9Å; D697-K700 WeakPolarHBondContact O-CB 3.37Å; D697-K700 PolarHBondContact O-N 3.24Å; D697-K700 IonicContact OD1-NZ 2.73Å; D697-K700 PolarHBondContact OD1-NZ 3.03Å; D697-H701 PolarHBondContact O-CE1 3.48Å; D697-H701 PolarHBondContact O-ND1 2.82Å |
| 698 | D | 91.2 | Very high | 92.1 | Very high | 78 Ų | 78 | 53.2 Ų | 53.2 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.3 | -74.7 | -17.3 | 0 | 0 | 0 | 111 | K694 V695 K700 H701 E702 | K694-D698 PolarHBondContact O-N 3.09Å; V695-D698 PolarHBondContact O-N 3.44Å; D698-K700 VanDerWaalsContact C-N 3.26Å; D698-K700 PolarHBondContact O-N 2.8Å; D698-H701 PolarHBondContact O-N 2.76Å; D698-H701 VanDerWaalsContact O-N 3.09Å; D698-E702 WeakPolarHBondContact O-CG 3.44Å; D698-E702 PolarHBondContact O-N 3.38Å |
| 699 | R | 94.6 | Very high | 92.6 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.2 | -37.5 | 176.9 | -75.6 | 173.8 | 174.7 | 176.8 | -5.2 | 113 | E424 D426 V695 D696 D697 H701 E702 I703 F734 | E424-R699 IonicContact OE1-CZ 3.6Å; E424-R699 VanDerWaalsContact OE1-CZ 3.28Å; E424-R699 IonicContact OE1-NH1 3.12Å; E424-R699 PolarHBondContact OE1-NH1 2.96Å; E424-R699 IonicContact OE1-NH2 3.5Å; E424-R699 PolarHBondContact OE1-NH2 3.25Å; D426-R699 IonicContact OD1-CZ 3.83Å; D426-R699 IonicContact OD1-NE 2.79Å; D426-R699 IonicContact OD1-NH2 2.71Å; D426-R699 PolarHBondContact OD1-NH2 2.93Å; D426-R699 WeakPolarHBondContact OD2-CG 3.48Å; D426-R699 IonicContact OD2-CZ 2.68Å; D426-R699 IonicContact OD2-NE 3.92Å; D426-R699 PolarHBondContact OD2-NE 3.26Å; D426-R699 IonicContact OD2-NH2 3.52Å; D426-R699 PolarHBondContact OD2-NH2 2.84Å; V695-R699 HydrophobicContact CG1-CG 4.41Å; V695-R699 VanDerWaalsContact O-CG 3.29Å; V695-R699 WeakPolarHBondContact O-CG 3.49Å; V695-R699 PolarHBondContact O-N 3.02Å; D696-R699 IonicContact OD1-NH1 3.9Å; D696-R699 PolarHBondContact OD1-NH1 3.34Å; D697-R699 VanDerWaalsContact C-N 3.35Å; D697-R699 PolarHBondContact O-N 2.9Å; R699-H701 VanDerWaalsContact C-N 3.34Å; R699-H701 PolarHBondContact O-N 2.88Å; R699-E702 PolarHBondContact O-N 3.42Å; R699-I703 WeakPolarHBondContact O-CB 3.25Å; R699-I703 VanDerWaalsContact O-CG1 3.22Å; R699-I703 WeakPolarHBondContact O-CG1 3.45Å; R699-I703 PolarHBondContact O-N 2.97Å; R699-F734 HydrophobicContact CB-CE1 4.45Å; R699-F734 HydrophobicContact CB-CE2 4.17Å; R699-F734 HydrophobicContact CB-CZ 3.94Å; R699-F734 HydrophobicContact CG-CD1 4.12Å; R699-F734 HydrophobicContact CG-CD2 4.17Å; R699-F734 HydrophobicContact CG-CE1 3.87Å; R699-F734 HydrophobicContact CG-CE2 3.89Å; R699-F734 HydrophobicContact CG-CG 4.28Å; R699-F734 HydrophobicContact CG-CZ 3.74Å |
| 700 | K | 94.6 | Very high | 93.1 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 177.9 | -67.8 | 165.2 | -168 | 166.1 | 0 | 110.8 | D696 D697 D698 I703 E704 | D696-K700 WeakPolarHBondContact O-CG 3.36Å; D696-K700 PolarHBondContact O-N 2.79Å; D697-K700 WeakPolarHBondContact O-CB 3.37Å; D697-K700 PolarHBondContact O-N 3.24Å; D697-K700 IonicContact OD1-NZ 2.73Å; D697-K700 PolarHBondContact OD1-NZ 3.03Å; D698-K700 VanDerWaalsContact C-N 3.26Å; D698-K700 PolarHBondContact O-N 2.8Å; K700-I703 PolarHBondContact O-N 2.84Å; K700-E704 WeakPolarHBondContact O-CG 3.49Å; K700-E704 PolarHBondContact O-N 3.42Å; K700-E704 VanDerWaalsContact O-N 3.1Å |
| 701 | H | 94 | Very high | 93.7 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 56% | 0.56 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -67.1 | -39.2 | -180 | -57.6 | 96.7 | 0 | 0 | 0 | 111.4 | D697 D698 R699 E704 A705 | D697-H701 PolarHBondContact O-CE1 3.48Å; D697-H701 PolarHBondContact O-ND1 2.82Å; D698-H701 PolarHBondContact O-N 2.76Å; D698-H701 VanDerWaalsContact O-N 3.09Å; R699-H701 VanDerWaalsContact C-N 3.34Å; R699-H701 PolarHBondContact O-N 2.88Å; H701-E704 PolarHBondContact O-N 2.87Å; H701-A705 WeakPolarHBondContact O-CB 3.5Å; H701-A705 PolarHBondContact O-N 2.98Å |
| 702 | E | 93.7 | Very high | 94.2 | Very high | 43 Ų | 43 | 51 Ų | 51 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 177.8 | -67.9 | -171.2 | -172.2 | 0 | 0 | 112.8 | D698 R699 A705 A706 R733 F734 | D698-E702 WeakPolarHBondContact O-CG 3.44Å; D698-E702 PolarHBondContact O-N 3.38Å; R699-E702 PolarHBondContact O-N 3.42Å; E702-A705 PolarHBondContact O-N 3.4Å; E702-A706 WeakPolarHBondContact O-CB 3.39Å; E702-A706 PolarHBondContact O-N 2.71Å; E702-R733 IonicContact OE1-CZ 3.58Å; E702-R733 VanDerWaalsContact OE1-CZ 3.25Å; E702-R733 IonicContact OE1-NH1 3.42Å; E702-R733 PolarHBondContact OE1-NH1 3.43Å; E702-R733 IonicContact OE1-NH2 3.92Å; E702-R733 PolarHBondContact OE1-NH2 3.34Å; E702-R733 IonicContact OE2-CZ 3.86Å; E702-R733 IonicContact OE2-NE 2.76Å; E702-R733 IonicContact OE2-NH1 3.95Å; E702-R733 PolarHBondContact OE2-NH1 2.82Å; E702-F734 HydrophobicContact CB-CE1 4.43Å |
| 703 | I | 96.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 174.8 | -67.2 | 166 | 0 | 0 | 0 | 110.5 | R699 K700 A705 A706 I707 V726 L730 F734 P736 V740 I741 R744 | R699-I703 WeakPolarHBondContact O-CB 3.25Å; R699-I703 VanDerWaalsContact O-CG1 3.22Å; R699-I703 WeakPolarHBondContact O-CG1 3.45Å; R699-I703 PolarHBondContact O-N 2.97Å; K700-I703 PolarHBondContact O-N 2.84Å; I703-A705 VanDerWaalsContact C-N 3.35Å; I703-A705 PolarHBondContact O-N 3.29Å; I703-A706 PolarHBondContact O-N 2.99Å; I703-I707 HydrophobicContact CG2-CD1 3.69Å; I703-I707 HydrophobicContact CG2-CG1 4.34Å; I703-I707 VanDerWaalsContact O-CG1 3.26Å; I703-I707 WeakPolarHBondContact O-CG1 3.45Å; I703-I707 PolarHBondContact O-N 2.82Å; I703-V726 HydrophobicContact CG2-CG1 4.43Å; I703-L730 HydrophobicContact CB-CD1 4.34Å; I703-L730 HydrophobicContact CG1-CD1 3.66Å; I703-F734 HydrophobicContact CD1-CE2 4.11Å; I703-F734 HydrophobicContact CD1-CZ 4.29Å; I703-F734 HydrophobicContact CG1-CE2 4.16Å; I703-F734 HydrophobicContact CG1-CZ 3.93Å; I703-P736 HydrophobicContact CD1-CB 4.14Å; I703-P736 HydrophobicContact CG1-CB 4.37Å; I703-V740 HydrophobicContact CD1-CB 4.49Å; I703-V740 HydrophobicContact CD1-CG1 3.6Å; I703-I741 HydrophobicContact CG2-CG1 4.2Å; I703-R744 HydrophobicContact CB-CG 4.13Å; I703-R744 HydrophobicContact CG2-CB 3.86Å; I703-R744 HydrophobicContact CG2-CG 3.68Å |
| 704 | E | 96.5 | Very high | 94.7 | Very high | 24 Ų | 24 | 54 Ų | 54 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 177.5 | -72 | 176.5 | -169 | 0 | 0 | 111.7 | K700 H701 A706 I707 V708 R744 L748 R751 | K700-E704 WeakPolarHBondContact O-CG 3.49Å; K700-E704 PolarHBondContact O-N 3.42Å; K700-E704 VanDerWaalsContact O-N 3.1Å; H701-E704 PolarHBondContact O-N 2.87Å; E704-A706 VanDerWaalsContact C-N 3.32Å; E704-A706 PolarHBondContact O-N 3.08Å; E704-I707 PolarHBondContact O-N 3.39Å; E704-V708 WeakPolarHBondContact O-CG2 3.43Å; E704-V708 PolarHBondContact O-N 2.75Å; E704-R744 HydrophobicContact CG-CB 3.99Å; E704-R744 HydrophobicContact CG-CG 4.15Å; E704-R744 VanDerWaalsContact OE1-CD 3.29Å; E704-R744 WeakPolarHBondContact OE1-CD 3.41Å; E704-R744 IonicContact OE1-CZ 2.59Å; E704-R744 IonicContact OE1-NE 3.66Å; E704-R744 IonicContact OE1-NH1 3.2Å; E704-R744 PolarHBondContact OE1-NH1 3.24Å; E704-L748 HydrophobicContact CB-CD1 4.43Å; E704-L748 HydrophobicContact CG-CD1 4.42Å; E704-L748 HydrophobicContact CG-CG 4.43Å; E704-R751 IonicContact OE1-NH2 2.73Å; E704-R751 PolarHBondContact OE1-NH2 3Å; E704-R751 IonicContact OE2-CZ 2.8Å; E704-R751 IonicContact OE2-NH1 2.7Å; E704-R751 PolarHBondContact OE2-NH1 3.44Å; E704-R751 IonicContact OE2-NH2 2.82Å; E704-R751 PolarHBondContact OE2-NH2 3.4Å |
| 705 | A | 95.1 | Very high | 95 | Very high | 48 Ų | 48 | 56.9 Ų | 56.9 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | H701 E702 I703 R709 | H701-A705 WeakPolarHBondContact O-CB 3.5Å; H701-A705 PolarHBondContact O-N 2.98Å; E702-A705 PolarHBondContact O-N 3.4Å; I703-A705 VanDerWaalsContact C-N 3.35Å; I703-A705 PolarHBondContact O-N 3.29Å; A705-R709 WeakPolarHBondContact O-CB 3.35Å; A705-R709 PolarHBondContact O-N 2.86Å; A705-R709 VanDerWaalsContact O-N 3.13Å |
| 706 | A | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.2 | -50.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E702 I703 E704 V708 R709 I710 V726 L730 | E702-A706 WeakPolarHBondContact O-CB 3.39Å; E702-A706 PolarHBondContact O-N 2.71Å; I703-A706 PolarHBondContact O-N 2.99Å; E704-A706 VanDerWaalsContact C-N 3.32Å; E704-A706 PolarHBondContact O-N 3.08Å; A706-V708 PolarHBondContact O-N 2.86Å; A706-R709 PolarHBondContact O-N 3.04Å; A706-I710 WeakPolarHBondContact O-CG1 3.24Å; A706-I710 PolarHBondContact O-N 3.28Å; A706-V726 HydrophobicContact CB-CG1 4.43Å; A706-L730 HydrophobicContact CB-CD1 4.15Å; A706-L730 HydrophobicContact CB-CD2 4.15Å; A706-L730 HydrophobicContact CB-CG 4.17Å |
| 707 | I | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.4 | -50.6 | 177.3 | -67.4 | 161.9 | 0 | 0 | 0 | 110.5 | I703 E704 R709 I710 M711 L722 V726 I741 R744 I745 L748 L754 | I703-I707 HydrophobicContact CG2-CD1 3.69Å; I703-I707 HydrophobicContact CG2-CG1 4.34Å; I703-I707 VanDerWaalsContact O-CG1 3.26Å; I703-I707 WeakPolarHBondContact O-CG1 3.45Å; I703-I707 PolarHBondContact O-N 2.82Å; E704-I707 PolarHBondContact O-N 3.39Å; I707-R709 PolarHBondContact O-N 3.42Å; I707-I710 PolarHBondContact O-N 2.9Å; I707-M711 HydrophobicContact CG2-CG 4.28Å; I707-M711 WeakPolarHBondContact O-CB 3.2Å; I707-M711 WeakPolarHBondContact O-CG 3.29Å; I707-M711 PolarHBondContact O-N 3.41Å; I707-L722 HydrophobicContact CG2-CD2 4.38Å; I707-V726 HydrophobicContact CG1-CG1 4.4Å; I707-V726 HydrophobicContact CG1-CG2 3.68Å; I707-I741 HydrophobicContact CD1-CG2 4.29Å; I707-R744 HydrophobicContact CD1-CB 3.8Å; I707-I745 HydrophobicContact CD1-CG1 3.86Å; I707-I745 HydrophobicContact CG1-CG1 4.49Å; I707-I745 HydrophobicContact CG2-CG1 4.43Å; I707-L748 HydrophobicContact CB-CD1 3.8Å; I707-L748 HydrophobicContact CD1-CD1 4.08Å; I707-L748 HydrophobicContact CG2-CD1 3.51Å; I707-L754 HydrophobicContact CG2-CD1 3.73Å |
| 708 | V | 97 | Very high | 95.7 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | -179 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | E704 A706 K712 L748 Y753 Y766 | E704-V708 WeakPolarHBondContact O-CG2 3.43Å; E704-V708 PolarHBondContact O-N 2.75Å; A706-V708 PolarHBondContact O-N 2.86Å; V708-K712 WeakPolarHBondContact O-CB 2.96Å; V708-K712 PolarHBondContact O-N 3.39Å; V708-L748 HydrophobicContact CG2-CD1 4.03Å; V708-L748 HydrophobicContact CG2-CD2 3.69Å; V708-Y753 HydrophobicContact CG2-CD1 4.28Å; V708-Y766 HydrophobicContact CG1-CE2 4.17Å |
| 709 | R | 95.7 | Very high | 96 | Very high | 133 Ų | 133 | 59.7 Ų | 59.7 | 50% | 0.502 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 176.8 | -108.5 | -176.7 | -63.5 | -170.5 | 0.7 | 112.4 | A705 A706 I707 S713 | A705-R709 WeakPolarHBondContact O-CB 3.35Å; A705-R709 PolarHBondContact O-N 2.86Å; A705-R709 VanDerWaalsContact O-N 3.13Å; A706-R709 PolarHBondContact O-N 3.04Å; I707-R709 PolarHBondContact O-N 3.42Å; R709-S713 PolarHBondContact O-N 3.16Å |
| 710 | I | 96.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 63.7 Ų | 63.7 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -52.6 | -179.7 | -69.7 | 163.5 | 0 | 0 | 0 | 109.7 | A706 I707 K712 S713 R714 M717 L722 E725 V726 | A706-I710 WeakPolarHBondContact O-CG1 3.24Å; A706-I710 PolarHBondContact O-N 3.28Å; I707-I710 PolarHBondContact O-N 2.9Å; I710-K712 VanDerWaalsContact C-N 3.35Å; I710-K712 PolarHBondContact O-N 3.03Å; I710-S713 PolarHBondContact O-N 3.4Å; I710-S713 VanDerWaalsContact O-N 3.17Å; I710-R714 HydrophobicContact CG2-CG 4.33Å; I710-R714 WeakPolarHBondContact O-CB 3.42Å; I710-R714 WeakPolarHBondContact O-CG 3.48Å; I710-R714 PolarHBondContact O-N 3.07Å; I710-M717 HydrophobicContact CG2-CE 3.81Å; I710-M717 HydrophobicContact CG2-SD 3.98Å; I710-L722 HydrophobicContact CB-CD1 4.24Å; I710-L722 HydrophobicContact CG2-CD1 3.72Å; I710-E725 HydrophobicContact CD1-CB 4.01Å; I710-E725 HydrophobicContact CG2-CB 4.49Å; I710-E725 VanDerWaalsContact CG2-OE2 3.24Å; I710-E725 WeakPolarHBondContact CG2-OE2 3.38Å; I710-V726 HydrophobicContact CD1-CB 4.35Å; I710-V726 HydrophobicContact CD1-CG2 3.63Å |
| 711 | M | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.5 | -36.8 | -177.1 | -73.5 | -59.2 | -60.2 | 0 | 0 | 112.4 | I707 S713 R714 K715 M717 L722 L754 Y764 Y766 | I707-M711 HydrophobicContact CG2-CG 4.28Å; I707-M711 WeakPolarHBondContact O-CB 3.2Å; I707-M711 WeakPolarHBondContact O-CG 3.29Å; I707-M711 PolarHBondContact O-N 3.41Å; M711-S713 VanDerWaalsContact C-N 3.28Å; M711-S713 PolarHBondContact O-N 2.87Å; M711-R714 PolarHBondContact O-N 3.33Å; M711-K715 VanDerWaalsContact O-CA 3.32Å; M711-K715 WeakPolarHBondContact O-CA 3.39Å; M711-K715 PolarHBondContact O-N 3.41Å; M711-M717 HydrophobicContact CE-CB 4.46Å; M711-M717 HydrophobicContact SD-CB 3.73Å; M711-L722 HydrophobicContact CG-CD1 4.02Å; M711-L722 HydrophobicContact CG-CD2 4.14Å; M711-L722 HydrophobicContact SD-CD1 4.05Å; M711-L722 HydrophobicContact SD-CD2 3.98Å; M711-L754 HydrophobicContact CB-CD2 3.53Å; M711-L754 HydrophobicContact CE-CD2 3.95Å; M711-L754 HydrophobicContact CG-CD1 4.41Å; M711-L754 HydrophobicContact CG-CD2 3.57Å; M711-Y764 WeakPolarHBondContact CE-O 3.39Å; M711-Y766 HydrophobicContact CB-CD2 3.94Å; M711-Y766 HydrophobicContact CB-CG 4.39Å; M711-Y766 WeakPolarHBondContact O-CB 3.46Å |
| 712 | K | 96.3 | Very high | 96.3 | Very high | 121 Ų | 121 | 57.4 Ų | 57.4 | 53% | 0.526 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 174.8 | -177 | 171.1 | -176.4 | 172.1 | 0 | 112.6 | V708 I710 K715 Y766 | V708-K712 WeakPolarHBondContact O-CB 2.96Å; V708-K712 PolarHBondContact O-N 3.39Å; I710-K712 VanDerWaalsContact C-N 3.35Å; I710-K712 PolarHBondContact O-N 3.03Å; K712-K715 WeakPolarHBondContact O-CD 3.28Å; K712-K715 WeakPolarHBondContact O-CE 3.47Å; K712-K715 PolarHBondContact O-NZ 2.95Å; K712-Y766 HydrophobicContact CB-CD1 4.26Å; K712-Y766 HydrophobicContact CB-CD2 4.35Å; K712-Y766 HydrophobicContact CB-CE1 3.86Å; K712-Y766 HydrophobicContact CB-CE2 4.01Å; K712-Y766 HydrophobicContact CB-CG 4.48Å; K712-Y766 HydrophobicContact CD-CE1 4.38Å; K712-Y766 HydrophobicContact CG-CD1 4.43Å; K712-Y766 HydrophobicContact CG-CE1 3.76Å |
| 713 | S | 95.7 | Very high | 96.5 | Very high | 94 Ų | 94 | 56.1 Ų | 56.1 | 66% | 0.657 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -76.8 | -46.5 | 178 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | R709 I710 M711 | R709-S713 PolarHBondContact O-N 3.16Å; I710-S713 PolarHBondContact O-N 3.4Å; I710-S713 VanDerWaalsContact O-N 3.17Å; M711-S713 VanDerWaalsContact C-N 3.28Å; M711-S713 PolarHBondContact O-N 2.87Å |
| 714 | R | 95.7 | Very high | 96.5 | Very high | 145 Ų | 145 | 58.8 Ų | 58.8 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -87.8 | -19.5 | -169.6 | -61.9 | -77.2 | -155.1 | -170.6 | 7.6 | 113.8 | I710 M711 K716 M717 E725 | I710-R714 HydrophobicContact CG2-CG 4.33Å; I710-R714 WeakPolarHBondContact O-CB 3.42Å; I710-R714 WeakPolarHBondContact O-CG 3.48Å; I710-R714 PolarHBondContact O-N 3.07Å; M711-R714 PolarHBondContact O-N 3.33Å; R714-K716 PolarHBondContact O-N 3.5Å; R714-M717 HydrophobicContact CB-CE 3.63Å; R714-M717 HydrophobicContact CG-CE 3.42Å; R714-M717 VanDerWaalsContact CG-CE 3.42Å; R714-E725 IonicContact CZ-OE1 3.25Å; R714-E725 IonicContact NE-OE1 3.84Å; R714-E725 IonicContact NE-OE2 2.81Å; R714-E725 IonicContact NH2-OE1 2.64Å; R714-E725 PolarHBondContact NH2-OE1 3.02Å |
| 715 | K | 95.2 | Very high | 96.5 | Very high | 117 Ų | 117 | 60.2 Ų | 60.2 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 64 | -42.4 | -179.9 | -54.4 | -57.5 | -172.4 | -171.1 | 0 | 116 | M711 K712 T765 Y766 | M711-K715 VanDerWaalsContact O-CA 3.32Å; M711-K715 WeakPolarHBondContact O-CA 3.39Å; M711-K715 PolarHBondContact O-N 3.41Å; K712-K715 WeakPolarHBondContact O-CD 3.28Å; K712-K715 WeakPolarHBondContact O-CE 3.47Å; K712-K715 PolarHBondContact O-NZ 2.95Å; K715-T765 CarbonylContact O-C 3.55Å; K715-T765 VanDerWaalsContact O-CA 3.26Å; K715-T765 WeakPolarHBondContact O-CA 3.37Å; K715-Y766 PolarHBondContact O-N 3.28Å |
| 716 | K | 96.4 | Very high | 96.6 | Very high | 119 Ų | 119 | 58 Ų | 58 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 130.9 | 178.9 | -175.3 | 171.8 | 176.6 | 164.2 | 0 | 109.6 | R714 T757 V763 Y764 T765 | R714-K716 PolarHBondContact O-N 3.5Å; K716-T757 HydrophobicContact CD-CG2 4.47Å; K716-V763 HydrophobicContact CD-CG1 4.21Å; K716-V763 HydrophobicContact CG-CG1 3.64Å; K716-Y764 CarbonylContact C-O 3.58Å; K716-Y764 VanDerWaalsContact CA-O 3.28Å; K716-Y764 WeakPolarHBondContact CA-O 3.38Å; K716-T765 HydrophobicContact CB-CG2 4.27Å; K716-T765 HydrophobicContact CD-CG2 4.37Å; K716-T765 HydrophobicContact CG-CG2 4.09Å |
| 717 | M | 96.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 144 | -178.7 | -165.8 | 172.2 | -76.4 | 0 | 0 | 112.8 | I710 M711 R714 V721 L722 E725 Y764 | I710-M717 HydrophobicContact CG2-CE 3.81Å; I710-M717 HydrophobicContact CG2-SD 3.98Å; M711-M717 HydrophobicContact CE-CB 4.46Å; M711-M717 HydrophobicContact SD-CB 3.73Å; R714-M717 HydrophobicContact CB-CE 3.63Å; R714-M717 HydrophobicContact CG-CE 3.42Å; R714-M717 VanDerWaalsContact CG-CE 3.42Å; M717-V721 HydrophobicContact CG-CB 4.07Å; M717-V721 HydrophobicContact CG-CG1 4.06Å; M717-V721 HydrophobicContact SD-CB 4.42Å; M717-V721 HydrophobicContact SD-CG1 4.04Å; M717-L722 HydrophobicContact CG-CB 4.08Å; M717-L722 WeakPolarHBondContact SD-CA 3.16Å; M717-L722 HydrophobicContact SD-CB 3.7Å; M717-L722 HydrophobicContact SD-CD1 3.93Å; M717-L722 HydrophobicContact SD-CG 4.42Å; M717-E725 WeakPolarHBondContact CE-OE2 3.25Å; M717-Y764 PolarHBondContact N-O 3.28Å; M717-Y764 PolarHBondContact O-N 2.89Å |
| 718 | Q | 97.3 | Very high | 96.4 | Very high | 83 Ų | 83 | 65.8 Ų | 65.8 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 146.1 | 173.5 | -160.2 | -160.2 | 23.6 | 0 | 0 | 111.3 | N720 V721 L722 K762 V763 | Q718-N720 PolarHBondContact O-N 2.96Å; Q718-V721 HydrophobicContact CB-CG2 4.22Å; Q718-V721 PolarHBondContact O-N 3.33Å; Q718-V721 VanDerWaalsContact O-N 3.14Å; Q718-L722 PolarHBondContact O-N 2.95Å; Q718-K762 CarbonylContact C-O 3.29Å; Q718-K762 WeakPolarHBondContact CA-O 3.43Å; Q718-V763 HydrophobicContact CB-CG2 4.48Å; Q718-V763 HydrophobicContact CG-CG2 4.28Å |
| 719 | H | 96.9 | Very high | 96.2 | Very high | 35 Ų | 35 | 68.3 Ų | 68.3 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -50.1 | -52.3 | -177.1 | -179.4 | 85.1 | 0 | 0 | 0 | 113.7 | V721 L722 V723 K762 Y764 | H719-V721 VanDerWaalsContact C-N 3.31Å; H719-V721 PolarHBondContact O-N 3.05Å; H719-L722 PolarHBondContact O-N 3.41Å; H719-V723 VanDerWaalsContact O-CG2 3.31Å; H719-V723 WeakPolarHBondContact O-CG2 3.28Å; H719-V723 PolarHBondContact O-N 3.13Å; H719-K762 PolarHBondContact N-O 3.44Å; H719-Y764 HydrophobicContact CB-CE2 3.7Å; H719-Y764 AromaticContact CG-CE2 3.97Å; H719-Y764 AromaticContact ND1-CE2 3.44Å; H719-Y764 WeakPolarHBondContact ND1-CE2 3.46Å; H719-Y764 AromaticContact ND1-CZ 3.63Å; H719-Y764 PolarHBondContact ND1-OH 3.29Å |
| 720 | N | 96.6 | Very high | 96.1 | Very high | 113 Ų | 113 | 62.6 Ų | 62.6 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.8 | -37.2 | -177 | -69.6 | -13.2 | 0 | 0 | 0 | 112 | Q718 A724 | Q718-N720 PolarHBondContact O-N 2.96Å; N720-A724 WeakPolarHBondContact O-CB 3.39Å; N720-A724 PolarHBondContact O-N 2.91Å |
| 721 | V | 96.9 | Very high | 95.7 | Very high | 66 Ų | 66 | 67.6 Ų | 67.6 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | M717 Q718 H719 A724 E725 | M717-V721 HydrophobicContact CG-CB 4.07Å; M717-V721 HydrophobicContact CG-CG1 4.06Å; M717-V721 HydrophobicContact SD-CB 4.42Å; M717-V721 HydrophobicContact SD-CG1 4.04Å; Q718-V721 HydrophobicContact CB-CG2 4.22Å; Q718-V721 PolarHBondContact O-N 3.33Å; Q718-V721 VanDerWaalsContact O-N 3.14Å; H719-V721 VanDerWaalsContact C-N 3.31Å; H719-V721 PolarHBondContact O-N 3.05Å; V721-A724 PolarHBondContact O-N 3.37Å; V721-E725 PolarHBondContact O-N 3.08Å |
| 722 | L | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.3 | 179.2 | 59.9 | 0 | 0 | 0 | 111.8 | I707 I710 M711 M717 Q718 H719 A724 E725 V726 I745 Y764 | I707-L722 HydrophobicContact CG2-CD2 4.38Å; I710-L722 HydrophobicContact CB-CD1 4.24Å; I710-L722 HydrophobicContact CG2-CD1 3.72Å; M711-L722 HydrophobicContact CG-CD1 4.02Å; M711-L722 HydrophobicContact CG-CD2 4.14Å; M711-L722 HydrophobicContact SD-CD1 4.05Å; M711-L722 HydrophobicContact SD-CD2 3.98Å; M717-L722 HydrophobicContact CG-CB 4.08Å; M717-L722 WeakPolarHBondContact SD-CA 3.16Å; M717-L722 HydrophobicContact SD-CB 3.7Å; M717-L722 HydrophobicContact SD-CD1 3.93Å; M717-L722 HydrophobicContact SD-CG 4.42Å; Q718-L722 PolarHBondContact O-N 2.95Å; H719-L722 PolarHBondContact O-N 3.41Å; L722-A724 VanDerWaalsContact C-N 3.29Å; L722-A724 PolarHBondContact O-N 3.37Å; L722-E725 PolarHBondContact O-N 3.49Å; L722-V726 HydrophobicContact CD1-CG2 3.91Å; L722-V726 HydrophobicContact CG-CG2 4.3Å; L722-V726 WeakPolarHBondContact O-CB 3.22Å; L722-V726 WeakPolarHBondContact O-CG2 3.37Å; L722-V726 PolarHBondContact O-N 3.01Å; L722-I745 HydrophobicContact CD2-CD1 3.75Å; L722-I745 HydrophobicContact CD2-CG1 4.24Å; L722-I745 HydrophobicContact CG-CD1 4.41Å; L722-Y764 HydrophobicContact CD2-CD2 3.89Å; L722-Y764 HydrophobicContact CD2-CE2 4.37Å |
| 723 | V | 97.2 | Very high | 94.9 | Very high | 17 Ų | 17 | 67.2 Ų | 67.2 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | H719 T727 P738 I741 | H719-V723 VanDerWaalsContact O-CG2 3.31Å; H719-V723 WeakPolarHBondContact O-CG2 3.28Å; H719-V723 PolarHBondContact O-N 3.13Å; V723-T727 WeakPolarHBondContact O-CB 3.43Å; V723-T727 PolarHBondContact O-N 3.27Å; V723-T727 PolarHBondContact O-OG1 2.83Å; V723-P738 HydrophobicContact CG1-CB 4.12Å; V723-P738 HydrophobicContact CG1-CG 4.47Å; V723-I741 HydrophobicContact CG1-CD1 4.1Å; V723-I741 HydrophobicContact CG2-CG2 3.99Å |
| 724 | A | 96.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 63 Ų | 63 | 49% | 0.488 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N720 V721 L722 T727 Q728 | N720-A724 WeakPolarHBondContact O-CB 3.39Å; N720-A724 PolarHBondContact O-N 2.91Å; V721-A724 PolarHBondContact O-N 3.37Å; L722-A724 VanDerWaalsContact C-N 3.29Å; L722-A724 PolarHBondContact O-N 3.37Å; A724-T727 PolarHBondContact O-N 3.38Å; A724-Q728 WeakPolarHBondContact O-CB 3.42Å; A724-Q728 PolarHBondContact O-N 3.2Å |
| 725 | E | 96.6 | Very high | 94.5 | Very high | 54 Ų | 54 | 60.6 Ų | 60.6 | 25% | 0.252 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 177.8 | -76.6 | -160.1 | 179.9 | 0 | 0 | 111.8 | I710 R714 M717 V721 L722 Q728 Q729 | I710-E725 HydrophobicContact CD1-CB 4.01Å; I710-E725 HydrophobicContact CG2-CB 4.49Å; I710-E725 VanDerWaalsContact CG2-OE2 3.24Å; I710-E725 WeakPolarHBondContact CG2-OE2 3.38Å; R714-E725 IonicContact CZ-OE1 3.25Å; R714-E725 IonicContact NE-OE1 3.84Å; R714-E725 IonicContact NE-OE2 2.81Å; R714-E725 IonicContact NH2-OE1 2.64Å; R714-E725 PolarHBondContact NH2-OE1 3.02Å; M717-E725 WeakPolarHBondContact CE-OE2 3.25Å; V721-E725 PolarHBondContact O-N 3.08Å; L722-E725 PolarHBondContact O-N 3.49Å; E725-Q728 PolarHBondContact O-N 2.92Å; E725-Q729 WeakPolarHBondContact O-CB 3.29Å; E725-Q729 PolarHBondContact O-N 3.44Å |
| 726 | V | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | I703 A706 I707 I710 L722 Q728 Q729 L730 I741 | I703-V726 HydrophobicContact CG2-CG1 4.43Å; A706-V726 HydrophobicContact CB-CG1 4.43Å; I707-V726 HydrophobicContact CG1-CG1 4.4Å; I707-V726 HydrophobicContact CG1-CG2 3.68Å; I710-V726 HydrophobicContact CD1-CB 4.35Å; I710-V726 HydrophobicContact CD1-CG2 3.63Å; L722-V726 HydrophobicContact CD1-CG2 3.91Å; L722-V726 HydrophobicContact CG-CG2 4.3Å; L722-V726 WeakPolarHBondContact O-CB 3.22Å; L722-V726 WeakPolarHBondContact O-CG2 3.37Å; L722-V726 PolarHBondContact O-N 3.01Å; V726-Q728 VanDerWaalsContact C-N 3.33Å; V726-Q728 PolarHBondContact O-N 3.48Å; V726-Q729 PolarHBondContact O-N 3.44Å; V726-L730 HydrophobicContact CG1-CD1 3.9Å; V726-L730 WeakPolarHBondContact O-CG 3.43Å; V726-L730 PolarHBondContact O-N 3.37Å; V726-I741 HydrophobicContact CB-CD1 4.25Å; V726-I741 HydrophobicContact CB-CG2 4.5Å; V726-I741 HydrophobicContact CG1-CD1 3.84Å; V726-I741 HydrophobicContact CG1-CG1 4.02Å; V726-I741 HydrophobicContact CG1-CG2 4.29Å |
| 727 | T | 96 | Very high | 94.2 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.184 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 177.5 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | V723 A724 Q729 L730 K731 L735 P736 | V723-T727 WeakPolarHBondContact O-CB 3.43Å; V723-T727 PolarHBondContact O-N 3.27Å; V723-T727 PolarHBondContact O-OG1 2.83Å; A724-T727 PolarHBondContact O-N 3.38Å; T727-Q729 PolarHBondContact O-N 3.24Å; T727-L730 PolarHBondContact O-N 3.09Å; T727-K731 WeakPolarHBondContact O-CB 3.48Å; T727-K731 PolarHBondContact O-N 3.27Å; T727-L735 HydrophobicContact CG2-CD1 3.85Å; T727-P736 HydrophobicContact CG2-CG 4.31Å |
| 728 | Q | 94 | Very high | 94.1 | Very high | 134 Ų | 134 | 55.4 Ų | 55.4 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.1 | -40.1 | 178.8 | -177.5 | 59 | 28.9 | 0 | 0 | 112.3 | A724 E725 V726 L730 | A724-Q728 WeakPolarHBondContact O-CB 3.42Å; A724-Q728 PolarHBondContact O-N 3.2Å; E725-Q728 PolarHBondContact O-N 2.92Å; V726-Q728 VanDerWaalsContact C-N 3.33Å; V726-Q728 PolarHBondContact O-N 3.48Å; Q728-L730 VanDerWaalsContact C-N 3.35Å |
| 729 | Q | 92.1 | Very high | 94 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 178.8 | -170.3 | 176.5 | 32.7 | 0 | 0 | 112.3 | E725 V726 T727 | E725-Q729 WeakPolarHBondContact O-CB 3.29Å; E725-Q729 PolarHBondContact O-N 3.44Å; V726-Q729 PolarHBondContact O-N 3.44Å; T727-Q729 PolarHBondContact O-N 3.24Å |
| 730 | L | 92.5 | Very high | 93.9 | Very high | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -91.6 | -16.3 | -176.2 | -65.8 | 174.8 | 0 | 0 | 0 | 114.1 | I703 A706 V726 T727 Q728 A732 R733 F734 P736 | I703-L730 HydrophobicContact CB-CD1 4.34Å; I703-L730 HydrophobicContact CG1-CD1 3.66Å; A706-L730 HydrophobicContact CB-CD1 4.15Å; A706-L730 HydrophobicContact CB-CD2 4.15Å; A706-L730 HydrophobicContact CB-CG 4.17Å; V726-L730 HydrophobicContact CG1-CD1 3.9Å; V726-L730 WeakPolarHBondContact O-CG 3.43Å; V726-L730 PolarHBondContact O-N 3.37Å; T727-L730 PolarHBondContact O-N 3.09Å; Q728-L730 VanDerWaalsContact C-N 3.35Å; L730-A732 PolarHBondContact O-N 3.21Å; L730-R733 PolarHBondContact O-N 3.32Å; L730-F734 CarbonylContact C-O 3.58Å; L730-F734 VanDerWaalsContact C-O 3.28Å; L730-F734 HydrophobicContact CD1-CE2 4.49Å; L730-F734 HydrophobicContact CD1-CZ 3.98Å; L730-F734 HydrophobicContact CD2-CE1 4.44Å; L730-F734 PolarHBondContact O-N 2.93Å; L730-F734 VanDerWaalsContact O-N 3.07Å; L730-P736 HydrophobicContact CB-CG 4.16Å; L730-P736 HydrophobicContact CD1-CB 4.44Å; L730-P736 HydrophobicContact CD1-CG 4.17Å |
| 731 | K | 89.6 | Confident | 93.9 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 52% | 0.522 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -28.5 | -177.2 | -172.9 | 177.1 | -179.9 | -178.2 | 0 | 114.4 | T727 R733 F734 | T727-K731 WeakPolarHBondContact O-CB 3.48Å; T727-K731 PolarHBondContact O-N 3.27Å; K731-R733 PolarHBondContact O-N 3.45Å; K731-F734 WeakPolarHBondContact CA-O 3.38Å |
| 732 | A | 86.7 | Confident | 93.9 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 45% | 0.446 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K425 L730 | K425-A732 WeakPolarHBondContact CD-O 3.47Å; L730-A732 PolarHBondContact O-N 3.21Å |
| 733 | R | 89.9 | Confident | 93.8 | Very high | 60 Ų | 60 | 61.6 Ų | 61.6 | 23% | 0.226 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -47.2 | -179.5 | -61.6 | -171.1 | 74.1 | -165.4 | -1.1 | 112.8 | K425 D426 E429 E702 L730 K731 | K425-R733 WeakPolarHBondContact CA-O 3.45Å; K425-R733 WeakPolarHBondContact CB-O 3.36Å; K425-R733 PolarHBondContact N-O 3.13Å; D426-R733 PolarHBondContact N-O 3.02Å; E429-R733 IonicContact OE2-CZ 2.65Å; E429-R733 IonicContact OE2-NH2 2.8Å; E429-R733 PolarHBondContact OE2-NH2 2.77Å; E702-R733 IonicContact OE1-CZ 3.58Å; E702-R733 VanDerWaalsContact OE1-CZ 3.25Å; E702-R733 IonicContact OE1-NH1 3.42Å; E702-R733 PolarHBondContact OE1-NH1 3.43Å; E702-R733 IonicContact OE1-NH2 3.92Å; E702-R733 PolarHBondContact OE1-NH2 3.34Å; E702-R733 IonicContact OE2-CZ 3.86Å; E702-R733 IonicContact OE2-NE 2.76Å; E702-R733 IonicContact OE2-NH1 3.95Å; E702-R733 PolarHBondContact OE2-NH1 2.82Å; L730-R733 PolarHBondContact O-N 3.32Å; K731-R733 PolarHBondContact O-N 3.45Å |
| 734 | F | 92.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 63 Ų | 63 | 2% | 0.022 | 33% | 0.333 | C | S | . | . | trans | -156.4 | 163.4 | 175.6 | 64.8 | -84.5 | 0 | 0 | 0 | 110.9 | Q423 D426 R699 E702 I703 L730 K731 P736 | Q423-F734 VanDerWaalsContact O-CA 3.31Å; Q423-F734 WeakPolarHBondContact O-CA 3.48Å; D426-F734 WeakPolarHBondContact OD2-CD1 3.29Å; R699-F734 HydrophobicContact CB-CE1 4.45Å; R699-F734 HydrophobicContact CB-CE2 4.17Å; R699-F734 HydrophobicContact CB-CZ 3.94Å; R699-F734 HydrophobicContact CG-CD1 4.12Å; R699-F734 HydrophobicContact CG-CD2 4.17Å; R699-F734 HydrophobicContact CG-CE1 3.87Å; R699-F734 HydrophobicContact CG-CE2 3.89Å; R699-F734 HydrophobicContact CG-CG 4.28Å; R699-F734 HydrophobicContact CG-CZ 3.74Å; E702-F734 HydrophobicContact CB-CE1 4.43Å; I703-F734 HydrophobicContact CD1-CE2 4.11Å; I703-F734 HydrophobicContact CD1-CZ 4.29Å; I703-F734 HydrophobicContact CG1-CE2 4.16Å; I703-F734 HydrophobicContact CG1-CZ 3.93Å; L730-F734 CarbonylContact C-O 3.58Å; L730-F734 VanDerWaalsContact C-O 3.28Å; L730-F734 HydrophobicContact CD1-CE2 4.49Å; L730-F734 HydrophobicContact CD1-CZ 3.98Å; L730-F734 HydrophobicContact CD2-CE1 4.44Å; L730-F734 PolarHBondContact O-N 2.93Å; L730-F734 VanDerWaalsContact O-N 3.07Å; K731-F734 WeakPolarHBondContact CA-O 3.38Å; F734-P736 HydrophobicContact CD2-CB 4.32Å; F734-P736 HydrophobicContact CE2-CB 3.83Å; F734-P736 WeakPolarHBondContact O-CD 3.39Å | ||
| 735 | L | 90.7 | Very high | 93.8 | Very high | 95 Ų | 95 | 60.2 Ų | 60.2 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | trans | -95.1 | 99.7 | 175.4 | -170.8 | 65.5 | 0 | 0 | 0 | 109.9 | T727 | T727-L735 HydrophobicContact CG2-CD1 3.85Š| ||
| 736 | P | 92.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 60 Ų | 60 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | trans | -68.9 | 138.4 | -179.9 | 28.7 | -36.4 | 0 | 0 | 0 | 111.2 | I703 T727 L730 F734 I741 | I703-P736 HydrophobicContact CD1-CB 4.14Å; I703-P736 HydrophobicContact CG1-CB 4.37Å; T727-P736 HydrophobicContact CG2-CG 4.31Å; L730-P736 HydrophobicContact CB-CG 4.16Å; L730-P736 HydrophobicContact CD1-CB 4.44Å; L730-P736 HydrophobicContact CD1-CG 4.17Å; F734-P736 HydrophobicContact CD2-CB 4.32Å; F734-P736 HydrophobicContact CE2-CB 3.83Å; F734-P736 WeakPolarHBondContact O-CD 3.39Å; P736-I741 HydrophobicContact CB-CD1 3.96Å; P736-I741 HydrophobicContact CB-CG1 4.03Å; P736-I741 HydrophobicContact CG-CD1 3.94Å | ||
| 737 | S | 92.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 60.7 Ų | 60.7 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | trans | -74.6 | 139.7 | 173.7 | 112.3 | 0 | 0 | 0 | 0 | 110.8 | V739 V740 I741 | S737-V739 PolarHBondContact O-N 3.16Å; S737-V739 VanDerWaalsContact O-N 3.14Å; S737-V739 PolarHBondContact OG-N 3.22Å; S737-V740 PolarHBondContact O-N 2.8Å; S737-V740 WeakPolarHBondContact OG-CG2 3.38Å; S737-V740 PolarHBondContact OG-N 3.05Å; S737-I741 PolarHBondContact O-N 2.95Å | ||
| 738 | P | 94.5 | Very high | 93.8 | Very high | 83 Ų | 83 | 59.4 Ų | 59.4 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.6 | -33.2 | 175.4 | -28.6 | 35.8 | 0 | 0 | 0 | 113.4 | V723 I741 K742 | V723-P738 HydrophobicContact CG1-CB 4.12Å; V723-P738 HydrophobicContact CG1-CG 4.47Å; P738-I741 PolarHBondContact O-N 3.36Å; P738-K742 WeakPolarHBondContact O-CB 3.2Å; P738-K742 PolarHBondContact O-N 3.47Å |
| 739 | V | 95.6 | Very high | 93.9 | Very high | 114 Ų | 114 | 54.8 Ų | 54.8 | 69% | 0.691 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 111 | S737 K742 K743 | S737-V739 PolarHBondContact O-N 3.16Å; S737-V739 VanDerWaalsContact O-N 3.14Å; S737-V739 PolarHBondContact OG-N 3.22Å; V739-K742 PolarHBondContact O-N 3.47Å; V739-K743 PolarHBondContact O-N 3.4Å |
| 740 | V | 94.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 58.6 Ų | 58.6 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68 | -43.7 | 177.9 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | I703 S737 K742 K743 R744 | I703-V740 HydrophobicContact CD1-CB 4.49Å; I703-V740 HydrophobicContact CD1-CG1 3.6Å; S737-V740 PolarHBondContact O-N 2.8Å; S737-V740 WeakPolarHBondContact OG-CG2 3.38Å; S737-V740 PolarHBondContact OG-N 3.05Å; V740-K742 VanDerWaalsContact C-N 3.33Å; V740-K742 PolarHBondContact O-N 3.38Å; V740-K743 PolarHBondContact O-N 3.37Å; V740-K743 VanDerWaalsContact O-N 3.15Å; V740-R744 HydrophobicContact CG1-CG 4.45Å; V740-R744 WeakPolarHBondContact O-CG 3.49Å; V740-R744 PolarHBondContact O-N 3.26Å |
| 741 | I | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.7 | -49.2 | 176 | -63.4 | 168.6 | 0 | 0 | 0 | 110 | I703 I707 V723 V726 P736 S737 P738 K743 R744 I745 | I703-I741 HydrophobicContact CG2-CG1 4.2Å; I707-I741 HydrophobicContact CD1-CG2 4.29Å; V723-I741 HydrophobicContact CG1-CD1 4.1Å; V723-I741 HydrophobicContact CG2-CG2 3.99Å; V726-I741 HydrophobicContact CB-CD1 4.25Å; V726-I741 HydrophobicContact CB-CG2 4.5Å; V726-I741 HydrophobicContact CG1-CD1 3.84Å; V726-I741 HydrophobicContact CG1-CG1 4.02Å; V726-I741 HydrophobicContact CG1-CG2 4.29Å; P736-I741 HydrophobicContact CB-CD1 3.96Å; P736-I741 HydrophobicContact CB-CG1 4.03Å; P736-I741 HydrophobicContact CG-CD1 3.94Å; S737-I741 PolarHBondContact O-N 2.95Å; P738-I741 PolarHBondContact O-N 3.36Å; I741-K743 VanDerWaalsContact C-N 3.34Å; I741-K743 PolarHBondContact O-N 3.44Å; I741-R744 PolarHBondContact O-N 3.42Å; I741-I745 HydrophobicContact CG2-CD1 4.02Å; I741-I745 HydrophobicContact CG2-CG1 4.41Å; I741-I745 WeakPolarHBondContact O-CG1 3.36Å; I741-I745 PolarHBondContact O-N 3.48Å |
| 742 | K | 96 | Very high | 94.5 | Very high | 112 Ų | 112 | 65.2 Ų | 65.2 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.2 | -48.4 | 176.2 | -177.2 | -179.5 | 177.7 | -175.4 | 0 | 111.6 | P738 V739 V740 R744 I745 E746 | P738-K742 WeakPolarHBondContact O-CB 3.2Å; P738-K742 PolarHBondContact O-N 3.47Å; V739-K742 PolarHBondContact O-N 3.47Å; V740-K742 VanDerWaalsContact C-N 3.33Å; V740-K742 PolarHBondContact O-N 3.38Å; K742-R744 PolarHBondContact O-N 2.88Å; K742-I745 WeakPolarHBondContact O-CB 3.28Å; K742-I745 PolarHBondContact O-N 3.46Å; K742-I745 VanDerWaalsContact O-N 3.14Å; K742-E746 WeakPolarHBondContact O-CG 3.49Å; K742-E746 PolarHBondContact O-N 3.15Å |
| 743 | K | 96.7 | Very high | 94.9 | Very high | 142 Ų | 142 | 67.1 Ų | 67.1 | 62% | 0.617 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.1 | -33.4 | 178.1 | -169.7 | 177.9 | -178.5 | 175.3 | 0 | 112.7 | V739 V740 I741 G747 | V739-K743 PolarHBondContact O-N 3.4Å; V740-K743 PolarHBondContact O-N 3.37Å; V740-K743 VanDerWaalsContact O-N 3.15Å; I741-K743 VanDerWaalsContact C-N 3.34Å; I741-K743 PolarHBondContact O-N 3.44Å; K743-G747 PolarHBondContact O-N 3.4Å |
| 744 | R | 96.9 | Very high | 95.2 | Very high | 48 Ų | 48 | 64.4 Ų | 64.4 | 18% | 0.181 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.3 | -36.8 | 175.7 | -65.3 | -56.8 | 86.2 | -167.6 | -0 | 112.4 | I703 E704 I707 V740 I741 K742 G747 L748 | I703-R744 HydrophobicContact CB-CG 4.13Å; I703-R744 HydrophobicContact CG2-CB 3.86Å; I703-R744 HydrophobicContact CG2-CG 3.68Å; E704-R744 HydrophobicContact CG-CB 3.99Å; E704-R744 HydrophobicContact CG-CG 4.15Å; E704-R744 VanDerWaalsContact OE1-CD 3.29Å; E704-R744 WeakPolarHBondContact OE1-CD 3.41Å; E704-R744 IonicContact OE1-CZ 2.59Å; E704-R744 IonicContact OE1-NE 3.66Å; E704-R744 IonicContact OE1-NH1 3.2Å; E704-R744 PolarHBondContact OE1-NH1 3.24Å; I707-R744 HydrophobicContact CD1-CB 3.8Å; V740-R744 HydrophobicContact CG1-CG 4.45Å; V740-R744 WeakPolarHBondContact O-CG 3.49Å; V740-R744 PolarHBondContact O-N 3.26Å; I741-R744 PolarHBondContact O-N 3.42Å; K742-R744 PolarHBondContact O-N 2.88Å; R744-G747 PolarHBondContact O-N 2.94Å; R744-L748 WeakPolarHBondContact O-CG 3.4Å; R744-L748 PolarHBondContact O-N 3.2Å |
| 745 | I | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 172.6 | -65.7 | 168.5 | 0 | 0 | 0 | 110.3 | I707 L722 I741 K742 G747 L748 I749 L754 Y764 | I707-I745 HydrophobicContact CD1-CG1 3.86Å; I707-I745 HydrophobicContact CG1-CG1 4.49Å; I707-I745 HydrophobicContact CG2-CG1 4.43Å; L722-I745 HydrophobicContact CD2-CD1 3.75Å; L722-I745 HydrophobicContact CD2-CG1 4.24Å; L722-I745 HydrophobicContact CG-CD1 4.41Å; I741-I745 HydrophobicContact CG2-CD1 4.02Å; I741-I745 HydrophobicContact CG2-CG1 4.41Å; I741-I745 WeakPolarHBondContact O-CG1 3.36Å; I741-I745 PolarHBondContact O-N 3.48Å; K742-I745 WeakPolarHBondContact O-CB 3.28Å; K742-I745 PolarHBondContact O-N 3.46Å; K742-I745 VanDerWaalsContact O-N 3.14Å; I745-G747 VanDerWaalsContact C-N 3.35Å; I745-G747 PolarHBondContact O-N 2.64Å; I745-L748 WeakPolarHBondContact O-CB 3.47Å; I745-L748 PolarHBondContact O-N 3.41Å; I745-I749 HydrophobicContact CG2-CD1 4.03Å; I745-I749 HydrophobicContact CG2-CG1 4.49Å; I745-I749 WeakPolarHBondContact O-CG1 3.37Å; I745-I749 PolarHBondContact O-N 3.41Å; I745-L754 HydrophobicContact CG2-CD1 4.2Å; I745-Y764 HydrophobicContact CD1-CE2 4.11Å; I745-Y764 HydrophobicContact CG2-CD1 4.28Å; I745-Y764 HydrophobicContact CG2-CD2 4.42Å; I745-Y764 HydrophobicContact CG2-CE1 3.83Å; I745-Y764 HydrophobicContact CG2-CE2 3.98Å |
| 746 | E | 96.3 | Very high | 95.6 | Very high | 50 Ų | 50 | 65.8 Ų | 65.8 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 177.9 | -59.9 | -56.4 | 148.1 | 0 | 0 | 111.5 | K742 L748 I749 E750 R756 | K742-E746 WeakPolarHBondContact O-CG 3.49Å; K742-E746 PolarHBondContact O-N 3.15Å; E746-L748 PolarHBondContact O-N 3.35Å; E746-I749 WeakPolarHBondContact O-CB 3.42Å; E746-I749 PolarHBondContact O-N 3.35Å; E746-E750 PolarHBondContact O-N 3.19Å; E746-R756 IonicContact OE1-CZ 3.22Å; E746-R756 IonicContact OE1-NH2 3.59Å; E746-R756 PolarHBondContact OE1-NH2 2.91Å; E746-R756 IonicContact OE2-CZ 2.63Å; E746-R756 IonicContact OE2-NH1 2.85Å; E746-R756 IonicContact OE2-NH2 3.26Å; E746-R756 PolarHBondContact OE2-NH2 3.2Å |
| 747 | G | 96.3 | Very high | 95.7 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 14% | 0.144 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.2 | -19.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K743 R744 I745 R751 | K743-G747 PolarHBondContact O-N 3.4Å; R744-G747 PolarHBondContact O-N 2.94Å; I745-G747 VanDerWaalsContact C-N 3.35Å; I745-G747 PolarHBondContact O-N 2.64Å; G747-R751 WeakPolarHBondContact O-CG 3.46Å; G747-R751 PolarHBondContact O-N 2.76Å; G747-R751 PolarHBondContact O-NE 3.45Å |
| 748 | L | 97.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -82.8 | -27.8 | 171.2 | -76.1 | 168.2 | 0 | 0 | 0 | 112.1 | E704 I707 V708 R744 I745 E746 R751 E752 Y753 L754 | E704-L748 HydrophobicContact CB-CD1 4.43Å; E704-L748 HydrophobicContact CG-CD1 4.42Å; E704-L748 HydrophobicContact CG-CG 4.43Å; I707-L748 HydrophobicContact CB-CD1 3.8Å; I707-L748 HydrophobicContact CD1-CD1 4.08Å; I707-L748 HydrophobicContact CG2-CD1 3.51Å; V708-L748 HydrophobicContact CG2-CD1 4.03Å; V708-L748 HydrophobicContact CG2-CD2 3.69Å; R744-L748 WeakPolarHBondContact O-CG 3.4Å; R744-L748 PolarHBondContact O-N 3.2Å; I745-L748 WeakPolarHBondContact O-CB 3.47Å; I745-L748 PolarHBondContact O-N 3.41Å; E746-L748 PolarHBondContact O-N 3.35Å; L748-R751 VanDerWaalsContact CD2-NH2 3.28Å; L748-E752 PolarHBondContact O-N 3.47Å; L748-Y753 HydrophobicContact CD2-CD2 4.01Å; L748-Y753 HydrophobicContact CD2-CG 4.01Å; L748-Y753 PolarHBondContact O-N 3.24Å; L748-L754 HydrophobicContact CB-CD1 3.95Å; L748-L754 HydrophobicContact CB-CG 4.17Å; L748-L754 HydrophobicContact CD1-CD1 4.21Å; L748-L754 PolarHBondContact O-N 2.99Å |
| 749 | I | 96.4 | Very high | 95.4 | Very high | 37 Ų | 37 | 72.3 Ų | 72.3 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.2 | -45.4 | 171.7 | -65.8 | 167 | 0 | 0 | 0 | 110.1 | I745 E746 R751 E752 L754 R756 Y764 | I745-I749 HydrophobicContact CG2-CD1 4.03Å; I745-I749 HydrophobicContact CG2-CG1 4.49Å; I745-I749 WeakPolarHBondContact O-CG1 3.37Å; I745-I749 PolarHBondContact O-N 3.41Å; E746-I749 WeakPolarHBondContact O-CB 3.42Å; E746-I749 PolarHBondContact O-N 3.35Å; I749-R751 PolarHBondContact O-N 2.97Å; I749-E752 PolarHBondContact O-N 2.99Å; I749-L754 WeakPolarHBondContact CA-O 3.48Å; I749-L754 HydrophobicContact CG1-CB 3.87Å; I749-R756 HydrophobicContact CD1-CG 4.27Å; I749-Y764 HydrophobicContact CD1-CD1 4.16Å; I749-Y764 HydrophobicContact CD1-CE1 3.91Å |
| 750 | E | 96 | Very high | 95.3 | Very high | 163 Ų | 163 | 69.9 Ų | 69.9 | 76% | 0.762 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.3 | -30.2 | 176.6 | -72.2 | 172.6 | -177.1 | 0 | 0 | 112.9 | E746 E752 | E746-E750 PolarHBondContact O-N 3.19Å; E750-E752 VanDerWaalsContact C-N 3.35Å |
| 751 | R | 96 | Very high | 95.1 | Very high | 118 Ų | 118 | 76.9 Ų | 76.9 | 45% | 0.445 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 13.5 | 175.8 | -67.2 | -179 | -66.2 | 165.3 | -3.1 | 113.5 | E704 G747 L748 I749 Y753 | E704-R751 IonicContact OE1-NH2 2.73Å; E704-R751 PolarHBondContact OE1-NH2 3Å; E704-R751 IonicContact OE2-CZ 2.8Å; E704-R751 IonicContact OE2-NH1 2.7Å; E704-R751 PolarHBondContact OE2-NH1 3.44Å; E704-R751 IonicContact OE2-NH2 2.82Å; E704-R751 PolarHBondContact OE2-NH2 3.4Å; G747-R751 WeakPolarHBondContact O-CG 3.46Å; G747-R751 PolarHBondContact O-N 2.76Å; G747-R751 PolarHBondContact O-NE 3.45Å; L748-R751 VanDerWaalsContact CD2-NH2 3.28Å; I749-R751 PolarHBondContact O-N 2.97Å; R751-Y753 HydrophobicContact CB-CD2 3.8Å; R751-Y753 HydrophobicContact CB-CE2 4.08Å; R751-Y753 WeakPolarHBondContact O-CD2 3.33Å; R751-Y753 PolarHBondContact O-N 3.12Å; R751-Y753 VanDerWaalsContact O-N 3.1Å |
| 752 | E | 94.4 | Very high | 95 | Very high | 155 Ų | 155 | 83.4 Ų | 83.4 | 72% | 0.724 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 19.4 | 174.8 | -53.6 | -175.1 | 155.1 | 0 | 0 | 115.7 | L748 I749 E750 | L748-E752 PolarHBondContact O-N 3.47Å; I749-E752 PolarHBondContact O-N 2.99Å; E750-E752 VanDerWaalsContact C-N 3.35Å |
| 753 | Y | 95.2 | Very high | 95 | Very high | 93 Ų | 93 | 79.1 Ų | 79.1 | 37% | 0.365 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -77.1 | -30.5 | 171.4 | -76.9 | -89.1 | 0 | 0 | 0 | 112.2 | V708 L748 R751 Y766 V767 A768 | V708-Y753 HydrophobicContact CG2-CD1 4.28Å; L748-Y753 HydrophobicContact CD2-CD2 4.01Å; L748-Y753 HydrophobicContact CD2-CG 4.01Å; L748-Y753 PolarHBondContact O-N 3.24Å; R751-Y753 HydrophobicContact CB-CD2 3.8Å; R751-Y753 HydrophobicContact CB-CE2 4.08Å; R751-Y753 WeakPolarHBondContact O-CD2 3.33Å; R751-Y753 PolarHBondContact O-N 3.12Å; R751-Y753 VanDerWaalsContact O-N 3.1Å; Y753-Y766 WeakPolarHBondContact O-CD2 3.37Å; Y753-V767 PolarHBondContact O-N 3.34Å; Y753-V767 VanDerWaalsContact O-N 3.1Å; Y753-A768 HydrophobicContact CD1-CB 3.83Å; Y753-A768 HydrophobicContact CE1-CB 4.31Å; Y753-A768 HydrophobicContact CG-CB 4.48Å |
| 754 | L | 96.2 | Very high | 95 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 152.9 | -179.8 | -58.9 | 177.4 | 0 | 0 | 0 | 110.6 | I707 M711 I745 L748 I749 T765 Y766 | I707-L754 HydrophobicContact CG2-CD1 3.73Å; M711-L754 HydrophobicContact CB-CD2 3.53Å; M711-L754 HydrophobicContact CE-CD2 3.95Å; M711-L754 HydrophobicContact CG-CD1 4.41Å; M711-L754 HydrophobicContact CG-CD2 3.57Å; I745-L754 HydrophobicContact CG2-CD1 4.2Å; L748-L754 HydrophobicContact CB-CD1 3.95Å; L748-L754 HydrophobicContact CB-CG 4.17Å; L748-L754 HydrophobicContact CD1-CD1 4.21Å; L748-L754 PolarHBondContact O-N 2.99Å; I749-L754 WeakPolarHBondContact CA-O 3.48Å; I749-L754 HydrophobicContact CG1-CB 3.87Å; L754-T765 CarbonylContact C-O 3.24Å; L754-T765 VanDerWaalsContact CA-O 3.29Å; L754-T765 WeakPolarHBondContact CA-O 3.33Å; L754-Y766 HydrophobicContact CD2-CD2 4.01Å |
| 755 | A | 95.5 | Very high | 95 | Very high | 31 Ų | 31 | 72.4 Ų | 72.4 | 26% | 0.256 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 157.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y764 T765 V767 | A755-Y764 CarbonylContact O-C 3.39Å; A755-Y764 WeakPolarHBondContact O-CA 3.37Å; A755-T765 PolarHBondContact N-O 2.96Å; A755-T765 PolarHBondContact O-N 3.39Å; A755-T765 PolarHBondContact O-OG1 3.07Å; A755-V767 HydrophobicContact CB-CG2 3.71Å; A755-V767 VanDerWaalsContact N-CG2 3.35Å |
| 756 | R | 95.8 | Very high | 95 | Very high | 98 Ų | 98 | 74 Ų | 74 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 143.1 | 167.5 | -68.6 | -177.2 | -179.9 | 106.3 | 0.8 | 108.9 | E746 I749 R761 V763 Y764 | E746-R756 IonicContact OE1-CZ 3.22Å; E746-R756 IonicContact OE1-NH2 3.59Å; E746-R756 PolarHBondContact OE1-NH2 2.91Å; E746-R756 IonicContact OE2-CZ 2.63Å; E746-R756 IonicContact OE2-NH1 2.85Å; E746-R756 IonicContact OE2-NH2 3.26Å; E746-R756 PolarHBondContact OE2-NH2 3.2Å; I749-R756 HydrophobicContact CD1-CG 4.27Å; R756-R761 WeakPolarHBondContact CD-O 3.41Å; R756-V763 WeakPolarHBondContact CA-O 3.42Å; R756-Y764 HydrophobicContact CG-CD1 3.96Å; R756-Y764 HydrophobicContact CG-CE1 3.88Å |
| 757 | T | 93.9 | Very high | 94.8 | Very high | 9 Ų | 9 | 75.8 Ų | 75.8 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | trans | -67.5 | 148.6 | 172.2 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | K716 E759 D760 V763 T765 | K716-T757 HydrophobicContact CD-CG2 4.47Å; T757-E759 WeakPolarHBondContact CB-OE2 3.48Å; T757-E759 PolarHBondContact O-N 3.37Å; T757-D760 PolarHBondContact OG1-N 3.48Å; T757-D760 PolarHBondContact OG1-O 2.7Å; T757-V763 HydrophobicContact CG2-CB 4.18Å; T757-V763 HydrophobicContact CG2-CG1 3.86Å; T757-V763 PolarHBondContact N-O 2.88Å; T757-T765 HydrophobicContact CG2-CG2 3.6Å | ||
| 758 | P | 89.8 | Confident | 94.3 | Very high | 122 Ų | 122 | 79.7 Ų | 79.7 | 79% | 0.792 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -60.8 | -34.6 | 175.9 | -19.4 | 30.6 | 0 | 0 | 0 | 112.5 | ||
| 759 | E | 91.9 | Very high | 94.1 | Very high | 147 Ų | 147 | 83.6 Ų | 83.6 | 69% | 0.687 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -80.1 | -36.2 | -173 | -50.4 | 76.5 | -144.4 | 0 | 0 | 112.7 | T757 | T757-E759 WeakPolarHBondContact CB-OE2 3.48Å; T757-E759 PolarHBondContact O-N 3.37Å |
| 760 | D | 92.6 | Very high | 94 | Very high | 64 Ų | 64 | 86 Ų | 86 | 34% | 0.342 | 42% | 0.424 | S | S | . | . | trans | -142.4 | 119.6 | 179.7 | -173.4 | -2 | 0 | 0 | 0 | 112.1 | T757 K762 V763 | T757-D760 PolarHBondContact OG1-N 3.48Å; T757-D760 PolarHBondContact OG1-O 2.7Å; D760-K762 PolarHBondContact O-N 3.35Å; D760-K762 WeakPolarHBondContact OD1-CB 3.41Å; D760-K762 PolarHBondContact OD1-N 3.17Å; D760-V763 HydrophobicContact CB-CB 4.39Å; D760-V763 HydrophobicContact CB-CG2 3.98Å; D760-V763 PolarHBondContact O-N 2.94Å | ||
| 761 | R | 90.8 | Very high | 93.9 | Very high | 206 Ų | 206 | 81.7 Ų | 81.7 | 78% | 0.777 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16 | 176.2 | -71.7 | -172.8 | 173.8 | -170.9 | -1.2 | 113.8 | R756 V763 | R756-R761 WeakPolarHBondContact CD-O 3.41Å; R761-V763 VanDerWaalsContact C-N 3.29Å |
| 762 | K | 94.1 | Very high | 93.8 | Very high | 137 Ų | 137 | 79.6 Ų | 79.6 | 60% | 0.596 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.1 | 174.6 | -60.7 | 179.3 | -178.6 | 174.9 | 0 | 112.5 | Q718 H719 D760 | Q718-K762 CarbonylContact C-O 3.29Å; Q718-K762 WeakPolarHBondContact CA-O 3.43Å; H719-K762 PolarHBondContact N-O 3.44Å; D760-K762 PolarHBondContact O-N 3.35Å; D760-K762 WeakPolarHBondContact OD1-CB 3.41Å; D760-K762 PolarHBondContact OD1-N 3.17Å |
| 763 | V | 96.3 | Very high | 93.7 | Very high | 21 Ų | 21 | 74.9 Ų | 74.9 | 13% | 0.127 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.7 | 176.8 | -177 | 0 | 0 | 0 | 0 | 109.5 | K716 Q718 R756 T757 D760 R761 | K716-V763 HydrophobicContact CD-CG1 4.21Å; K716-V763 HydrophobicContact CG-CG1 3.64Å; Q718-V763 HydrophobicContact CB-CG2 4.48Å; Q718-V763 HydrophobicContact CG-CG2 4.28Å; R756-V763 WeakPolarHBondContact CA-O 3.42Å; T757-V763 HydrophobicContact CG2-CB 4.18Å; T757-V763 HydrophobicContact CG2-CG1 3.86Å; T757-V763 PolarHBondContact N-O 2.88Å; D760-V763 HydrophobicContact CB-CB 4.39Å; D760-V763 HydrophobicContact CB-CG2 3.98Å; D760-V763 PolarHBondContact O-N 2.94Å; R761-V763 VanDerWaalsContact C-N 3.29Å |
| 764 | Y | 97.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 73.7 Ų | 73.7 | 3% | 0.031 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 148.3 | 179.2 | -54.5 | -64.5 | 0 | 0 | 0 | 110.8 | M711 K716 M717 H719 L722 I745 I749 A755 R756 | M711-Y764 WeakPolarHBondContact CE-O 3.39Å; K716-Y764 CarbonylContact C-O 3.58Å; K716-Y764 VanDerWaalsContact CA-O 3.28Å; K716-Y764 WeakPolarHBondContact CA-O 3.38Å; M717-Y764 PolarHBondContact N-O 3.28Å; M717-Y764 PolarHBondContact O-N 2.89Å; H719-Y764 HydrophobicContact CB-CE2 3.7Å; H719-Y764 AromaticContact CG-CE2 3.97Å; H719-Y764 AromaticContact ND1-CE2 3.44Å; H719-Y764 WeakPolarHBondContact ND1-CE2 3.46Å; H719-Y764 AromaticContact ND1-CZ 3.63Å; H719-Y764 PolarHBondContact ND1-OH 3.29Å; L722-Y764 HydrophobicContact CD2-CD2 3.89Å; L722-Y764 HydrophobicContact CD2-CE2 4.37Å; I745-Y764 HydrophobicContact CD1-CE2 4.11Å; I745-Y764 HydrophobicContact CG2-CD1 4.28Å; I745-Y764 HydrophobicContact CG2-CD2 4.42Å; I745-Y764 HydrophobicContact CG2-CE1 3.83Å; I745-Y764 HydrophobicContact CG2-CE2 3.98Å; I749-Y764 HydrophobicContact CD1-CD1 4.16Å; I749-Y764 HydrophobicContact CD1-CE1 3.91Å; A755-Y764 CarbonylContact O-C 3.39Å; A755-Y764 WeakPolarHBondContact O-CA 3.37Å; R756-Y764 HydrophobicContact CG-CD1 3.96Å; R756-Y764 HydrophobicContact CG-CE1 3.88Å |
| 765 | T | 96.6 | Very high | 93.5 | Very high | 41 Ų | 41 | 78.7 Ų | 78.7 | 25% | 0.252 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.1 | 169.4 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | K715 K716 L754 A755 T757 | K715-T765 CarbonylContact O-C 3.55Å; K715-T765 VanDerWaalsContact O-CA 3.26Å; K715-T765 WeakPolarHBondContact O-CA 3.37Å; K716-T765 HydrophobicContact CB-CG2 4.27Å; K716-T765 HydrophobicContact CD-CG2 4.37Å; K716-T765 HydrophobicContact CG-CG2 4.09Å; L754-T765 CarbonylContact C-O 3.24Å; L754-T765 VanDerWaalsContact CA-O 3.29Å; L754-T765 WeakPolarHBondContact CA-O 3.33Å; A755-T765 PolarHBondContact N-O 2.96Å; A755-T765 PolarHBondContact O-N 3.39Å; A755-T765 PolarHBondContact O-OG1 3.07Å; T757-T765 HydrophobicContact CG2-CG2 3.6Å |
| 766 | Y | 96.4 | Very high | 93.3 | Very high | 35 Ų | 35 | 82.4 Ų | 82.4 | 14% | 0.137 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130.3 | 173.3 | -177.2 | -104.2 | 0 | 0 | 0 | 110 | V708 M711 K712 K715 Y753 L754 A768 | V708-Y766 HydrophobicContact CG1-CE2 4.17Å; M711-Y766 HydrophobicContact CB-CD2 3.94Å; M711-Y766 HydrophobicContact CB-CG 4.39Å; M711-Y766 WeakPolarHBondContact O-CB 3.46Å; K712-Y766 HydrophobicContact CB-CD1 4.26Å; K712-Y766 HydrophobicContact CB-CD2 4.35Å; K712-Y766 HydrophobicContact CB-CE1 3.86Å; K712-Y766 HydrophobicContact CB-CE2 4.01Å; K712-Y766 HydrophobicContact CB-CG 4.48Å; K712-Y766 HydrophobicContact CD-CE1 4.38Å; K712-Y766 HydrophobicContact CG-CD1 4.43Å; K712-Y766 HydrophobicContact CG-CE1 3.76Å; K715-Y766 PolarHBondContact O-N 3.28Å; Y753-Y766 WeakPolarHBondContact O-CD2 3.37Å; L754-Y766 HydrophobicContact CD2-CD2 4.01Å; Y766-A768 WeakPolarHBondContact CE1-O 3.36Å; Y766-A768 HydrophobicContact CE2-CB 4.34Å; Y766-A768 PolarHBondContact OH-O 3.3Å |
| 767 | V | 92.1 | Very high | 93.1 | Very high | 87 Ų | 87 | 81.1 Ų | 81.1 | 53% | 0.527 | 43% | 0.426 | S | S | . | . | trans | -117.6 | -12.6 | -169.3 | -123.8 | 0 | 0 | 0 | 0 | 114.6 | Y753 A755 | Y753-V767 PolarHBondContact O-N 3.34Å; Y753-V767 VanDerWaalsContact O-N 3.1Å; A755-V767 HydrophobicContact CB-CG2 3.71Å; A755-V767 VanDerWaalsContact N-CG2 3.35Å | ||
| 768 | A | 85.4 | Confident | 93 | Very high | 96 Ų | 96 | 87.6 Ų | 87.6 | 79% | 0.793 | 46% | 0.46 | S | S | * | . | trans | -95.5 | 0 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y753 Y766 | Y753-A768 HydrophobicContact CD1-CB 3.83Å; Y753-A768 HydrophobicContact CE1-CB 4.31Å; Y753-A768 HydrophobicContact CG-CB 4.48Å; Y766-A768 WeakPolarHBondContact CE1-O 3.36Å; Y766-A768 HydrophobicContact CE2-CB 4.34Å; Y766-A768 PolarHBondContact OH-O 3.3Å |
Retrieved 768 of 768 residues in 275.9 ms
(Link to these results)