| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.4 | Low | 67.5 | Low | 216 Ų | 216 | 132.8 Ų | 132.8 | 100% | 1.064 | 68% | 0.678 | S | S | * | * | 0 | -17.3 | 0 | -73.3 | -148.9 | -111.5 | 0 | 0 | 116.4 | |||||
| 2 | P | 65.4 | Low | 68 | Low | 101 Ų | 101 | 135.1 Ų | 135.1 | 66% | 0.656 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -67.3 | -35.3 | 176.8 | -20.6 | 32 | 0 | 0 | 0 | 115.1 | M4 Q5 | P2-M4 VanDerWaalsContact C-N 3.3Å; P2-M4 PolarHBondContact O-N 3.39Å; P2-Q5 PolarHBondContact O-N 3.29Å |
| 3 | E | 58.3 | Low | 68.3 | Low | 165 Ų | 165 | 132.5 Ų | 132.5 | 77% | 0.771 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -64.6 | -30.8 | -175 | -71.6 | -179.4 | 145.8 | 0 | 0 | 113.9 | Q5 I6 Q7 | E3-Q5 VanDerWaalsContact C-N 3.32Å; E3-Q5 PolarHBondContact O-N 3.34Å; E3-I6 PolarHBondContact O-N 2.99Å; E3-Q7 PolarHBondContact O-N 3.29Å |
| 4 | M | 64.7 | Low | 68.4 | Low | 145 Ų | 145 | 133.6 Ų | 133.6 | 71% | 0.714 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.1 | -26.2 | -179.5 | -161.6 | 176 | 178.6 | 0 | 0 | 112.4 | P2 M8 | P2-M4 VanDerWaalsContact C-N 3.3Å; P2-M4 PolarHBondContact O-N 3.39Å; M4-M8 PolarHBondContact O-N 3.26Å |
| 5 | Q | 69.4 | Low | 68.6 | Low | 151 Ų | 151 | 131.3 Ų | 131.3 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.5 | -34.1 | 175.1 | -75 | -170.4 | -24.4 | 0 | 0 | 112.2 | P2 E3 M8 Q9 | P2-Q5 PolarHBondContact O-N 3.29Å; E3-Q5 VanDerWaalsContact C-N 3.32Å; E3-Q5 PolarHBondContact O-N 3.34Å; Q5-M8 PolarHBondContact O-N 3.23Å; Q5-Q9 PolarHBondContact O-N 3.45Å; Q5-Q9 VanDerWaalsContact O-N 3.14Å |
| 6 | I | 72.3 | Confident | 68.6 | Low | 110 Ų | 110 | 125.6 Ų | 125.6 | 56% | 0.564 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.4 | -45.2 | 179.2 | -61.4 | 175.3 | 0 | 0 | 0 | 110.4 | E3 M8 Q9 D10 | E3-I6 PolarHBondContact O-N 2.99Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 3.08Å; I6-Q9 PolarHBondContact O-N 2.9Å; I6-Q9 VanDerWaalsContact O-N 3.15Å; I6-D10 PolarHBondContact O-N 3.28Å; I6-D10 VanDerWaalsContact O-N 3.11Å |
| 7 | Q | 69.9 | Low | 68.7 | Low | 152 Ų | 152 | 127.4 Ų | 127.4 | 71% | 0.71 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.7 | -34.9 | 177.5 | -76.2 | -173.5 | -12.1 | 0 | 0 | 113.1 | E3 Q9 A11 | E3-Q7 PolarHBondContact O-N 3.29Å; Q7-Q9 VanDerWaalsContact C-N 3.34Å; Q7-A11 WeakPolarHBondContact O-CB 3.4Å; Q7-A11 PolarHBondContact O-N 3.15Å; Q7-A11 VanDerWaalsContact O-N 3.15Å |
| 8 | M | 70.3 | Confident | 68.6 | Low | 132 Ų | 132 | 123.6 Ų | 123.6 | 65% | 0.65 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.1 | -31.9 | 175.3 | -100.6 | -168.8 | 159.4 | 0 | 0 | 113 | M4 Q5 I6 K12 | M4-M8 PolarHBondContact O-N 3.26Å; Q5-M8 PolarHBondContact O-N 3.23Å; I6-M8 VanDerWaalsContact C-N 3.31Å; I6-M8 PolarHBondContact O-N 3.08Å; M8-K12 PolarHBondContact O-N 3.44Å |
| 9 | Q | 71.3 | Confident | 68.7 | Low | 132 Ų | 132 | 122.6 Ų | 122.6 | 62% | 0.617 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.2 | -46.5 | 177.2 | -159.2 | 104.6 | -16.8 | 0 | 0 | 110.7 | Q5 I6 Q7 A11 K12 D13 | Q5-Q9 PolarHBondContact O-N 3.45Å; Q5-Q9 VanDerWaalsContact O-N 3.14Å; I6-Q9 PolarHBondContact O-N 2.9Å; I6-Q9 VanDerWaalsContact O-N 3.15Å; Q7-Q9 VanDerWaalsContact C-N 3.34Å; Q9-A11 VanDerWaalsContact C-N 3.31Å; Q9-A11 PolarHBondContact O-N 3.36Å; Q9-K12 PolarHBondContact O-N 3.14Å; Q9-K12 VanDerWaalsContact O-N 3.13Å; Q9-D13 PolarHBondContact O-N 3.36Å; Q9-D13 VanDerWaalsContact O-N 3.08Å |
| 10 | D | 72.8 | Confident | 68.8 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 54% | 0.54 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -61.3 | -38.7 | 177.5 | -89.4 | -19.9 | 0 | 0 | 0 | 112.2 | I6 K12 D13 Q14 | I6-D10 PolarHBondContact O-N 3.28Å; I6-D10 VanDerWaalsContact O-N 3.11Å; D10-K12 VanDerWaalsContact C-N 3.35Å; D10-K12 PolarHBondContact O-N 3.15Å; D10-D13 PolarHBondContact O-N 3.36Å; D10-Q14 WeakPolarHBondContact O-CG 3.41Å; D10-Q14 PolarHBondContact O-N 3.23Å |
| 11 | A | 72 | Confident | 68.7 | Low | 56 Ų | 56 | 122.9 Ų | 122.9 | 46% | 0.463 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.9 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q7 Q9 V15 | Q7-A11 WeakPolarHBondContact O-CB 3.4Å; Q7-A11 PolarHBondContact O-N 3.15Å; Q7-A11 VanDerWaalsContact O-N 3.15Å; Q9-A11 VanDerWaalsContact C-N 3.31Å; Q9-A11 PolarHBondContact O-N 3.36Å; A11-V15 WeakPolarHBondContact O-CG2 3.28Å; A11-V15 PolarHBondContact O-N 2.83Å; A11-V15 VanDerWaalsContact O-N 3.16Å |
| 12 | K | 74.1 | Confident | 69.5 | Low | 160 Ų | 160 | 120 Ų | 120 | 70% | 0.696 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.4 | -39.4 | 176.3 | -79.3 | -177.4 | 177.6 | 178.7 | 0 | 112.2 | M8 Q9 D10 V15 G16 | M8-K12 PolarHBondContact O-N 3.44Å; Q9-K12 PolarHBondContact O-N 3.14Å; Q9-K12 VanDerWaalsContact O-N 3.13Å; D10-K12 VanDerWaalsContact C-N 3.35Å; D10-K12 PolarHBondContact O-N 3.15Å; K12-V15 PolarHBondContact O-N 3.42Å; K12-G16 PolarHBondContact O-N 3.37Å |
| 13 | D | 71.9 | Confident | 69.7 | Low | 101 Ų | 101 | 123.4 Ų | 123.4 | 54% | 0.54 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.4 | -35.9 | 179 | -78.3 | -10.3 | 0 | 0 | 0 | 112.3 | Q9 D10 G16 K17 | Q9-D13 PolarHBondContact O-N 3.36Å; Q9-D13 VanDerWaalsContact O-N 3.08Å; D10-D13 PolarHBondContact O-N 3.36Å; D13-G16 PolarHBondContact O-N 3.03Å; D13-K17 PolarHBondContact O-N 3.17Å |
| 14 | Q | 69.7 | Low | 69.8 | Low | 149 Ų | 149 | 119.9 Ų | 119.9 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.6 | -41 | 174 | -70.6 | -150.9 | 15.9 | 0 | 0 | 112.7 | D10 G16 K17 A18 | D10-Q14 WeakPolarHBondContact O-CG 3.41Å; D10-Q14 PolarHBondContact O-N 3.23Å; Q14-G16 VanDerWaalsContact C-N 3.34Å; Q14-G16 PolarHBondContact O-N 3.44Å; Q14-K17 PolarHBondContact O-N 3.38Å; Q14-A18 PolarHBondContact O-N 3.16Å |
| 15 | V | 72 | Confident | 69.5 | Low | 98 Ų | 98 | 118.9 Ų | 118.9 | 59% | 0.594 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.7 | -41.7 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | A11 K12 K17 A18 E19 | A11-V15 WeakPolarHBondContact O-CG2 3.28Å; A11-V15 PolarHBondContact O-N 2.83Å; A11-V15 VanDerWaalsContact O-N 3.16Å; K12-V15 PolarHBondContact O-N 3.42Å; V15-K17 PolarHBondContact O-N 2.67Å; V15-A18 PolarHBondContact O-N 3.23Å; V15-E19 PolarHBondContact O-N 3.23Å |
| 16 | G | 68.2 | Low | 69.4 | Low | 40 Ų | 40 | 119.3 Ų | 119.3 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.9 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K12 D13 Q14 K20 | K12-G16 PolarHBondContact O-N 3.37Å; D13-G16 PolarHBondContact O-N 3.03Å; Q14-G16 VanDerWaalsContact C-N 3.34Å; Q14-G16 PolarHBondContact O-N 3.44Å; G16-K20 WeakPolarHBondContact O-CB 3.49Å; G16-K20 PolarHBondContact O-N 3.19Å; G16-K20 VanDerWaalsContact O-N 3.11Å |
| 17 | K | 69.4 | Low | 68.6 | Low | 156 Ų | 156 | 121.2 Ų | 121.2 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.6 | -42.4 | 174.4 | -84 | 179.8 | 178.1 | 172 | 0 | 112.3 | D13 Q14 V15 E19 K20 N21 | D13-K17 PolarHBondContact O-N 3.17Å; Q14-K17 PolarHBondContact O-N 3.38Å; V15-K17 PolarHBondContact O-N 2.67Å; K17-E19 PolarHBondContact O-N 3.35Å; K17-K20 PolarHBondContact O-N 3.31Å; K17-N21 PolarHBondContact O-N 2.83Å; K17-N21 VanDerWaalsContact O-N 3.08Å |
| 18 | A | 67.5 | Low | 67.6 | Low | 60 Ų | 60 | 120.4 Ų | 120.4 | 50% | 0.496 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.2 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q14 V15 N21 K22 | Q14-A18 PolarHBondContact O-N 3.16Å; V15-A18 PolarHBondContact O-N 3.23Å; A18-N21 PolarHBondContact O-N 3.44Å; A18-K22 PolarHBondContact O-N 3.28Å; A18-K22 VanDerWaalsContact O-N 3.13Å |
| 19 | E | 69.9 | Low | 66.7 | Low | 104 Ų | 104 | 118.1 Ų | 118.1 | 49% | 0.486 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.6 | -37.1 | 177.6 | -134.1 | -163.6 | 136.4 | 0 | 0 | 112.2 | V15 K17 K22 R23 | V15-E19 PolarHBondContact O-N 3.23Å; K17-E19 PolarHBondContact O-N 3.35Å; E19-K22 PolarHBondContact O-N 3Å; E19-R23 WeakPolarHBondContact O-CG 3.49Å; E19-R23 PolarHBondContact O-N 3.21Å; E19-R23 VanDerWaalsContact O-N 3.09Å; E19-R23 IonicContact OE1-NE 2.83Å; E19-R23 IonicContact OE1-NH2 3.98Å; E19-R23 PolarHBondContact OE1-NH2 3.49Å |
| 20 | K | 70.4 | Confident | 65.8 | Low | 148 Ų | 148 | 115.2 Ų | 115.2 | 64% | 0.643 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.9 | -39.5 | 176.6 | -162.4 | 175.4 | -178.5 | -178.9 | 0 | 111.8 | G16 K17 R23 L24 | G16-K20 WeakPolarHBondContact O-CB 3.49Å; G16-K20 PolarHBondContact O-N 3.19Å; G16-K20 VanDerWaalsContact O-N 3.11Å; K17-K20 PolarHBondContact O-N 3.31Å; K20-R23 PolarHBondContact O-N 3.45Å; K20-L24 PolarHBondContact O-N 3.3Å; K20-L24 VanDerWaalsContact O-N 3.1Å |
| 21 | N | 68.2 | Low | 64.6 | Low | 103 Ų | 103 | 115 Ų | 115 | 55% | 0.551 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.3 | -43.6 | 174.9 | -81.1 | 3.9 | 0 | 0 | 0 | 112.2 | K17 A18 R23 L24 E25 | K17-N21 PolarHBondContact O-N 2.83Å; K17-N21 VanDerWaalsContact O-N 3.08Å; A18-N21 PolarHBondContact O-N 3.44Å; N21-R23 VanDerWaalsContact C-N 3.27Å; N21-R23 PolarHBondContact O-N 3.01Å; N21-L24 PolarHBondContact O-N 3.32Å; N21-L24 VanDerWaalsContact O-N 3.11Å; N21-E25 PolarHBondContact O-N 3.03Å |
| 22 | K | 71.2 | Confident | 63.4 | Low | 156 Ų | 156 | 114.8 Ų | 114.8 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.9 | -35.4 | 174.3 | -93.3 | -175.6 | 174.8 | 178.5 | 0 | 113.2 | A18 E19 K26 | A18-K22 PolarHBondContact O-N 3.28Å; A18-K22 VanDerWaalsContact O-N 3.13Å; E19-K22 PolarHBondContact O-N 3Å; K22-K26 WeakPolarHBondContact O-CB 3.31Å; K22-K26 PolarHBondContact O-N 3.3Å; K22-K26 VanDerWaalsContact O-N 3.17Å |
| 23 | R | 69.4 | Low | 62.3 | Low | 173 Ų | 173 | 111.6 Ų | 111.6 | 65% | 0.653 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.1 | -32.9 | 176.2 | -72.5 | -176.3 | -173.9 | -143.5 | 4.4 | 112.7 | E19 K20 N21 K27 | E19-R23 WeakPolarHBondContact O-CG 3.49Å; E19-R23 PolarHBondContact O-N 3.21Å; E19-R23 VanDerWaalsContact O-N 3.09Å; E19-R23 IonicContact OE1-NE 2.83Å; E19-R23 IonicContact OE1-NH2 3.98Å; E19-R23 PolarHBondContact OE1-NH2 3.49Å; K20-R23 PolarHBondContact O-N 3.45Å; N21-R23 VanDerWaalsContact C-N 3.27Å; N21-R23 PolarHBondContact O-N 3.01Å; R23-K27 PolarHBondContact O-N 2.99Å |
| 24 | L | 60.1 | Low | 61.4 | Low | 90 Ų | 90 | 111.5 Ų | 111.5 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.9 | -48.5 | 175.8 | -80.5 | 158.7 | 0 | 0 | 0 | 111.3 | K20 N21 K26 K27 E28 | K20-L24 PolarHBondContact O-N 3.3Å; K20-L24 VanDerWaalsContact O-N 3.1Å; N21-L24 PolarHBondContact O-N 3.32Å; N21-L24 VanDerWaalsContact O-N 3.11Å; L24-K26 VanDerWaalsContact C-N 3.3Å; L24-K26 PolarHBondContact O-N 3.16Å; L24-K27 WeakPolarHBondContact O-CB 3.42Å; L24-K27 PolarHBondContact O-N 3.38Å; L24-E28 PolarHBondContact O-N 2.97Å |
| 25 | E | 59.3 | Low | 60.8 | Low | 125 Ų | 125 | 111 Ų | 111 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.4 | -42.8 | 176.4 | -73.8 | -178.7 | 158.3 | 0 | 0 | 111.7 | N21 K27 E28 T29 | N21-E25 PolarHBondContact O-N 3.03Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 3.16Å; E25-E28 PolarHBondContact O-N 3.08Å; E25-T29 PolarHBondContact O-N 3.34Å; E25-T29 PolarHBondContact O-OG1 3.06Å |
| 26 | K | 68.3 | Low | 59.5 | Low | 159 Ų | 159 | 112.9 Ų | 112.9 | 69% | 0.691 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.8 | -34.7 | 177.6 | -165.6 | 173 | -177.8 | 179.1 | 0 | 112.4 | K22 L24 T30 | K22-K26 WeakPolarHBondContact O-CB 3.31Å; K22-K26 PolarHBondContact O-N 3.3Å; K22-K26 VanDerWaalsContact O-N 3.17Å; L24-K26 VanDerWaalsContact C-N 3.3Å; L24-K26 PolarHBondContact O-N 3.16Å; K26-T30 PolarHBondContact O-N 3.47Å; K26-T30 PolarHBondContact O-OG1 3.08Å |
| 27 | K | 53.7 | Low | 58.8 | Low | 151 Ų | 151 | 116.1 Ų | 116.1 | 66% | 0.657 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.5 | -45.9 | 175.4 | -101.5 | -173.8 | 173.3 | -172.5 | 0 | 111.9 | R23 L24 E25 T29 T30 I31 | R23-K27 PolarHBondContact O-N 2.99Å; L24-K27 WeakPolarHBondContact O-CB 3.42Å; L24-K27 PolarHBondContact O-N 3.38Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 3.16Å; K27-T29 VanDerWaalsContact C-N 3.32Å; K27-T29 PolarHBondContact O-N 3.5Å; K27-T30 PolarHBondContact O-N 3.13Å; K27-I31 WeakPolarHBondContact O-CG1 3.43Å; K27-I31 PolarHBondContact O-N 3.11Å; K27-I31 VanDerWaalsContact O-N 3.08Å |
| 28 | E | 50.9 | Low | 57.8 | Low | 134 Ų | 134 | 111.1 Ų | 111.1 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.2 | -39.8 | 178.9 | -71.4 | -176.9 | 163.8 | 0 | 0 | 111.9 | L24 E25 T30 I31 A32 | L24-E28 PolarHBondContact O-N 2.97Å; E25-E28 PolarHBondContact O-N 3.08Å; E28-T30 VanDerWaalsContact C-N 3.33Å; E28-T30 PolarHBondContact O-N 3.35Å; E28-I31 PolarHBondContact O-N 2.95Å; E28-A32 PolarHBondContact O-N 3.25Å; E28-A32 VanDerWaalsContact O-N 3.08Å |
| 29 | T | 50.8 | Low | 56.8 | Low | 85 Ų | 85 | 110.3 Ų | 110.3 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.1 | -35.1 | 177.8 | -36.7 | 0 | 0 | 0 | 0 | 111.9 | E25 K27 I33 | E25-T29 PolarHBondContact O-N 3.34Å; E25-T29 PolarHBondContact O-OG1 3.06Å; K27-T29 VanDerWaalsContact C-N 3.32Å; K27-T29 PolarHBondContact O-N 3.5Å; T29-I33 HydrophobicContact CG2-CD1 4.47Å; T29-I33 WeakPolarHBondContact O-CG1 3.37Å; T29-I33 PolarHBondContact O-N 3.46Å |
| 30 | T | 51.6 | Low | 55.8 | Low | 71 Ų | 71 | 113.1 Ų | 113.1 | 44% | 0.436 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69 | -42.6 | 177.7 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | K26 K27 E28 A32 I33 D34 | K26-T30 PolarHBondContact O-N 3.47Å; K26-T30 PolarHBondContact O-OG1 3.08Å; K27-T30 PolarHBondContact O-N 3.13Å; E28-T30 VanDerWaalsContact C-N 3.33Å; E28-T30 PolarHBondContact O-N 3.35Å; T30-A32 VanDerWaalsContact C-N 3.33Å; T30-A32 PolarHBondContact O-N 3.49Å; T30-I33 PolarHBondContact O-N 3.06Å; T30-D34 PolarHBondContact O-N 3.05Å; T30-D34 VanDerWaalsContact O-N 3.08Å |
| 31 | I | 48.8 | Very low | 54.8 | Low | 96 Ų | 96 | 114.2 Ų | 114.2 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.5 | -41.3 | 177.6 | -64.5 | 164.3 | 0 | 0 | 0 | 110.9 | K27 E28 I33 D34 E35 | K27-I31 WeakPolarHBondContact O-CG1 3.43Å; K27-I31 PolarHBondContact O-N 3.11Å; K27-I31 VanDerWaalsContact O-N 3.08Å; E28-I31 PolarHBondContact O-N 2.95Å; I31-I33 VanDerWaalsContact C-N 3.33Å; I31-I33 PolarHBondContact O-N 2.88Å; I31-D34 PolarHBondContact O-N 3.4Å; I31-E35 WeakPolarHBondContact O-CG 3.38Å; I31-E35 PolarHBondContact O-N 3.33Å |
| 32 | A | 46.4 | Very low | 53.9 | Low | 52 Ų | 52 | 114.4 Ų | 114.4 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.1 | -34.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E28 T30 M36 | E28-A32 PolarHBondContact O-N 3.25Å; E28-A32 VanDerWaalsContact O-N 3.08Å; T30-A32 VanDerWaalsContact C-N 3.33Å; T30-A32 PolarHBondContact O-N 3.49Å; A32-M36 PolarHBondContact O-N 3.48Å |
| 33 | I | 50.8 | Low | 52.7 | Low | 93 Ų | 93 | 114.5 Ų | 114.5 | 48% | 0.477 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -72.5 | -42.9 | 177.2 | -65.7 | 167.7 | 0 | 0 | 0 | 110.5 | T29 T30 I31 E35 M36 E37 | T29-I33 HydrophobicContact CG2-CD1 4.47Å; T29-I33 WeakPolarHBondContact O-CG1 3.37Å; T29-I33 PolarHBondContact O-N 3.46Å; T30-I33 PolarHBondContact O-N 3.06Å; I31-I33 VanDerWaalsContact C-N 3.33Å; I31-I33 PolarHBondContact O-N 2.88Å; I33-E35 VanDerWaalsContact C-N 3.34Å; I33-E35 PolarHBondContact O-N 3.15Å; I33-M36 PolarHBondContact O-N 2.98Å; I33-E37 PolarHBondContact O-N 3.4Å |
| 34 | D | 53.2 | Low | 51.4 | Low | 98 Ų | 98 | 114.7 Ų | 114.7 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -38.6 | 178.2 | -75.1 | -19.5 | 0 | 0 | 0 | 111.9 | T30 I31 E37 A38 | T30-D34 PolarHBondContact O-N 3.05Å; T30-D34 VanDerWaalsContact O-N 3.08Å; I31-D34 PolarHBondContact O-N 3.4Å; D34-E37 PolarHBondContact O-N 3.06Å; D34-A38 WeakPolarHBondContact O-CB 3.12Å; D34-A38 PolarHBondContact O-N 2.95Å |
| 35 | E | 56 | Low | 50.5 | Low | 140 Ų | 140 | 116.2 Ų | 116.2 | 65% | 0.654 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.4 | -37.3 | 174.8 | -75.7 | -172.5 | 168.9 | 0 | 0 | 112.5 | I31 I33 G39 | I31-E35 WeakPolarHBondContact O-CG 3.38Å; I31-E35 PolarHBondContact O-N 3.33Å; I33-E35 VanDerWaalsContact C-N 3.34Å; I33-E35 PolarHBondContact O-N 3.15Å; E35-G39 PolarHBondContact O-N 3.48Å |
| 36 | M | 45.9 | Very low | 49.6 | Very low | 136 Ų | 136 | 115.2 Ų | 115.2 | 67% | 0.67 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68 | -35.6 | 174.8 | -88.9 | -176.1 | 28.9 | 0 | 0 | 112.8 | A32 I33 K40 | A32-M36 PolarHBondContact O-N 3.48Å; I33-M36 PolarHBondContact O-N 2.98Å; M36-K40 PolarHBondContact O-N 3.39Å |
| 37 | E | 52.1 | Low | 48.3 | Very low | 108 Ų | 108 | 115.7 Ų | 115.7 | 51% | 0.505 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.6 | -39.3 | 175.1 | -75.8 | -153.6 | 163.7 | 0 | 0 | 112.6 | I33 D34 K40 R41 | I33-E37 PolarHBondContact O-N 3.4Å; D34-E37 PolarHBondContact O-N 3.06Å; E37-K40 PolarHBondContact O-N 3Å; E37-R41 PolarHBondContact O-N 3.29Å; E37-R41 VanDerWaalsContact O-N 3.16Å; E37-R41 IonicContact OE2-NH2 3.44Å |
| 38 | A | 50.3 | Low | 47.6 | Very low | 51 Ų | 51 | 112.8 Ų | 112.8 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.5 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D34 K40 R41 D42 | D34-A38 WeakPolarHBondContact O-CB 3.12Å; D34-A38 PolarHBondContact O-N 2.95Å; A38-K40 VanDerWaalsContact C-N 3.25Å; A38-K40 PolarHBondContact O-N 2.9Å; A38-R41 PolarHBondContact O-N 3.41Å; A38-R41 VanDerWaalsContact O-N 3.11Å; A38-D42 PolarHBondContact O-N 2.89Å; A38-D42 VanDerWaalsContact O-N 3.12Å |
| 39 | G | 45.6 | Very low | 46.9 | Very low | 44 Ų | 44 | 112 Ų | 112 | 45% | 0.454 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.7 | -27.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E35 | E35-G39 PolarHBondContact O-N 3.48Å |
| 40 | K | 48.2 | Very low | 46.1 | Very low | 162 Ų | 162 | 112.2 Ų | 112.2 | 70% | 0.704 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -78.8 | -30.9 | 174.1 | -84.3 | -175.6 | 178.1 | 177.3 | 0 | 113.2 | M36 E37 A38 K44 | M36-K40 PolarHBondContact O-N 3.39Å; E37-K40 PolarHBondContact O-N 3Å; A38-K40 VanDerWaalsContact C-N 3.25Å; A38-K40 PolarHBondContact O-N 2.9Å; K40-K44 PolarHBondContact O-N 3.4Å |
| 41 | R | 50.2 | Low | 45 | Very low | 171 Ų | 171 | 116.3 Ų | 116.3 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73 | -43.2 | 176.2 | -72.8 | -172.3 | -156 | 177.1 | 9.7 | 111.9 | E37 A38 K43 K44 Q45 | E37-R41 PolarHBondContact O-N 3.29Å; E37-R41 VanDerWaalsContact O-N 3.16Å; E37-R41 IonicContact OE2-NH2 3.44Å; A38-R41 PolarHBondContact O-N 3.41Å; A38-R41 VanDerWaalsContact O-N 3.11Å; R41-K43 VanDerWaalsContact C-N 3.26Å; R41-K43 PolarHBondContact O-N 3.49Å; R41-K44 PolarHBondContact O-N 2.92Å; R41-K44 VanDerWaalsContact O-N 3.11Å; R41-Q45 PolarHBondContact O-N 2.74Å; R41-Q45 VanDerWaalsContact O-N 3.1Å |
| 42 | D | 49.6 | Very low | 44 | Very low | 107 Ų | 107 | 120.1 Ų | 120.1 | 57% | 0.572 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.6 | -36 | -179.9 | -75.9 | -16.2 | 0 | 0 | 0 | 111.9 | A38 K44 Q45 T46 | A38-D42 PolarHBondContact O-N 2.89Å; A38-D42 VanDerWaalsContact O-N 3.12Å; D42-K44 VanDerWaalsContact C-N 3.34Å; D42-K44 PolarHBondContact O-N 2.91Å; D42-Q45 PolarHBondContact O-N 2.59Å; D42-T46 PolarHBondContact O-N 2.81Å; D42-T46 VanDerWaalsContact O-N 3.07Å; D42-T46 PolarHBondContact O-OG1 3.27Å |
| 43 | K | 44.9 | Very low | 43.3 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.8 | -33.5 | 177.7 | -132.7 | 179.7 | -175.6 | -173.1 | 0 | 113 | R41 | R41-K43 VanDerWaalsContact C-N 3.26Å; R41-K43 PolarHBondContact O-N 3.49Å |
| 44 | K | 42.2 | Very low | 42.1 | Very low | 178 Ų | 178 | 127.9 Ų | 127.9 | 77% | 0.774 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -79.4 | -25.1 | 178.8 | -148.6 | 178.9 | -174.8 | -175.3 | 0 | 112.7 | K40 R41 D42 | K40-K44 PolarHBondContact O-N 3.4Å; R41-K44 PolarHBondContact O-N 2.92Å; R41-K44 VanDerWaalsContact O-N 3.11Å; D42-K44 VanDerWaalsContact C-N 3.34Å; D42-K44 PolarHBondContact O-N 2.91Å |
| 45 | Q | 40.9 | Very low | 40.8 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -85.4 | -29.6 | 179.1 | -146.3 | 161.9 | -2.3 | 0 | 0 | 112.5 | R41 D42 E47 S48 | R41-Q45 PolarHBondContact O-N 2.74Å; R41-Q45 VanDerWaalsContact O-N 3.1Å; D42-Q45 PolarHBondContact O-N 2.59Å; Q45-E47 PolarHBondContact O-N 3.23Å; Q45-S48 PolarHBondContact O-N 3.44Å |
| 46 | T | 41.1 | Very low | 39.6 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 63% | 0.632 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.6 | -29.9 | 178.8 | -46.5 | 0 | 0 | 0 | 0 | 112.6 | D42 S48 | D42-T46 PolarHBondContact O-N 2.81Å; D42-T46 VanDerWaalsContact O-N 3.07Å; D42-T46 PolarHBondContact O-OG1 3.27Å; T46-S48 VanDerWaalsContact C-N 3.34Å; T46-S48 PolarHBondContact O-N 3.09Å |
| 47 | E | 40.4 | Very low | 38.7 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -16.5 | 177.2 | -74.2 | 178.9 | 173.9 | 0 | 0 | 113.8 | Q45 | Q45-E47 PolarHBondContact O-N 3.23Š|
| 48 | S | 39.4 | Very low | 37.7 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -22.3 | 179.9 | -169.9 | 0 | 0 | 0 | 0 | 114.2 | Q45 T46 | Q45-S48 PolarHBondContact O-N 3.44Å; T46-S48 VanDerWaalsContact C-N 3.34Å; T46-S48 PolarHBondContact O-N 3.09Å |
| 49 | N | 36.4 | Very low | 36.5 | Very low | 117 Ų | 117 | 137 Ų | 137 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -96.2 | -2.5 | -172.4 | -76.7 | -4.1 | 0 | 0 | 0 | 114.4 | N51 | N49-N51 PolarHBondContact O-N 3.42Š|
| 50 | A | 34.8 | Very low | 35.7 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -1.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 51 | N | 28.3 | Very low | 34.8 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -1.3 | -172.4 | -133.6 | 19.6 | 0 | 0 | 0 | 117.2 | N49 | N49-N51 PolarHBondContact O-N 3.42Š|
| 52 | E | 28 | Very low | 33.6 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | -149.7 | 98.9 | 175.1 | -80.2 | -175.1 | 135.7 | 0 | 0 | 111.1 | ||||
| 53 | Q | 30.4 | Very low | 32.6 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 97% | 0.967 | 78% | 0.779 | S | S | * | * | trans | -167.1 | 82 | 145.7 | -108.7 | 166.9 | 8.7 | 0 | 0 | 110.2 | ||||
| 54 | S | 26 | Very low | 31.7 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -98.6 | 128.3 | 161.9 | 133.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 55 | L | 25.8 | Very low | 31 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 55 | 101.5 | 154.5 | -68.1 | 157.6 | 0 | 0 | 0 | 118.4 | ||||
| 56 | T | 31.6 | Very low | 30.4 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -145.8 | 115.2 | 138.5 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 57 | N | 26 | Very low | 29.7 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -62.2 | 134.8 | 159.9 | -70 | -35.5 | 0 | 0 | 0 | 109.2 | ||||
| 58 | A | 30.5 | Very low | 29.2 | Very low | 99 Ų | 99 | 148.1 Ų | 148.1 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -133.3 | 107 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 59 | D | 26.5 | Very low | 28.7 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 92% | 0.92 | 83% | 0.834 | S | S | * | * | trans | -51.3 | 144.4 | 166.2 | -163.7 | 2.3 | 0 | 0 | 0 | 111.8 | ||||
| 60 | G | 28 | Very low | 28.5 | Very low | 63 Ų | 63 | 150.2 Ų | 150.2 | 65% | 0.649 | 84% | 0.836 | S | S | * | * | trans | 168.9 | 85.5 | 180 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 61 | K | 30.4 | Very low | 28.6 | Very low | 201 Ų | 201 | 152.5 Ų | 152.5 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | 86.8 | 110.1 | 144.7 | -67.4 | -177.8 | 175.6 | 177.2 | 0 | 119.5 | ||||
| 62 | D | 24 | Very low | 28.8 | Very low | 165 Ų | 165 | 153.4 Ų | 153.4 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | trans | -48.4 | 124.3 | 157.4 | -58.6 | -64.9 | 0 | 0 | 0 | 113.6 | ||||
| 63 | M | 29.6 | Very low | 29.2 | Very low | 184 Ų | 184 | 149 Ų | 149 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -121.5 | 108.9 | 152 | -87.9 | -166.3 | 160.1 | 0 | 0 | 108.3 | P65 | M63-P65 WeakPolarHBondContact O-CD 3.47Š| ||
| 64 | K | 24.5 | Very low | 29.6 | Very low | 204 Ų | 204 | 144.4 Ų | 144.4 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -58 | 121.8 | 169.4 | -91.1 | -179.1 | 170.9 | 178.2 | 0 | 110 | ||
| 65 | P | 28.9 | Very low | 30 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 137.8 | 170.4 | -8.7 | 25.7 | 0 | 0 | 0 | 110.5 | M63 Q67 | M63-P65 WeakPolarHBondContact O-CD 3.47Å; P65-Q67 PolarHBondContact O-N 3.13Å |
| 66 | A | 27.3 | Very low | 30.6 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 121.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | K68 | A66-K68 PolarHBondContact O-N 3.01Š|
| 67 | Q | 26.9 | Very low | 30.8 | Very low | 202 Ų | 202 | 141.3 Ų | 141.3 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -61.3 | 101.4 | 169.6 | -79.8 | 173.4 | -30.5 | 0 | 0 | 109.5 | P65 | P65-Q67 PolarHBondContact O-N 3.13Š| ||
| 68 | K | 28.9 | Very low | 31.1 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -100.2 | 122.9 | 160.5 | -131.7 | 178.6 | -176.8 | -176.9 | 0 | 107.3 | A66 A70 | A66-K68 PolarHBondContact O-N 3.01Å; K68-A70 PolarHBondContact O-N 3.11Å | ||
| 69 | L | 30.1 | Very low | 31.5 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -41 | 114.5 | -177.3 | -156.4 | 75.9 | 0 | 0 | 0 | 111.3 | K71 | L69-K71 PolarHBondContact O-N 2.9Š| ||
| 70 | A | 31.9 | Very low | 31.9 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108 | K68 E72 | K68-A70 PolarHBondContact O-N 3.11Å; A70-E72 PolarHBondContact O-N 3.3Å |
| 71 | K | 36.6 | Very low | 32.6 | Very low | 140 Ų | 140 | 141 Ų | 141 | 61% | 0.609 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 116.4 | 161 | -80.2 | 178.7 | -175.4 | 167.5 | 0 | 105.7 | L69 E108 | L69-K71 PolarHBondContact O-N 2.9Å; K71-E108 IonicContact NZ-OE1 3.2Å; K71-E108 PolarHBondContact NZ-OE1 3.16Å |
| 72 | E | 32.4 | Very low | 32.9 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 138.6 | 169.2 | -89.3 | 178.4 | 141.1 | 0 | 0 | 109.3 | A70 | A70-E72 PolarHBondContact O-N 3.3Š|
| 73 | P | 37.2 | Very low | 33.7 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 55% | 0.552 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 134.3 | 172.5 | 23.6 | -31.8 | 0 | 0 | 0 | 108.5 | ||
| 74 | P | 38.1 | Very low | 34.2 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 140.3 | 168.2 | 24.4 | -30.9 | 0 | 0 | 0 | 108 | A76 | P74-A76 PolarHBondContact O-N 3.49Å; P74-A76 VanDerWaalsContact O-N 3.11Å |
| 75 | P | 35.2 | Very low | 34.9 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 122.3 | -168.8 | 20.3 | -31.9 | 0 | 0 | 0 | 109.7 | T77 | P75-T77 PolarHBondContact O-N 3.3Å; P75-T77 VanDerWaalsContact O-N 3.16Å |
| 76 | A | 37.5 | Very low | 35.5 | Very low | 83 Ų | 83 | 130 Ų | 130 | 69% | 0.686 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 124.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | P74 N78 | P74-A76 PolarHBondContact O-N 3.49Å; P74-A76 VanDerWaalsContact O-N 3.11Å; A76-N78 PolarHBondContact O-N 3.45Å |
| 77 | T | 35.3 | Very low | 36.3 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | trans | -45.3 | 108.8 | 173.3 | 30.4 | 0 | 0 | 0 | 0 | 109.5 | P75 S79 | P75-T77 PolarHBondContact O-N 3.3Å; P75-T77 VanDerWaalsContact O-N 3.16Å; T77-S79 PolarHBondContact O-N 3.22Å | ||
| 78 | N | 34 | Very low | 37 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 88% | 0.877 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 2.4 | 82.4 | 165.8 | -61.1 | -17.4 | 0 | 0 | 0 | 116.1 | A76 | A76-N78 PolarHBondContact O-N 3.45Š|
| 79 | S | 39.3 | Very low | 37.5 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | trans | -134.2 | 89.6 | 146.2 | 62.4 | 0 | 0 | 0 | 0 | 106.2 | T77 D81 | T77-S79 PolarHBondContact O-N 3.22Å; S79-D81 PolarHBondContact O-N 2.88Å | ||
| 80 | S | 34.6 | Very low | 38 | Very low | 121 Ų | 121 | 120.4 Ų | 120.4 | 85% | 0.846 | 69% | 0.691 | S | S | * | * | trans | -68.8 | 63.8 | 169.8 | 57.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 81 | D | 42.5 | Very low | 38.6 | Very low | 120 Ų | 120 | 121 Ų | 121 | 64% | 0.642 | 69% | 0.69 | S | S | * | * | trans | -102.2 | 104.5 | 179.6 | -69 | -22.4 | 0 | 0 | 0 | 107.6 | S79 | S79-D81 PolarHBondContact O-N 2.88Š| ||
| 82 | N | 36.9 | Very low | 39.4 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 54% | 0.535 | 69% | 0.692 | S | S | . | * | trans | -30.6 | 129.2 | 174.3 | -157 | 7.6 | 0 | 0 | 0 | 111.7 | E84 D85 | N82-E84 PolarHBondContact ND2-OE2 3.17Å; N82-E84 PolarHBondContact O-N 2.91Å; N82-D85 PolarHBondContact O-N 3.03Å | ||
| 83 | W | 39.7 | Very low | 40.2 | Very low | 220 Ų | 220 | 121.7 Ų | 121.7 | 83% | 0.833 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | -17.3 | 177.3 | -85.4 | 93.7 | 0 | 0 | 0 | 113.7 | L86 | W83-L86 HydrophobicContact CD2-CD1 4.1Å; W83-L86 HydrophobicContact CE3-CD1 3.5Å; W83-L86 HydrophobicContact CZ3-CD1 3.74Å; W83-L86 WeakPolarHBondContact O-CB 3.33Å |
| 84 | E | 39.9 | Very low | 41.6 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 65% | 0.654 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -24.9 | 175 | -64.4 | -173.9 | 145.6 | 0 | 0 | 114.1 | N82 | N82-E84 PolarHBondContact ND2-OE2 3.17Å; N82-E84 PolarHBondContact O-N 2.91Å |
| 85 | D | 40.1 | Very low | 43.5 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 45% | 0.449 | 68% | 0.677 | S | S | . | * | G | 310 helix | trans | -83 | -13.8 | 176.3 | -79.9 | -31.9 | 0 | 0 | 0 | 113 | N82 Q87 K88 | N82-D85 PolarHBondContact O-N 3.03Å; D85-Q87 PolarHBondContact O-N 3.11Å; D85-K88 PolarHBondContact O-N 3.35Å; D85-K88 VanDerWaalsContact O-N 3.12Å; D85-K88 IonicContact OD1-NZ 3.97Å; D85-K88 PolarHBondContact OD1-NZ 3.48Å |
| 86 | L | 40.5 | Very low | 45.4 | Very low | 101 Ų | 101 | 118 Ų | 118 | 53% | 0.529 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -64.5 | -23.8 | 172.9 | -99.8 | 156.5 | 0 | 0 | 0 | 113.3 | W83 K88 L92 | W83-L86 HydrophobicContact CD2-CD1 4.1Å; W83-L86 HydrophobicContact CE3-CD1 3.5Å; W83-L86 HydrophobicContact CZ3-CD1 3.74Å; W83-L86 WeakPolarHBondContact O-CB 3.33Å; L86-K88 VanDerWaalsContact C-N 3.34Å; L86-L92 HydrophobicContact CD2-CD1 4.14Å |
| 87 | Q | 44.4 | Very low | 47.3 | Very low | 182 Ų | 182 | 120.9 Ų | 120.9 | 85% | 0.85 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -81 | -12.2 | 175.6 | -80 | -170.9 | -24.7 | 0 | 0 | 113.6 | D85 G89 | D85-Q87 PolarHBondContact O-N 3.11Å; Q87-G89 PolarHBondContact O-N 3.46Å |
| 88 | K | 42.4 | Very low | 49.5 | Very low | 154 Ų | 154 | 118.3 Ų | 118.3 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -95.1 | 62.2 | -177.4 | -70.2 | -178.6 | -170.4 | 151.2 | 0 | 112.4 | D85 L86 G90 | D85-K88 PolarHBondContact O-N 3.35Å; D85-K88 VanDerWaalsContact O-N 3.12Å; D85-K88 IonicContact OD1-NZ 3.97Å; D85-K88 PolarHBondContact OD1-NZ 3.48Å; L86-K88 VanDerWaalsContact C-N 3.34Å; K88-G90 PolarHBondContact O-N 3.05Å |
| 89 | G | 39.1 | Very low | 51.7 | Low | 81 Ų | 81 | 113.4 Ų | 113.4 | 84% | 0.835 | 63% | 0.628 | S | S | * | * | trans | 51.1 | 20.6 | 158 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q87 S91 | Q87-G89 PolarHBondContact O-N 3.46Å; G89-S91 PolarHBondContact O-N 3.37Å | ||
| 90 | G | 41.3 | Very low | 53.7 | Low | 58 Ų | 58 | 113.4 Ų | 113.4 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | trans | -73.2 | 110.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | K88 L92 | K88-G90 PolarHBondContact O-N 3.05Å; G90-L92 PolarHBondContact O-N 3.08Å | ||
| 91 | S | 43.5 | Very low | 55.9 | Low | 93 Ų | 93 | 114.5 Ų | 114.5 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | trans | -51.9 | 100.2 | 169 | 164.9 | 0 | 0 | 0 | 0 | 108.8 | G89 Y93 | G89-S91 PolarHBondContact O-N 3.37Å; S91-Y93 PolarHBondContact O-N 3.47Å | ||
| 92 | L | 52.9 | Low | 57.8 | Low | 127 Ų | 127 | 111.2 Ų | 111.2 | 67% | 0.665 | 60% | 0.599 | S | S | * | * | trans | -66.1 | 106.2 | 176.9 | -138.9 | 106 | 0 | 0 | 0 | 106.8 | L86 G90 V94 | L86-L92 HydrophobicContact CD2-CD1 4.14Å; G90-L92 PolarHBondContact O-N 3.08Å; L92-V94 HydrophobicContact CB-CG2 4.35Å; L92-V94 HydrophobicContact CD2-CG2 3.75Å; L92-V94 PolarHBondContact O-N 2.96Å | ||
| 93 | Y | 50 | Low | 60 | Low | 203 Ų | 203 | 108.8 Ų | 108.8 | 80% | 0.796 | 59% | 0.585 | S | S | * | * | trans | -69.6 | 87.1 | 169.6 | -84.4 | -88.8 | 0 | 0 | 0 | 107.5 | S91 T95 | S91-Y93 PolarHBondContact O-N 3.47Å; Y93-T95 PolarHBondContact O-N 3.25Å | ||
| 94 | V | 67.7 | Low | 62.1 | Low | 88 Ų | 88 | 104.1 Ų | 104.1 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | trans | -76.4 | 108.8 | 171.4 | 177.2 | 0 | 0 | 0 | 0 | 106.9 | L92 V99 | L92-V94 HydrophobicContact CB-CG2 4.35Å; L92-V94 HydrophobicContact CD2-CG2 3.75Å; L92-V94 PolarHBondContact O-N 2.96Å; V94-V99 HydrophobicContact CG1-CG2 3.39Å | ||
| 95 | T | 77.6 | Confident | 64.2 | Low | 68 Ų | 68 | 102.6 Ų | 102.6 | 42% | 0.417 | 56% | 0.564 | S | S | . | * | trans | -77.9 | 157 | 174.2 | 69.6 | 0 | 0 | 0 | 0 | 110.4 | Y93 E97 D98 V99 | Y93-T95 PolarHBondContact O-N 3.25Å; T95-E97 PolarHBondContact O-N 3.06Å; T95-D98 WeakPolarHBondContact CB-OD2 3.47Å; T95-D98 PolarHBondContact N-OD2 3.3Å; T95-D98 PolarHBondContact O-N 3.21Å; T95-D98 VanDerWaalsContact O-N 3.14Å; T95-D98 PolarHBondContact OG1-N 2.89Å; T95-D98 PolarHBondContact OG1-OD2 3Å; T95-V99 PolarHBondContact O-N 3.08Å | ||
| 96 | A | 75.2 | Confident | 66.3 | Low | 81 Ų | 81 | 100.1 Ų | 100.1 | 67% | 0.669 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -58.5 | -32.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V99 V100 | A96-V99 PolarHBondContact O-N 3.07Å; A96-V100 VanDerWaalsContact O-CG2 3.31Å; A96-V100 WeakPolarHBondContact O-CG2 3.31Å; A96-V100 PolarHBondContact O-N 2.84Å |
| 97 | E | 76.5 | Confident | 68.4 | Low | 143 Ų | 143 | 99.7 Ų | 99.7 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.3 | -38.7 | 176.8 | -64 | -174.7 | -179.8 | 0 | 0 | 112.2 | T95 V100 R101 | T95-E97 PolarHBondContact O-N 3.06Å; E97-V100 PolarHBondContact O-N 3.42Å; E97-R101 WeakPolarHBondContact O-CB 3.41Å; E97-R101 PolarHBondContact O-N 3.32Å |
| 98 | D | 82.4 | Confident | 70.3 | Confident | 70 Ų | 70 | 97.1 Ų | 97.1 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 176.3 | -61.4 | -44.5 | 0 | 0 | 0 | 111.5 | T95 R101 A102 | T95-D98 WeakPolarHBondContact CB-OD2 3.47Å; T95-D98 PolarHBondContact N-OD2 3.3Å; T95-D98 PolarHBondContact O-N 3.21Å; T95-D98 VanDerWaalsContact O-N 3.14Å; T95-D98 PolarHBondContact OG1-N 2.89Å; T95-D98 PolarHBondContact OG1-OD2 3Å; D98-R101 PolarHBondContact O-N 3.26Å; D98-A102 WeakPolarHBondContact O-CB 3.26Å; D98-A102 PolarHBondContact O-N 3.31Å |
| 99 | V | 79.9 | Confident | 72.5 | Confident | 62 Ų | 62 | 93.2 Ų | 93.2 | 38% | 0.376 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | V94 T95 A96 R101 A102 I103 | V94-V99 HydrophobicContact CG1-CG2 3.39Å; T95-V99 PolarHBondContact O-N 3.08Å; A96-V99 PolarHBondContact O-N 3.07Å; V99-R101 VanDerWaalsContact C-N 3.33Å; V99-R101 PolarHBondContact O-N 3.48Å; V99-A102 PolarHBondContact O-N 3.36Å; V99-I103 HydrophobicContact CG1-CD1 3.83Å; V99-I103 HydrophobicContact CG1-CG1 4.44Å; V99-I103 VanDerWaalsContact O-CG1 3.26Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 2.9Å |
| 100 | V | 80.9 | Confident | 74.8 | Confident | 85 Ų | 85 | 92.8 Ų | 92.8 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | A96 E97 A102 I103 M104 | A96-V100 VanDerWaalsContact O-CG2 3.31Å; A96-V100 WeakPolarHBondContact O-CG2 3.31Å; A96-V100 PolarHBondContact O-N 2.84Å; E97-V100 PolarHBondContact O-N 3.42Å; V100-A102 PolarHBondContact O-N 3.32Å; V100-I103 PolarHBondContact O-N 3.07Å; V100-M104 WeakPolarHBondContact O-CG 3.04Å; V100-M104 PolarHBondContact O-N 2.96Å |
| 101 | R | 81.4 | Confident | 76.9 | Confident | 145 Ų | 145 | 98.2 Ų | 98.2 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 178.8 | -165.5 | -179.3 | -59.7 | 169.3 | 6.7 | 112.1 | E97 D98 V99 M104 Y105 | E97-R101 WeakPolarHBondContact O-CB 3.41Å; E97-R101 PolarHBondContact O-N 3.32Å; D98-R101 PolarHBondContact O-N 3.26Å; V99-R101 VanDerWaalsContact C-N 3.33Å; V99-R101 PolarHBondContact O-N 3.48Å; R101-M104 PolarHBondContact O-N 3.16Å; R101-Y105 WeakPolarHBondContact O-CB 3.44Å; R101-Y105 PolarHBondContact O-N 3.44Å |
| 102 | A | 82.5 | Confident | 78.9 | Confident | 50 Ų | 50 | 97.3 Ų | 97.3 | 41% | 0.413 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D98 V99 V100 Y105 I106 | D98-A102 WeakPolarHBondContact O-CB 3.26Å; D98-A102 PolarHBondContact O-N 3.31Å; V99-A102 PolarHBondContact O-N 3.36Å; V100-A102 PolarHBondContact O-N 3.32Å; A102-Y105 PolarHBondContact O-N 3.08Å; A102-I106 VanDerWaalsContact O-CG1 3.28Å; A102-I106 WeakPolarHBondContact O-CG1 3.27Å; A102-I106 PolarHBondContact O-N 3.38Å |
| 103 | I | 83 | Confident | 80.3 | Confident | 49 Ų | 49 | 95.9 Ų | 95.9 | 25% | 0.251 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 176 | -68.9 | 167.4 | 0 | 0 | 0 | 110.9 | V99 V100 Y105 I106 E107 Y114 F121 | V99-I103 HydrophobicContact CG1-CD1 3.83Å; V99-I103 HydrophobicContact CG1-CG1 4.44Å; V99-I103 VanDerWaalsContact O-CG1 3.26Å; V99-I103 WeakPolarHBondContact O-CG1 3.4Å; V99-I103 PolarHBondContact O-N 2.9Å; V100-I103 PolarHBondContact O-N 3.07Å; I103-Y105 VanDerWaalsContact C-N 3.32Å; I103-Y105 PolarHBondContact O-N 3.14Å; I103-I106 PolarHBondContact O-N 2.88Å; I103-E107 PolarHBondContact O-N 3.44Å; I103-Y114 HydrophobicContact CG2-CD2 4.3Å; I103-Y114 HydrophobicContact CG2-CE2 3.81Å; I103-F121 HydrophobicContact CD1-CE2 4.25Å |
| 104 | M | 82.2 | Confident | 81.9 | Confident | 122 Ų | 122 | 89.2 Ų | 89.2 | 60% | 0.601 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.3 | -38.6 | 177 | -71.6 | -168.1 | 75.2 | 0 | 0 | 112.4 | V100 R101 E107 E108 | V100-M104 WeakPolarHBondContact O-CG 3.04Å; V100-M104 PolarHBondContact O-N 2.96Å; R101-M104 PolarHBondContact O-N 3.16Å; M104-E107 PolarHBondContact O-N 3.37Å; M104-E108 PolarHBondContact O-N 3.43Å; M104-E108 VanDerWaalsContact O-N 3.16Å |
| 105 | Y | 85.1 | Confident | 82.5 | Confident | 109 Ų | 109 | 91.1 Ų | 91.1 | 43% | 0.427 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 175.9 | 179.1 | -92.5 | 0 | 0 | 0 | 112 | R101 A102 I103 E107 E108 N109 | R101-Y105 WeakPolarHBondContact O-CB 3.44Å; R101-Y105 PolarHBondContact O-N 3.44Å; A102-Y105 PolarHBondContact O-N 3.08Å; I103-Y105 VanDerWaalsContact C-N 3.32Å; I103-Y105 PolarHBondContact O-N 3.14Å; Y105-E107 VanDerWaalsContact C-N 3.34Å; Y105-E108 PolarHBondContact O-N 2.67Å; Y105-N109 WeakPolarHBondContact CD2-ND2 3.24Å; Y105-N109 HydrophobicContact CE1-CB 4.4Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.47Å; Y105-N109 VanDerWaalsContact CZ-ND2 3.3Å; Y105-N109 WeakPolarHBondContact O-CB 3.3Å; Y105-N109 PolarHBondContact O-N 2.95Å; Y105-N109 PolarHBondContact O-ND2 3.3Å |
| 106 | I | 84.3 | Confident | 82.8 | Confident | 31 Ų | 31 | 94.7 Ų | 94.7 | 16% | 0.159 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -66 | -39.1 | 177 | -64.6 | 168.2 | 0 | 0 | 0 | 110.2 | A102 I103 E108 N109 D110 E113 L117 | A102-I106 VanDerWaalsContact O-CG1 3.28Å; A102-I106 WeakPolarHBondContact O-CG1 3.27Å; A102-I106 PolarHBondContact O-N 3.38Å; I103-I106 PolarHBondContact O-N 2.88Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.31Å; I106-N109 PolarHBondContact O-N 3.24Å; I106-D110 CarbonylContact O-C 3.19Å; I106-D110 WeakPolarHBondContact O-CA 3.35Å; I106-D110 PolarHBondContact O-N 3.01Å; I106-D110 VanDerWaalsContact O-O 3.06Å; I106-E113 HydrophobicContact CG2-CB 3.88Å; I106-E113 HydrophobicContact CG2-CG 4.1Å; I106-L117 HydrophobicContact CD1-CD1 3.61Å; I106-L117 HydrophobicContact CG2-CD1 4.21Å |
| 107 | E | 83.4 | Confident | 83.1 | Confident | 93 Ų | 93 | 93 Ų | 93 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 176 | -166.4 | -179.6 | 172.2 | 0 | 0 | 112.9 | I103 M104 Y105 Y114 | I103-E107 PolarHBondContact O-N 3.44Å; M104-E107 PolarHBondContact O-N 3.37Å; Y105-E107 VanDerWaalsContact C-N 3.34Å; E107-Y114 HydrophobicContact CB-CD2 3.53Å; E107-Y114 HydrophobicContact CB-CE2 3.7Å; E107-Y114 HydrophobicContact CB-CG 4.14Å; E107-Y114 HydrophobicContact CG-CD1 4.42Å; E107-Y114 HydrophobicContact CG-CD2 3.87Å; E107-Y114 HydrophobicContact CG-CE1 4.36Å; E107-Y114 HydrophobicContact CG-CE2 3.76Å; E107-Y114 HydrophobicContact CG-CG 4.18Å |
| 108 | E | 84.8 | Confident | 83.2 | Confident | 127 Ų | 127 | 89.9 Ų | 89.9 | 59% | 0.593 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -76.5 | -36.3 | -179.6 | -165.8 | 175.5 | 174 | 0 | 0 | 112.5 | K71 M104 Y105 I106 | K71-E108 IonicContact NZ-OE1 3.2Å; K71-E108 PolarHBondContact NZ-OE1 3.16Å; M104-E108 PolarHBondContact O-N 3.43Å; M104-E108 VanDerWaalsContact O-N 3.16Å; Y105-E108 PolarHBondContact O-N 2.67Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.31Å |
| 109 | N | 88.2 | Confident | 83 | Confident | 72 Ų | 72 | 91 Ų | 91 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -100.1 | -37.4 | -170.8 | -65.8 | -72.4 | 0 | 0 | 0 | 114.8 | Y105 I106 | Y105-N109 WeakPolarHBondContact CD2-ND2 3.24Å; Y105-N109 HydrophobicContact CE1-CB 4.4Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.47Å; Y105-N109 VanDerWaalsContact CZ-ND2 3.3Å; Y105-N109 WeakPolarHBondContact O-CB 3.3Å; Y105-N109 PolarHBondContact O-N 2.95Å; Y105-N109 PolarHBondContact O-ND2 3.3Å; I106-N109 PolarHBondContact O-N 3.24Å |
| 110 | D | 89.1 | Confident | 83.1 | Confident | 73 Ų | 73 | 91.7 Ų | 91.7 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | trans | -136.8 | 88.1 | -177.7 | -166.4 | -23 | 0 | 0 | 0 | 111.9 | I106 A112 E113 Y114 | I106-D110 CarbonylContact O-C 3.19Å; I106-D110 WeakPolarHBondContact O-CA 3.35Å; I106-D110 PolarHBondContact O-N 3.01Å; I106-D110 VanDerWaalsContact O-O 3.06Å; D110-A112 PolarHBondContact O-N 2.98Å; D110-A112 VanDerWaalsContact O-N 3.17Å; D110-A112 WeakPolarHBondContact OD1-CA 3.26Å; D110-A112 WeakPolarHBondContact OD1-CB 3.45Å; D110-A112 PolarHBondContact OD1-N 3.45Å; D110-E113 HydrophobicContact CB-CB 4.08Å; D110-E113 PolarHBondContact O-N 3.07Å; D110-E113 PolarHBondContact OD1-N 3.21Å; D110-Y114 PolarHBondContact O-N 3.17Å | ||
| 111 | K | 84.6 | Confident | 82.8 | Confident | 171 Ų | 171 | 92.1 Ų | 92.1 | 74% | 0.743 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -59.6 | -26.6 | 176.8 | -67.2 | -170.6 | 177.4 | -170.4 | 0 | 113.6 | K115 | K111-K115 WeakPolarHBondContact O-CB 3.44Å; K111-K115 PolarHBondContact O-N 3.34Å; K111-K115 VanDerWaalsContact O-N 3.12Å |
| 112 | A | 84.6 | Confident | 82.1 | Confident | 75 Ų | 75 | 89.6 Ų | 89.6 | 62% | 0.62 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -75.8 | -42 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D110 K115 K116 | D110-A112 PolarHBondContact O-N 2.98Å; D110-A112 VanDerWaalsContact O-N 3.17Å; D110-A112 WeakPolarHBondContact OD1-CA 3.26Å; D110-A112 WeakPolarHBondContact OD1-CB 3.45Å; D110-A112 PolarHBondContact OD1-N 3.45Å; A112-K115 PolarHBondContact O-N 3.36Å; A112-K116 PolarHBondContact O-N 3.48Å; A112-K116 VanDerWaalsContact O-N 3.12Å |
| 113 | E | 83.1 | Confident | 81 | Confident | 96 Ų | 96 | 88.9 Ų | 88.9 | 45% | 0.449 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 174.1 | -166.1 | -179.1 | -163.7 | 0 | 0 | 111.7 | I106 D110 K115 K116 L117 | I106-E113 HydrophobicContact CG2-CB 3.88Å; I106-E113 HydrophobicContact CG2-CG 4.1Å; D110-E113 HydrophobicContact CB-CB 4.08Å; D110-E113 PolarHBondContact O-N 3.07Å; D110-E113 PolarHBondContact OD1-N 3.21Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.34Å; E113-K116 WeakPolarHBondContact O-CA 3.4Å; E113-K116 WeakPolarHBondContact O-CB 3.48Å; E113-K116 PolarHBondContact O-N 2.94Å; E113-L117 HydrophobicContact CG-CD1 4.28Å; E113-L117 PolarHBondContact O-N 2.64Å |
| 114 | Y | 82.9 | Confident | 80.1 | Confident | 63 Ų | 63 | 94.7 Ų | 94.7 | 25% | 0.247 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -55.5 | -47.7 | 173.4 | -179 | -94.1 | 0 | 0 | 0 | 111.3 | I103 E107 D110 K116 L117 E118 | I103-Y114 HydrophobicContact CG2-CD2 4.3Å; I103-Y114 HydrophobicContact CG2-CE2 3.81Å; E107-Y114 HydrophobicContact CB-CD2 3.53Å; E107-Y114 HydrophobicContact CB-CE2 3.7Å; E107-Y114 HydrophobicContact CB-CG 4.14Å; E107-Y114 HydrophobicContact CG-CD1 4.42Å; E107-Y114 HydrophobicContact CG-CD2 3.87Å; E107-Y114 HydrophobicContact CG-CE1 4.36Å; E107-Y114 HydrophobicContact CG-CE2 3.76Å; E107-Y114 HydrophobicContact CG-CG 4.18Å; D110-Y114 PolarHBondContact O-N 3.17Å; Y114-K116 VanDerWaalsContact C-N 3.25Å; Y114-K116 PolarHBondContact O-N 3.37Å; Y114-L117 CarbonylContact O-C 3.58Å; Y114-L117 WeakPolarHBondContact O-CB 3.47Å; Y114-L117 PolarHBondContact O-N 3.18Å; Y114-L117 VanDerWaalsContact O-N 3.15Å; Y114-E118 HydrophobicContact CE1-CB 4.45Å; Y114-E118 WeakPolarHBondContact O-CB 3.44Å; Y114-E118 PolarHBondContact O-N 3.36Å |
| 115 | K | 80.7 | Confident | 79 | Confident | 128 Ų | 128 | 92.4 Ų | 92.4 | 56% | 0.557 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.8 | -30.7 | 178.3 | -169.3 | 170.9 | -174.3 | 173.4 | 0 | 112.7 | K111 A112 E113 N119 | K111-K115 WeakPolarHBondContact O-CB 3.44Å; K111-K115 PolarHBondContact O-N 3.34Å; K111-K115 VanDerWaalsContact O-N 3.12Å; A112-K115 PolarHBondContact O-N 3.36Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.34Å; K115-N119 WeakPolarHBondContact O-CB 3.28Å; K115-N119 PolarHBondContact O-N 2.99Å; K115-N119 PolarHBondContact O-ND2 3.04Å |
| 116 | K | 84.3 | Confident | 77.4 | Confident | 143 Ų | 143 | 95.9 Ų | 95.9 | 62% | 0.622 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.3 | -45 | 173.5 | -173 | -177 | 178 | -174 | 0 | 110.9 | A112 E113 Y114 N119 I120 | A112-K116 PolarHBondContact O-N 3.48Å; A112-K116 VanDerWaalsContact O-N 3.12Å; E113-K116 WeakPolarHBondContact O-CA 3.4Å; E113-K116 WeakPolarHBondContact O-CB 3.48Å; E113-K116 PolarHBondContact O-N 2.94Å; Y114-K116 VanDerWaalsContact C-N 3.25Å; Y114-K116 PolarHBondContact O-N 3.37Å; K116-N119 PolarHBondContact O-N 3.46Å; K116-I120 HydrophobicContact CG-CD1 4.12Å; K116-I120 WeakPolarHBondContact O-CD1 3.37Å; K116-I120 VanDerWaalsContact O-CG1 3.23Å; K116-I120 WeakPolarHBondContact O-CG1 3.41Å; K116-I120 PolarHBondContact O-N 3.33Å |
| 117 | L | 80.9 | Confident | 75.7 | Confident | 46 Ų | 46 | 98.7 Ų | 98.7 | 24% | 0.241 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 173.8 | -92.8 | 147.7 | 0 | 0 | 0 | 111.3 | I106 E113 Y114 N119 I120 F121 | I106-L117 HydrophobicContact CD1-CD1 3.61Å; I106-L117 HydrophobicContact CG2-CD1 4.21Å; E113-L117 HydrophobicContact CG-CD1 4.28Å; E113-L117 PolarHBondContact O-N 2.64Å; Y114-L117 CarbonylContact O-C 3.58Å; Y114-L117 WeakPolarHBondContact O-CB 3.47Å; Y114-L117 PolarHBondContact O-N 3.18Å; Y114-L117 VanDerWaalsContact O-N 3.15Å; L117-N119 PolarHBondContact O-N 2.95Å; L117-I120 CarbonylContact O-C 3.55Å; L117-I120 PolarHBondContact O-N 3.1Å; L117-I120 VanDerWaalsContact O-N 3.13Å; L117-F121 HydrophobicContact CB-CD2 4.41Å; L117-F121 HydrophobicContact CD2-CD2 4.05Å; L117-F121 HydrophobicContact CD2-CE2 3.57Å; L117-F121 WeakPolarHBondContact O-CB 3.41Å; L117-F121 VanDerWaalsContact O-CD2 3.25Å; L117-F121 WeakPolarHBondContact O-CD2 3.41Å; L117-F121 PolarHBondContact O-N 2.79Å |
| 118 | E | 79.3 | Confident | 73.8 | Confident | 77 Ų | 77 | 98 Ų | 98 | 36% | 0.36 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.7 | -50 | 174.4 | -174.8 | -178.8 | -149.6 | 0 | 0 | 110.4 | Y114 I120 F121 E122 | Y114-E118 HydrophobicContact CE1-CB 4.45Å; Y114-E118 WeakPolarHBondContact O-CB 3.44Å; Y114-E118 PolarHBondContact O-N 3.36Å; E118-I120 VanDerWaalsContact C-N 3.29Å; E118-I120 PolarHBondContact O-N 3.26Å; E118-F121 CarbonylContact O-C 3.34Å; E118-F121 PolarHBondContact O-N 3Å; E118-E122 HydrophobicContact CG-CG 4.2Å; E118-E122 VanDerWaalsContact O-CB 3.27Å; E118-E122 WeakPolarHBondContact O-CB 3.38Å; E118-E122 WeakPolarHBondContact O-CG 3.37Å; E118-E122 PolarHBondContact O-N 3.07Å |
| 119 | N | 78.3 | Confident | 72.1 | Confident | 95 Ų | 95 | 96 Ų | 96 | 51% | 0.508 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.8 | -36 | 175.8 | -75.7 | -37.5 | 0 | 0 | 0 | 113.2 | K115 K116 L117 G123 | K115-N119 WeakPolarHBondContact O-CB 3.28Å; K115-N119 PolarHBondContact O-N 2.99Å; K115-N119 PolarHBondContact O-ND2 3.04Å; K116-N119 PolarHBondContact O-N 3.46Å; L117-N119 PolarHBondContact O-N 2.95Å; N119-G123 WeakPolarHBondContact O-CA 3.4Å; N119-G123 PolarHBondContact O-N 2.71Å |
| 120 | I | 80.7 | Confident | 70.2 | Confident | 76 Ų | 76 | 96 Ų | 96 | 39% | 0.39 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.4 | -43.4 | 175.9 | -69.4 | 164.5 | 0 | 0 | 0 | 110.5 | K116 L117 E118 G123 R124 | K116-I120 HydrophobicContact CG-CD1 4.12Å; K116-I120 WeakPolarHBondContact O-CD1 3.37Å; K116-I120 VanDerWaalsContact O-CG1 3.23Å; K116-I120 WeakPolarHBondContact O-CG1 3.41Å; K116-I120 PolarHBondContact O-N 3.33Å; L117-I120 CarbonylContact O-C 3.55Å; L117-I120 PolarHBondContact O-N 3.1Å; L117-I120 VanDerWaalsContact O-N 3.13Å; E118-I120 VanDerWaalsContact C-N 3.29Å; E118-I120 PolarHBondContact O-N 3.26Å; I120-G123 PolarHBondContact O-N 3.21Å; I120-R124 WeakPolarHBondContact O-CB 3.43Å; I120-R124 WeakPolarHBondContact O-CG 3.45Å; I120-R124 PolarHBondContact O-N 3.01Å |
| 121 | F | 75.3 | Confident | 68.3 | Low | 93 Ų | 93 | 97.1 Ų | 97.1 | 41% | 0.408 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.7 | -48.3 | 179.3 | -86.9 | -66.5 | 0 | 0 | 0 | 111.1 | I103 L117 E118 G123 R124 V125 | I103-F121 HydrophobicContact CD1-CE2 4.25Å; L117-F121 HydrophobicContact CB-CD2 4.41Å; L117-F121 HydrophobicContact CD2-CD2 4.05Å; L117-F121 HydrophobicContact CD2-CE2 3.57Å; L117-F121 WeakPolarHBondContact O-CB 3.41Å; L117-F121 VanDerWaalsContact O-CD2 3.25Å; L117-F121 WeakPolarHBondContact O-CD2 3.41Å; L117-F121 PolarHBondContact O-N 2.79Å; E118-F121 CarbonylContact O-C 3.34Å; E118-F121 PolarHBondContact O-N 3Å; F121-G123 PolarHBondContact O-N 3.41Å; F121-R124 CarbonylContact O-C 3.57Å; F121-R124 PolarHBondContact O-N 2.88Å; F121-R124 VanDerWaalsContact O-N 3.13Å; F121-V125 WeakPolarHBondContact O-CA 3.42Å; F121-V125 WeakPolarHBondContact O-CB 3.12Å; F121-V125 WeakPolarHBondContact O-CG2 3.33Å; F121-V125 PolarHBondContact O-N 3.43Å |
| 122 | E | 67 | Low | 66.6 | Low | 92 Ų | 92 | 90.5 Ų | 90.5 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.4 | -42.6 | 170.7 | -73.7 | -162.4 | 153.8 | 0 | 0 | 110.9 | E118 R126 | E118-E122 HydrophobicContact CG-CG 4.2Å; E118-E122 VanDerWaalsContact O-CB 3.27Å; E118-E122 WeakPolarHBondContact O-CB 3.38Å; E118-E122 WeakPolarHBondContact O-CG 3.37Å; E118-E122 PolarHBondContact O-N 3.07Å; E122-R126 WeakPolarHBondContact O-CB 3.21Å; E122-R126 WeakPolarHBondContact O-CG 3.43Å; E122-R126 PolarHBondContact O-N 3.4Å |
| 123 | G | 59.7 | Low | 65.2 | Low | 36 Ų | 36 | 89.4 Ų | 89.4 | 37% | 0.371 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.4 | -50 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N119 I120 F121 T127 | N119-G123 WeakPolarHBondContact O-CA 3.4Å; N119-G123 PolarHBondContact O-N 2.71Å; I120-G123 PolarHBondContact O-N 3.21Å; F121-G123 PolarHBondContact O-N 3.41Å; G123-T127 WeakPolarHBondContact O-CG2 3.21Å; G123-T127 PolarHBondContact O-N 3.36Å; G123-T127 VanDerWaalsContact O-N 3.09Å; G123-T127 PolarHBondContact O-OG1 3.11Å |
| 124 | R | 62.8 | Low | 64.1 | Low | 171 Ų | 171 | 85 Ų | 85 | 65% | 0.645 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.7 | -41.9 | -179.7 | -76.7 | -174.5 | -175.6 | -167.3 | 3.4 | 113.3 | I120 F121 T127 A128 | I120-R124 WeakPolarHBondContact O-CB 3.43Å; I120-R124 WeakPolarHBondContact O-CG 3.45Å; I120-R124 PolarHBondContact O-N 3.01Å; F121-R124 CarbonylContact O-C 3.57Å; F121-R124 PolarHBondContact O-N 2.88Å; F121-R124 VanDerWaalsContact O-N 3.13Å; R124-T127 VanDerWaalsContact C-OG1 3.27Å; R124-T127 VanDerWaalsContact CA-OG1 3.23Å; R124-T127 WeakPolarHBondContact CA-OG1 3.15Å; R124-T127 CarbonylContact O-C 3.55Å; R124-T127 WeakPolarHBondContact O-CA 3.49Å; R124-T127 PolarHBondContact O-N 2.97Å; R124-T127 VanDerWaalsContact O-N 3.11Å; R124-T127 PolarHBondContact O-OG1 3.32Å; R124-A128 VanDerWaalsContact O-CB 3.26Å; R124-A128 WeakPolarHBondContact O-CB 3.43Å; R124-A128 PolarHBondContact O-N 2.87Å |
| 125 | V | 59.8 | Low | 63.3 | Low | 73 Ų | 73 | 83.4 Ų | 83.4 | 44% | 0.442 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 177.3 | 171.2 | 0 | 0 | 0 | 0 | 109.1 | F121 T127 A128 Q129 | F121-V125 WeakPolarHBondContact O-CA 3.42Å; F121-V125 WeakPolarHBondContact O-CB 3.12Å; F121-V125 WeakPolarHBondContact O-CG2 3.33Å; F121-V125 PolarHBondContact O-N 3.43Å; V125-T127 PolarHBondContact O-N 2.71Å; V125-A128 PolarHBondContact O-N 3.43Å; V125-Q129 WeakPolarHBondContact O-CG 3.16Å; V125-Q129 PolarHBondContact O-N 3.44Å |
| 126 | R | 52.6 | Low | 63.3 | Low | 183 Ų | 183 | 78.7 Ų | 78.7 | 69% | 0.691 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -61.5 | -29.2 | 172.4 | -76.3 | -178.7 | 176.6 | -155.4 | 2.1 | 112.8 | E122 K131 | E122-R126 WeakPolarHBondContact O-CB 3.21Å; E122-R126 WeakPolarHBondContact O-CG 3.43Å; E122-R126 PolarHBondContact O-N 3.4Å; R126-K131 VanDerWaalsContact O-CE 3.23Å; R126-K131 WeakPolarHBondContact O-CE 3.38Å |
| 127 | T | 48.4 | Very low | 63.3 | Low | 89 Ų | 89 | 74.4 Ų | 74.4 | 55% | 0.546 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -79 | -28.8 | 172.1 | 54 | 0 | 0 | 0 | 0 | 113.8 | G123 R124 V125 | G123-T127 WeakPolarHBondContact O-CG2 3.21Å; G123-T127 PolarHBondContact O-N 3.36Å; G123-T127 VanDerWaalsContact O-N 3.09Å; G123-T127 PolarHBondContact O-OG1 3.11Å; R124-T127 VanDerWaalsContact C-OG1 3.27Å; R124-T127 VanDerWaalsContact CA-OG1 3.23Å; R124-T127 WeakPolarHBondContact CA-OG1 3.15Å; R124-T127 CarbonylContact O-C 3.55Å; R124-T127 WeakPolarHBondContact O-CA 3.49Å; R124-T127 PolarHBondContact O-N 2.97Å; R124-T127 VanDerWaalsContact O-N 3.11Å; R124-T127 PolarHBondContact O-OG1 3.32Å; V125-T127 PolarHBondContact O-N 2.71Å |
| 128 | A | 43.9 | Very low | 63.6 | Low | 78 Ų | 78 | 72.3 Ų | 72.3 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -89.8 | -18.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | R124 V125 | R124-A128 VanDerWaalsContact O-CB 3.26Å; R124-A128 WeakPolarHBondContact O-CB 3.43Å; R124-A128 PolarHBondContact O-N 2.87Å; V125-A128 PolarHBondContact O-N 3.43Å |
| 129 | Q | 48.6 | Very low | 63.9 | Low | 85 Ų | 85 | 68.8 Ų | 68.8 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -53.7 | 135.8 | 169.3 | -72.6 | -60.1 | -37.8 | 0 | 0 | 108.5 | V125 K131 | V125-Q129 WeakPolarHBondContact O-CG 3.16Å; V125-Q129 PolarHBondContact O-N 3.44Å; Q129-K131 PolarHBondContact O-N 2.8Å |
| 130 | P | 46.9 | Very low | 64.4 | Low | 72 Ų | 72 | 65.8 Ų | 65.8 | 47% | 0.468 | 35% | 0.347 | S | S | . | . | trans | -60.9 | 95.1 | 171.4 | 24.7 | -30.4 | 0 | 0 | 0 | 106.4 | C132 | P130-C132 VanDerWaalsContact C-N 3.28Å; P130-C132 PolarHBondContact O-N 2.95Å | ||
| 131 | K | 49.2 | Very low | 65 | Low | 97 Ų | 97 | 62.1 Ų | 62.1 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | trans | -64.6 | 100.3 | 176.9 | -72 | 172.8 | -175.2 | 170.9 | 0 | 104.2 | R126 Q129 H133 | R126-K131 VanDerWaalsContact O-CE 3.23Å; R126-K131 WeakPolarHBondContact O-CE 3.38Å; Q129-K131 PolarHBondContact O-N 2.8Å; K131-H133 PolarHBondContact O-CD2 3.14Å; K131-H133 PolarHBondContact O-N 3.37Å | ||
| 132 | C | 49.8 | Very low | 65.8 | Low | 32 Ų | 32 | 57.8 Ų | 57.8 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | trans | -61.2 | 91.2 | 154.1 | -173.5 | 0 | 0 | 0 | 0 | 104.1 | P130 T134 L310 | P130-C132 VanDerWaalsContact C-N 3.28Å; P130-C132 PolarHBondContact O-N 2.95Å; C132-T134 PolarHBondContact O-N 3.21Å; C132-L310 HydrophobicContact CB-CD1 4.29Å | ||
| 133 | H | 55.8 | Low | 67.1 | Low | 53 Ų | 53 | 53.4 Ų | 53.4 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | trans | -66.3 | 2.3 | -175.6 | -76.9 | -76.2 | 0 | 0 | 0 | 111.8 | K131 E189 M243 | K131-H133 PolarHBondContact O-CD2 3.14Å; K131-H133 PolarHBondContact O-N 3.37Å; H133-E189 WeakPolarHBondContact O-CB 3.49Å; H133-E189 WeakPolarHBondContact O-CG 3.28Å; H133-E189 VanDerWaalsContact O-OE2 3.04Å; H133-M243 HydrophobicContact CB-SD 4.47Å | ||
| 134 | T | 58.8 | Low | 68.7 | Low | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -111.9 | 115.7 | -179.9 | -47.4 | 0 | 0 | 0 | 0 | 108.3 | C132 A136 S138 L139 | C132-T134 PolarHBondContact O-N 3.21Å; T134-A136 PolarHBondContact O-N 2.89Å; T134-S138 VanDerWaalsContact CG2-OG 3.22Å; T134-S138 WeakPolarHBondContact CG2-OG 3.39Å; T134-L139 HydrophobicContact CG2-CD1 4.4Å; T134-L139 HydrophobicContact CG2-CD2 3.69Å; T134-L139 HydrophobicContact CG2-CG 3.61Å |
| 135 | T | 67.5 | Low | 70.2 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | trans | -49.3 | 133.4 | 176.4 | -64.9 | 0 | 0 | 0 | 0 | 108.7 | V137 S138 L139 E189 | T135-V137 HydrophobicContact CG2-CB 3.87Å; T135-V137 HydrophobicContact CG2-CG2 4.03Å; T135-V137 PolarHBondContact O-N 3.19Å; T135-S138 WeakPolarHBondContact O-CA 3.44Å; T135-S138 VanDerWaalsContact O-CB 3.32Å; T135-S138 WeakPolarHBondContact O-CB 3.32Å; T135-S138 PolarHBondContact O-N 3.43Å; T135-L139 PolarHBondContact O-N 3.19Å; T135-E189 WeakPolarHBondContact CA-OE1 3.46Å; T135-E189 VanDerWaalsContact CB-OE1 3.23Å; T135-E189 WeakPolarHBondContact CB-OE1 3.32Å; T135-E189 PolarHBondContact N-OE1 2.89Å; T135-E189 PolarHBondContact OG1-OE1 3.24Å | ||
| 136 | A | 78.8 | Confident | 71.9 | Confident | 28 Ų | 28 | 43.4 Ų | 43.4 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -45.5 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T134 S138 L139 V140 L294 A297 | T134-A136 PolarHBondContact O-N 2.89Å; A136-S138 PolarHBondContact O-N 2.98Å; A136-L139 PolarHBondContact O-N 2.9Å; A136-V140 WeakPolarHBondContact O-CG1 3.32Å; A136-V140 PolarHBondContact O-N 3.08Å; A136-L294 HydrophobicContact CB-CD1 3.78Å; A136-A297 HydrophobicContact CB-CB 4.11Å |
| 137 | V | 84.5 | Confident | 73.9 | Confident | 54 Ų | 54 | 36.3 Ų | 36.3 | 33% | 0.327 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.4 | -39.9 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 113.2 | T135 V140 A141 L173 A177 | T135-V137 HydrophobicContact CG2-CB 3.87Å; T135-V137 HydrophobicContact CG2-CG2 4.03Å; T135-V137 PolarHBondContact O-N 3.19Å; V137-V140 VanDerWaalsContact O-CG1 3.23Å; V137-V140 WeakPolarHBondContact O-CG1 3.47Å; V137-A141 WeakPolarHBondContact O-CB 3.41Å; V137-A141 PolarHBondContact O-N 2.89Å; V137-L173 HydrophobicContact CG1-CB 4.39Å; V137-L173 HydrophobicContact CG1-CG 4.48Å; V137-A177 HydrophobicContact CB-CB 4.34Å; V137-A177 HydrophobicContact CG1-CB 4.29Å |
| 138 | S | 87.6 | Confident | 76.1 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68 | -45.3 | 176.4 | 161.2 | 0 | 0 | 0 | 0 | 111.2 | T134 T135 A136 V140 A141 H142 Q174 | T134-S138 VanDerWaalsContact CG2-OG 3.22Å; T134-S138 WeakPolarHBondContact CG2-OG 3.39Å; T135-S138 WeakPolarHBondContact O-CA 3.44Å; T135-S138 VanDerWaalsContact O-CB 3.32Å; T135-S138 WeakPolarHBondContact O-CB 3.32Å; T135-S138 PolarHBondContact O-N 3.43Å; A136-S138 PolarHBondContact O-N 2.98Å; S138-V140 PolarHBondContact O-N 2.95Å; S138-A141 PolarHBondContact O-N 3.49Å; S138-H142 WeakPolarHBondContact O-CB 2.98Å; S138-H142 PolarHBondContact O-N 3.45Å; S138-Q174 PolarHBondContact O-OE1 2.93Å; S138-Q174 PolarHBondContact OG-NE2 3.15Å |
| 139 | L | 85.6 | Confident | 78.4 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | -179.9 | -69.9 | 169.8 | 0 | 0 | 0 | 112.1 | T134 T135 A136 G143 S290 M293 | T134-L139 HydrophobicContact CG2-CD1 4.4Å; T134-L139 HydrophobicContact CG2-CD2 3.69Å; T134-L139 HydrophobicContact CG2-CG 3.61Å; T135-L139 PolarHBondContact O-N 3.19Å; A136-L139 PolarHBondContact O-N 2.9Å; L139-G143 PolarHBondContact O-N 3.41Å; L139-S290 PolarHBondContact O-OG 3.38Å; L139-M293 HydrophobicContact CD1-CB 3.58Å; L139-M293 HydrophobicContact CD2-CB 4.36Å; L139-M293 HydrophobicContact CD2-CE 3.75Å; L139-M293 HydrophobicContact CD2-SD 4.33Å |
| 140 | V | 89.6 | Confident | 80.6 | Confident | 31 Ų | 31 | 27.1 Ų | 27.1 | 19% | 0.188 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.2 | -42.3 | 176.6 | 70.8 | 0 | 0 | 0 | 0 | 111.7 | A136 V137 S138 H142 G143 I144 L291 L294 | A136-V140 WeakPolarHBondContact O-CG1 3.32Å; A136-V140 PolarHBondContact O-N 3.08Å; V137-V140 VanDerWaalsContact O-CG1 3.23Å; V137-V140 WeakPolarHBondContact O-CG1 3.47Å; S138-V140 PolarHBondContact O-N 2.95Å; V140-H142 PolarHBondContact O-N 3.22Å; V140-G143 PolarHBondContact O-N 3.28Å; V140-I144 HydrophobicContact CG2-CD1 3.58Å; V140-I144 HydrophobicContact CG2-CG1 4.09Å; V140-I144 WeakPolarHBondContact O-CB 3.45Å; V140-I144 VanDerWaalsContact O-CG1 3.27Å; V140-I144 WeakPolarHBondContact O-CG1 3.35Å; V140-I144 PolarHBondContact O-N 2.72Å; V140-L291 HydrophobicContact CG2-CD2 4.49Å; V140-L294 HydrophobicContact CB-CD1 4.12Å; V140-L294 HydrophobicContact CB-CD2 3.58Å; V140-L294 HydrophobicContact CB-CG 4.38Å; V140-L294 HydrophobicContact CG2-CD2 3.55Å |
| 141 | A | 92.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.9 | -52.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V137 S138 A145 C169 L173 | V137-A141 WeakPolarHBondContact O-CB 3.41Å; V137-A141 PolarHBondContact O-N 2.89Å; S138-A141 PolarHBondContact O-N 3.49Å; A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 3.08Å; A141-A145 VanDerWaalsContact O-N 3.14Å; A141-C169 WeakPolarHBondContact CB-O 3.41Å; A141-L173 HydrophobicContact CB-CB 3.83Å; A141-L173 HydrophobicContact CB-CD2 4.42Å |
| 142 | H | 93.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.3 | -43.4 | -180 | -168 | 81 | 0 | 0 | 0 | 112.2 | S138 V140 A145 L146 F196 W200 F250 | S138-H142 WeakPolarHBondContact O-CB 2.98Å; S138-H142 PolarHBondContact O-N 3.45Å; V140-H142 PolarHBondContact O-N 3.22Å; H142-A145 PolarHBondContact O-N 3.4Å; H142-L146 WeakPolarHBondContact O-CG 3.25Å; H142-L146 PolarHBondContact O-N 3.45Å; H142-F196 AromaticContact CE1-CD1 3.81Å; H142-F196 AromaticContact ND1-CD1 3.94Å; H142-F196 AromaticContact ND1-CG 3.68Å; H142-W200 AromaticContact CE1-NE1 3.61Å; H142-W200 AromaticContact ND1-NE1 3.19Å; H142-W200 PolarHBondContact ND1-NE1 2.87Å; H142-W200 VanDerWaalsContact ND1-NE1 3.19Å; H142-F250 AromaticContact CD2-CE2 3.96Å; H142-F250 AromaticContact CD2-CZ 3.63Å; H142-F250 AromaticContact NE2-CZ 3.81Å |
| 143 | G | 93.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L139 V140 A145 L146 T147 S287 | L139-G143 PolarHBondContact O-N 3.41Å; V140-G143 PolarHBondContact O-N 3.28Å; G143-A145 VanDerWaalsContact C-N 3.34Å; G143-A145 PolarHBondContact O-N 3.08Å; G143-L146 PolarHBondContact O-N 3.25Å; G143-T147 PolarHBondContact O-N 2.83Å; G143-T147 PolarHBondContact O-OG1 3.27Å; G143-S287 PolarHBondContact O-OG 3.22Å |
| 144 | I | 94.1 | Very high | 88.2 | Confident | 63 Ų | 63 | 24.5 Ų | 24.5 | 32% | 0.323 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 177.1 | -68.1 | 176.4 | 0 | 0 | 0 | 110.9 | V140 L146 T147 C148 V165 C169 | V140-I144 HydrophobicContact CG2-CD1 3.58Å; V140-I144 HydrophobicContact CG2-CG1 4.09Å; V140-I144 WeakPolarHBondContact O-CB 3.45Å; V140-I144 VanDerWaalsContact O-CG1 3.27Å; V140-I144 WeakPolarHBondContact O-CG1 3.35Å; V140-I144 PolarHBondContact O-N 2.72Å; I144-L146 PolarHBondContact O-N 3.2Å; I144-T147 PolarHBondContact O-N 3.32Å; I144-C148 WeakPolarHBondContact O-CB 3.35Å; I144-C148 PolarHBondContact O-N 3.43Å; I144-V165 HydrophobicContact CG2-CG1 3.76Å; I144-C169 HydrophobicContact CG2-CB 4.47Å |
| 145 | A | 94.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A141 H142 G143 Q149 W200 | A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 3.08Å; A141-A145 VanDerWaalsContact O-N 3.14Å; H142-A145 PolarHBondContact O-N 3.4Å; G143-A145 VanDerWaalsContact C-N 3.34Å; G143-A145 PolarHBondContact O-N 3.08Å; A145-Q149 VanDerWaalsContact O-CB 3.32Å; A145-Q149 WeakPolarHBondContact O-CB 3.32Å; A145-Q149 PolarHBondContact O-N 2.79Å; A145-W200 HydrophobicContact CB-CD2 3.9Å; A145-W200 VanDerWaalsContact CB-CE2 3.45Å; A145-W200 HydrophobicContact CB-CE3 4.36Å; A145-W200 HydrophobicContact CB-CG 4.42Å; A145-W200 HydrophobicContact CB-CH2 4.06Å; A145-W200 HydrophobicContact CB-CZ2 3.55Å; A145-W200 HydrophobicContact CB-CZ3 4.44Å |
| 146 | L | 95.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -49 | 174.1 | -76.6 | 176.2 | 0 | 0 | 0 | 111.9 | H142 G143 I144 C148 Q149 Q150 W200 F250 M254 F283 A286 | H142-L146 WeakPolarHBondContact O-CG 3.25Å; H142-L146 PolarHBondContact O-N 3.45Å; G143-L146 PolarHBondContact O-N 3.25Å; I144-L146 PolarHBondContact O-N 3.2Å; L146-C148 PolarHBondContact O-N 2.92Å; L146-Q149 PolarHBondContact O-N 3.36Å; L146-Q150 VanDerWaalsContact O-CG 3.26Å; L146-Q150 WeakPolarHBondContact O-CG 3.3Å; L146-Q150 PolarHBondContact O-N 3.26Å; L146-Q150 PolarHBondContact O-NE2 3.42Å; L146-W200 HydrophobicContact CD2-CH2 4.02Å; L146-W200 HydrophobicContact CD2-CZ2 3.77Å; L146-W200 HydrophobicContact CG-CH2 4.49Å; L146-W200 HydrophobicContact CG-CZ2 3.94Å; L146-F250 HydrophobicContact CD1-CE2 4.46Å; L146-M254 HydrophobicContact CD1-CE 4.49Å; L146-M254 HydrophobicContact CD1-SD 3.67Å; L146-M254 HydrophobicContact CD2-CE 4.07Å; L146-M254 HydrophobicContact CD2-SD 3.98Å; L146-M254 HydrophobicContact CG-SD 4.48Å; L146-F283 HydrophobicContact CD2-CB 4.44Å; L146-F283 HydrophobicContact CD2-CD1 4.37Å; L146-A286 HydrophobicContact CD1-CB 4.25Å |
| 147 | T | 94.7 | Very high | 91.3 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58 | -50.4 | 179.7 | -64.2 | 0 | 0 | 0 | 0 | 111 | G143 I144 Q149 Q150 L151 S287 | G143-T147 PolarHBondContact O-N 2.83Å; G143-T147 PolarHBondContact O-OG1 3.27Å; I144-T147 PolarHBondContact O-N 3.32Å; T147-Q149 VanDerWaalsContact C-N 3.29Å; T147-Q149 PolarHBondContact O-N 2.93Å; T147-Q150 PolarHBondContact O-N 3.03Å; T147-L151 HydrophobicContact CG2-CD1 3.98Å; T147-L151 HydrophobicContact CG2-CG 4.33Å; T147-L151 VanDerWaalsContact O-CG 3.27Å; T147-L151 WeakPolarHBondContact O-CG 3.42Å; T147-L151 PolarHBondContact O-N 2.97Å; T147-S287 PolarHBondContact OG1-OG 3.27Å |
| 148 | C | 93.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -36.6 | 179 | -74.4 | 0 | 0 | 0 | 0 | 112.4 | I144 L146 L151 Y152 V165 | I144-C148 WeakPolarHBondContact O-CB 3.35Å; I144-C148 PolarHBondContact O-N 3.43Å; L146-C148 PolarHBondContact O-N 2.92Å; C148-L151 PolarHBondContact O-N 3.18Å; C148-Y152 PolarHBondContact O-N 2.58Å; C148-Y152 VanDerWaalsContact O-N 3.08Å; C148-V165 HydrophobicContact CB-CB 4.24Å; C148-V165 HydrophobicContact CB-CG1 3.94Å |
| 149 | Q | 93.2 | Very high | 91.5 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 174.5 | -176.8 | 61.3 | 15 | 0 | 0 | 111.8 | A145 L146 T147 Y152 S153 T162 W200 F203 | A145-Q149 VanDerWaalsContact O-CB 3.32Å; A145-Q149 WeakPolarHBondContact O-CB 3.32Å; A145-Q149 PolarHBondContact O-N 2.79Å; L146-Q149 PolarHBondContact O-N 3.36Å; T147-Q149 VanDerWaalsContact C-N 3.29Å; T147-Q149 PolarHBondContact O-N 2.93Å; Q149-Y152 WeakPolarHBondContact O-CB 3.26Å; Q149-Y152 PolarHBondContact O-N 3.25Å; Q149-S153 PolarHBondContact O-N 2.86Å; Q149-S153 PolarHBondContact O-OG 3.24Å; Q149-T162 HydrophobicContact CB-CG2 4.45Å; Q149-W200 HydrophobicContact CB-CH2 3.98Å; Q149-W200 HydrophobicContact CB-CZ3 4.15Å; Q149-W200 HydrophobicContact CG-CH2 4.37Å; Q149-W200 HydrophobicContact CG-CZ3 4.33Å; Q149-F203 VanDerWaalsContact NE2-CZ 3.3Å |
| 150 | Q | 94.2 | Very high | 91.7 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.4 | -37 | 178.9 | -57.7 | -26 | -58.6 | 0 | 0 | 111.9 | L146 T147 Y152 S153 F154 A280 F283 F284 | L146-Q150 VanDerWaalsContact O-CG 3.26Å; L146-Q150 WeakPolarHBondContact O-CG 3.3Å; L146-Q150 PolarHBondContact O-N 3.26Å; L146-Q150 PolarHBondContact O-NE2 3.42Å; T147-Q150 PolarHBondContact O-N 3.03Å; Q150-Y152 PolarHBondContact O-N 3.08Å; Q150-S153 WeakPolarHBondContact O-CB 3.27Å; Q150-S153 PolarHBondContact O-N 3.31Å; Q150-S153 VanDerWaalsContact O-N 3.08Å; Q150-F154 WeakPolarHBondContact O-CD2 3.33Å; Q150-F154 PolarHBondContact O-N 3.34Å; Q150-A280 VanDerWaalsContact OE1-CA 3.29Å; Q150-F283 VanDerWaalsContact CD-CB 3.44Å; Q150-F283 HydrophobicContact CG-CB 3.81Å; Q150-F284 HydrophobicContact CB-CD2 4.26Å |
| 151 | L | 93.5 | Very high | 91.8 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 23% | 0.225 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -32 | 172.9 | -68.2 | 175.2 | 0 | 0 | 0 | 112.1 | T147 C148 H155 I156 I157 | T147-L151 HydrophobicContact CG2-CD1 3.98Å; T147-L151 HydrophobicContact CG2-CG 4.33Å; T147-L151 VanDerWaalsContact O-CG 3.27Å; T147-L151 WeakPolarHBondContact O-CG 3.42Å; T147-L151 PolarHBondContact O-N 2.97Å; C148-L151 PolarHBondContact O-N 3.18Å; L151-H155 PolarHBondContact O-N 3.11Å; L151-I156 HydrophobicContact CB-CB 4.48Å; L151-I156 HydrophobicContact CD2-CD1 3.7Å; L151-I156 WeakPolarHBondContact O-CB 3.41Å; L151-I156 PolarHBondContact O-N 3.03Å; L151-I157 HydrophobicContact CB-CB 4.49Å; L151-I157 HydrophobicContact CB-CD1 3.75Å; L151-I157 HydrophobicContact CB-CG1 3.99Å; L151-I157 HydrophobicContact CD1-CD1 3.56Å; L151-I157 HydrophobicContact CD1-CG1 4.46Å; L151-I157 HydrophobicContact CG-CD1 4.3Å; L151-I157 PolarHBondContact O-N 3.23Å |
| 152 | Y | 90.9 | Very high | 91.8 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.4 | -41.7 | 170 | 168.8 | -103.1 | 0 | 0 | 0 | 112.5 | C148 Q149 Q150 F154 H155 I157 R159 T162 | C148-Y152 PolarHBondContact O-N 2.58Å; C148-Y152 VanDerWaalsContact O-N 3.08Å; Q149-Y152 WeakPolarHBondContact O-CB 3.26Å; Q149-Y152 PolarHBondContact O-N 3.25Å; Q150-Y152 PolarHBondContact O-N 3.08Å; Y152-F154 PolarHBondContact O-N 3.24Å; Y152-H155 WeakPolarHBondContact O-CA 3.13Å; Y152-H155 PolarHBondContact O-N 2.96Å; Y152-I157 WeakPolarHBondContact CD2-O 3.05Å; Y152-R159 HydrophobicContact CD2-CB 4.27Å; Y152-R159 HydrophobicContact CE2-CB 3.62Å; Y152-R159 HydrophobicContact CE2-CG 4.08Å; Y152-R159 PolarHBondContact OH-NE 2.88Å; Y152-R159 PolarHBondContact OH-NH2 3.33Å; Y152-R159 VanDerWaalsContact OH-NH2 3.16Å; Y152-T162 WeakPolarHBondContact CB-OG1 3.49Å; Y152-T162 HydrophobicContact CG-CG2 4.44Å |
| 153 | S | 88.2 | Confident | 91.8 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.3 | -36.9 | 174.6 | -51.4 | 0 | 0 | 0 | 0 | 112.1 | Q149 Q150 H155 | Q149-S153 PolarHBondContact O-N 2.86Å; Q149-S153 PolarHBondContact O-OG 3.24Å; Q150-S153 WeakPolarHBondContact O-CB 3.27Å; Q150-S153 PolarHBondContact O-N 3.31Å; Q150-S153 VanDerWaalsContact O-N 3.08Å; S153-H155 PolarHBondContact O-N 3.46Å; S153-H155 PolarHBondContact O-ND1 2.87Å; S153-H155 VanDerWaalsContact O-ND1 3.07Å |
| 154 | F | 89.2 | Confident | 91.8 | Very high | 86 Ų | 86 | 54.7 Ų | 54.7 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 7.7 | 172.6 | -68.9 | -66.5 | 0 | 0 | 0 | 114.2 | Q150 Y152 I156 Y277 A280 | Q150-F154 WeakPolarHBondContact O-CD2 3.33Å; Q150-F154 PolarHBondContact O-N 3.34Å; Y152-F154 PolarHBondContact O-N 3.24Å; F154-I156 HydrophobicContact CB-CD1 3.87Å; F154-I156 HydrophobicContact CB-CG1 3.98Å; F154-I156 PolarHBondContact O-N 2.92Å; F154-I156 VanDerWaalsContact O-N 3.14Å; F154-Y277 AromaticContact CD1-CD1 3.85Å; F154-Y277 HydrophobicContact CD1-CD1 3.85Å; F154-Y277 AromaticContact CD1-CE1 3.87Å; F154-Y277 HydrophobicContact CD1-CE1 3.87Å; F154-Y277 AromaticContact CE1-CD1 3.5Å; F154-Y277 HydrophobicContact CE1-CD1 3.5Å; F154-Y277 VanDerWaalsContact CE1-CD1 3.5Å; F154-Y277 HydrophobicContact CE1-CE1 4.01Å; F154-Y277 HydrophobicContact CE1-CG 4.42Å; F154-Y277 HydrophobicContact CZ-CD1 4.37Å; F154-A280 HydrophobicContact CE2-CB 4.1Å; F154-A280 HydrophobicContact CZ-CB 4.12Å |
| 155 | H | 86.7 | Confident | 91.8 | Very high | 148 Ų | 148 | 53.3 Ų | 53.3 | 69% | 0.685 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 23.4 | -179.7 | -59.2 | 74.6 | 0 | 0 | 0 | 114.4 | L151 Y152 S153 | L151-H155 PolarHBondContact O-N 3.11Å; Y152-H155 WeakPolarHBondContact O-CA 3.13Å; Y152-H155 PolarHBondContact O-N 2.96Å; S153-H155 PolarHBondContact O-N 3.46Å; S153-H155 PolarHBondContact O-ND1 2.87Å; S153-H155 VanDerWaalsContact O-ND1 3.07Å |
| 156 | I | 90.8 | Very high | 91.7 | Very high | 119 Ų | 119 | 53.4 Ų | 53.4 | 61% | 0.61 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -80 | -40.5 | 178.7 | -60.2 | 170.1 | 0 | 0 | 0 | 110.3 | L151 F154 | L151-I156 HydrophobicContact CB-CB 4.48Å; L151-I156 HydrophobicContact CD2-CD1 3.7Å; L151-I156 WeakPolarHBondContact O-CB 3.41Å; L151-I156 PolarHBondContact O-N 3.03Å; F154-I156 HydrophobicContact CB-CD1 3.87Å; F154-I156 HydrophobicContact CB-CG1 3.98Å; F154-I156 PolarHBondContact O-N 2.92Å; F154-I156 VanDerWaalsContact O-N 3.14Å |
| 157 | I | 90.9 | Very high | 91.7 | Very high | 51 Ų | 51 | 56 Ų | 56 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -113.9 | 146.2 | -179.4 | -60.1 | 179.7 | 0 | 0 | 0 | 109.5 | L151 Y152 P161 | L151-I157 HydrophobicContact CB-CB 4.49Å; L151-I157 HydrophobicContact CB-CD1 3.75Å; L151-I157 HydrophobicContact CB-CG1 3.99Å; L151-I157 HydrophobicContact CD1-CD1 3.56Å; L151-I157 HydrophobicContact CD1-CG1 4.46Å; L151-I157 HydrophobicContact CG-CD1 4.3Å; L151-I157 PolarHBondContact O-N 3.23Å; Y152-I157 WeakPolarHBondContact CD2-O 3.05Å; I157-P161 HydrophobicContact CG2-CB 3.8Å; I157-P161 HydrophobicContact CG2-CG 4.2Å |
| 158 | H | 89.8 | Confident | 91.6 | Very high | 146 Ų | 146 | 58.8 Ų | 58.8 | 68% | 0.676 | 29% | 0.293 | S | S | * | . | trans | -72.2 | 158.5 | 176.6 | -163.7 | 66.2 | 0 | 0 | 0 | 112.5 | L160 P161 T162 | H158-L160 VanDerWaalsContact C-N 3.35Å; H158-L160 PolarHBondContact O-N 2.97Å; H158-P161 HydrophobicContact CB-CG 4.5Å; H158-P161 VanDerWaalsContact O-CD 3.31Å; H158-P161 WeakPolarHBondContact O-CD 3.49Å; H158-T162 PolarHBondContact O-OG1 3.31Å | ||
| 159 | R | 87.8 | Confident | 91.5 | Very high | 80 Ų | 80 | 58.9 Ų | 58.9 | 30% | 0.302 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.5 | -42.4 | -176 | -171.5 | 179.8 | -66.4 | 176.3 | 1.8 | 113.7 | Y152 T162 I163 T207 | Y152-R159 HydrophobicContact CD2-CB 4.27Å; Y152-R159 HydrophobicContact CE2-CB 3.62Å; Y152-R159 HydrophobicContact CE2-CG 4.08Å; Y152-R159 PolarHBondContact OH-NE 2.88Å; Y152-R159 PolarHBondContact OH-NH2 3.33Å; Y152-R159 VanDerWaalsContact OH-NH2 3.16Å; R159-T162 WeakPolarHBondContact O-CB 3.33Å; R159-T162 PolarHBondContact O-N 3.46Å; R159-I163 HydrophobicContact CG-CD1 3.92Å; R159-I163 HydrophobicContact CG-CG1 4.45Å; R159-I163 WeakPolarHBondContact O-CG1 3.22Å; R159-I163 PolarHBondContact O-N 3.34Å; R159-I163 VanDerWaalsContact O-N 3.08Å; R159-T207 HydrophobicContact CG-CG2 4.22Å |
| 160 | L | 90.3 | Very high | 91.2 | Very high | 88 Ų | 88 | 57.5 Ų | 57.5 | 46% | 0.461 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -50.9 | -173.3 | -177 | 74.2 | 0 | 0 | 0 | 113.2 | H158 T162 I163 I164 L211 | H158-L160 VanDerWaalsContact C-N 3.35Å; H158-L160 PolarHBondContact O-N 2.97Å; L160-T162 PolarHBondContact O-N 3.39Å; L160-I163 PolarHBondContact O-N 3.14Å; L160-I164 HydrophobicContact CG-CD1 4.16Å; L160-I164 WeakPolarHBondContact O-CG1 3.37Å; L160-I164 PolarHBondContact O-N 3.32Å; L160-L211 HydrophobicContact CD1-CD1 4.08Å |
| 161 | P | 91.7 | Very high | 91.2 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52.1 | -40.9 | 171.7 | -27.8 | 31.2 | 0 | 0 | 0 | 113.5 | I157 H158 I164 V165 | I157-P161 HydrophobicContact CG2-CB 3.8Å; I157-P161 HydrophobicContact CG2-CG 4.2Å; H158-P161 HydrophobicContact CB-CG 4.5Å; H158-P161 VanDerWaalsContact O-CD 3.31Å; H158-P161 WeakPolarHBondContact O-CD 3.49Å; P161-I164 PolarHBondContact O-N 2.91Å; P161-V165 WeakPolarHBondContact O-CG2 3.31Å; P161-V165 PolarHBondContact O-N 3.29Å |
| 162 | T | 92.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | Q149 Y152 H158 R159 L160 I164 V165 A166 | Q149-T162 HydrophobicContact CB-CG2 4.45Å; Y152-T162 WeakPolarHBondContact CB-OG1 3.49Å; Y152-T162 HydrophobicContact CG-CG2 4.44Å; H158-T162 PolarHBondContact O-OG1 3.31Å; R159-T162 WeakPolarHBondContact O-CB 3.33Å; R159-T162 PolarHBondContact O-N 3.46Å; L160-T162 PolarHBondContact O-N 3.39Å; T162-I164 VanDerWaalsContact C-N 3.33Å; T162-I164 PolarHBondContact O-N 3.47Å; T162-V165 PolarHBondContact O-N 3.49Å; T162-A166 WeakPolarHBondContact O-CB 3.34Å; T162-A166 PolarHBondContact O-N 3.19Å |
| 163 | I | 92.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.6 | -66.4 | 167.4 | 0 | 0 | 0 | 110.9 | R159 L160 V165 A166 L167 T207 M208 L211 | R159-I163 HydrophobicContact CG-CD1 3.92Å; R159-I163 HydrophobicContact CG-CG1 4.45Å; R159-I163 WeakPolarHBondContact O-CG1 3.22Å; R159-I163 PolarHBondContact O-N 3.34Å; R159-I163 VanDerWaalsContact O-N 3.08Å; L160-I163 PolarHBondContact O-N 3.14Å; I163-V165 PolarHBondContact O-N 3.44Å; I163-A166 PolarHBondContact O-N 3.34Å; I163-L167 HydrophobicContact CG2-CD1 4.04Å; I163-L167 HydrophobicContact CG2-CG 4.48Å; I163-L167 WeakPolarHBondContact O-CG 3.29Å; I163-L167 PolarHBondContact O-N 2.9Å; I163-T207 HydrophobicContact CD1-CG2 3.97Å; I163-T207 HydrophobicContact CG1-CG2 4.15Å; I163-M208 HydrophobicContact CD1-CG 3.96Å; I163-M208 HydrophobicContact CG2-CG 3.55Å; I163-M208 HydrophobicContact CG2-SD 3.68Å; I163-L211 HydrophobicContact CD1-CD1 3.95Å |
| 164 | I | 92.9 | Very high | 91.4 | Very high | 83 Ų | 83 | 60.1 Ų | 60.1 | 43% | 0.426 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 179.8 | -67.4 | 167.3 | 0 | 0 | 0 | 110.5 | L160 P161 T162 L167 L168 | L160-I164 HydrophobicContact CG-CD1 4.16Å; L160-I164 WeakPolarHBondContact O-CG1 3.37Å; L160-I164 PolarHBondContact O-N 3.32Å; P161-I164 PolarHBondContact O-N 2.91Å; T162-I164 VanDerWaalsContact C-N 3.33Å; T162-I164 PolarHBondContact O-N 3.47Å; I164-L167 PolarHBondContact O-N 2.92Å; I164-L168 HydrophobicContact CG2-CD1 3.81Å; I164-L168 HydrophobicContact CG2-CG 4.35Å; I164-L168 WeakPolarHBondContact O-CB 3.49Å; I164-L168 WeakPolarHBondContact O-CG 3.39Å; I164-L168 PolarHBondContact O-N 2.83Å |
| 165 | V | 93.8 | Very high | 91.5 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 176.6 | 174 | 0 | 0 | 0 | 0 | 111 | I144 C148 P161 T162 I163 L167 L168 C169 G170 | I144-V165 HydrophobicContact CG2-CG1 3.76Å; C148-V165 HydrophobicContact CB-CB 4.24Å; C148-V165 HydrophobicContact CB-CG1 3.94Å; P161-V165 WeakPolarHBondContact O-CG2 3.31Å; P161-V165 PolarHBondContact O-N 3.29Å; T162-V165 PolarHBondContact O-N 3.49Å; I163-V165 PolarHBondContact O-N 3.44Å; V165-L167 VanDerWaalsContact C-N 3.31Å; V165-L167 PolarHBondContact O-N 2.94Å; V165-L168 PolarHBondContact O-N 3.17Å; V165-C169 HydrophobicContact CG1-CB 4.17Å; V165-C169 WeakPolarHBondContact O-CA 3.3Å; V165-C169 VanDerWaalsContact O-CB 3.25Å; V165-C169 WeakPolarHBondContact O-CB 3.46Å; V165-C169 PolarHBondContact O-N 3.18Å; V165-G170 PolarHBondContact O-N 2.87Å |
| 166 | A | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -61 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T162 I163 G170 V171 W200 S204 | T162-A166 WeakPolarHBondContact O-CB 3.34Å; T162-A166 PolarHBondContact O-N 3.19Å; I163-A166 PolarHBondContact O-N 3.34Å; A166-G170 CarbonylContact O-C 3.52Å; A166-G170 WeakPolarHBondContact O-CA 3.5Å; A166-G170 PolarHBondContact O-N 3.31Å; A166-V171 PolarHBondContact O-N 3.37Å; A166-V171 VanDerWaalsContact O-N 3.11Å; A166-W200 HydrophobicContact CB-CE3 3.9Å; A166-W200 HydrophobicContact CB-CZ3 4.48Å; A166-S204 VanDerWaalsContact CB-OG 3.28Å; A166-S204 WeakPolarHBondContact CB-OG 3.43Å |
| 167 | L | 94.3 | Very high | 91.5 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -71.3 | -48.2 | 175.2 | -73.5 | 173.1 | 0 | 0 | 0 | 112.7 | I163 I164 V165 V171 L172 M208 | I163-L167 HydrophobicContact CG2-CD1 4.04Å; I163-L167 HydrophobicContact CG2-CG 4.48Å; I163-L167 WeakPolarHBondContact O-CG 3.29Å; I163-L167 PolarHBondContact O-N 2.9Å; I164-L167 PolarHBondContact O-N 2.92Å; V165-L167 VanDerWaalsContact C-N 3.31Å; V165-L167 PolarHBondContact O-N 2.94Å; L167-V171 HydrophobicContact CD2-CG2 4.23Å; L167-V171 WeakPolarHBondContact O-CA 3.46Å; L167-V171 WeakPolarHBondContact O-CB 3.37Å; L167-V171 PolarHBondContact O-N 2.97Å; L167-L172 PolarHBondContact O-N 3.21Å; L167-M208 HydrophobicContact CD1-SD 3.93Å |
| 168 | L | 93.6 | Very high | 91.4 | Very high | 93 Ų | 93 | 48 Ų | 48 | 49% | 0.487 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -74.3 | -56.8 | -176.1 | -67.4 | 179 | 0 | 0 | 0 | 111.8 | I164 V165 L172 L173 | I164-L168 HydrophobicContact CG2-CD1 3.81Å; I164-L168 HydrophobicContact CG2-CG 4.35Å; I164-L168 WeakPolarHBondContact O-CB 3.49Å; I164-L168 WeakPolarHBondContact O-CG 3.39Å; I164-L168 PolarHBondContact O-N 2.83Å; V165-L168 PolarHBondContact O-N 3.17Å; L168-L172 HydrophobicContact CD2-CD2 4.25Å; L168-L172 WeakPolarHBondContact O-CB 3.35Å; L168-L172 PolarHBondContact O-N 2.91Å; L168-L173 WeakPolarHBondContact O-CD1 3.49Å; L168-L173 PolarHBondContact O-N 3.47Å |
| 169 | C | 90.7 | Very high | 91.3 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -74.8 | -53.4 | 179.3 | -61.6 | 0 | 0 | 0 | 0 | 110 | A141 I144 V165 V171 L173 | A141-C169 WeakPolarHBondContact CB-O 3.41Å; I144-C169 HydrophobicContact CG2-CB 4.47Å; V165-C169 HydrophobicContact CG1-CB 4.17Å; V165-C169 WeakPolarHBondContact O-CA 3.3Å; V165-C169 VanDerWaalsContact O-CB 3.25Å; V165-C169 WeakPolarHBondContact O-CB 3.46Å; V165-C169 PolarHBondContact O-N 3.18Å; C169-V171 PolarHBondContact O-N 3.46Å; C169-L173 WeakPolarHBondContact O-CB 3.46Å |
| 170 | G | 88.3 | Confident | 91.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -67.8 | -32.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V165 A166 Q174 G197 W200 | V165-G170 PolarHBondContact O-N 2.87Å; A166-G170 CarbonylContact O-C 3.52Å; A166-G170 WeakPolarHBondContact O-CA 3.5Å; A166-G170 PolarHBondContact O-N 3.31Å; G170-Q174 WeakPolarHBondContact O-CB 3.37Å; G170-G197 WeakPolarHBondContact O-CA 3.28Å; G170-W200 VanDerWaalsContact CA-CD1 3.44Å |
| 171 | V | 94.2 | Very high | 90.8 | Very high | 28 Ų | 28 | 43.8 Ų | 43.8 | 17% | 0.17 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -105.8 | -61.8 | 180 | -168.7 | 0 | 0 | 0 | 0 | 112 | A166 L167 C169 Q174 L175 W200 G201 | A166-V171 PolarHBondContact O-N 3.37Å; A166-V171 VanDerWaalsContact O-N 3.11Å; L167-V171 HydrophobicContact CD2-CG2 4.23Å; L167-V171 WeakPolarHBondContact O-CA 3.46Å; L167-V171 WeakPolarHBondContact O-CB 3.37Å; L167-V171 PolarHBondContact O-N 2.97Å; C169-V171 PolarHBondContact O-N 3.46Å; V171-Q174 WeakPolarHBondContact O-CB 3.34Å; V171-Q174 PolarHBondContact O-N 3.34Å; V171-L175 HydrophobicContact CG1-CD1 3.88Å; V171-L175 HydrophobicContact CG1-CG 4.32Å; V171-L175 WeakPolarHBondContact O-CB 3.48Å; V171-L175 VanDerWaalsContact O-CG 3.29Å; V171-L175 WeakPolarHBondContact O-CG 3.2Å; V171-L175 PolarHBondContact O-N 3.16Å; V171-W200 HydrophobicContact CG2-CB 3.99Å; V171-G201 VanDerWaalsContact CG2-CA 3.43Å; V171-G201 VanDerWaalsContact CG2-N 3.29Å |
| 172 | L | 93.1 | Very high | 90.4 | Very high | 90 Ų | 90 | 47.6 Ų | 47.6 | 47% | 0.471 | 24% | 0.241 | S | C | . | . | I | π-helix | trans | -64.3 | -50.4 | -169 | 178.2 | 63.6 | 0 | 0 | 0 | 112.3 | L167 L168 Q174 L175 I176 | L167-L172 PolarHBondContact O-N 3.21Å; L168-L172 HydrophobicContact CD2-CD2 4.25Å; L168-L172 WeakPolarHBondContact O-CB 3.35Å; L168-L172 PolarHBondContact O-N 2.91Å; L172-Q174 VanDerWaalsContact C-N 3.26Å; L172-Q174 PolarHBondContact O-N 3.49Å; L172-L175 PolarHBondContact O-N 3.23Å; L172-I176 HydrophobicContact CD1-CD1 4.45Å; L172-I176 HydrophobicContact CG-CD1 4.33Å; L172-I176 WeakPolarHBondContact O-CG1 3.05Å; L172-I176 PolarHBondContact O-N 3.35Å; L172-I176 VanDerWaalsContact O-N 3.08Å |
| 173 | L | 91.3 | Very high | 89.9 | Confident | 57 Ų | 57 | 56.2 Ų | 56.2 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -62.7 | -37.3 | 176.7 | -92.5 | 64.8 | 0 | 0 | 0 | 111.6 | V137 A141 L168 C169 I176 A177 | V137-L173 HydrophobicContact CG1-CB 4.39Å; V137-L173 HydrophobicContact CG1-CG 4.48Å; A141-L173 HydrophobicContact CB-CB 3.83Å; A141-L173 HydrophobicContact CB-CD2 4.42Å; L168-L173 WeakPolarHBondContact O-CD1 3.49Å; L168-L173 PolarHBondContact O-N 3.47Å; C169-L173 WeakPolarHBondContact O-CB 3.46Å; L173-I176 PolarHBondContact O-N 2.98Å; L173-A177 PolarHBondContact O-N 3.24Å |
| 174 | Q | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 179.2 | -161 | 69.9 | 45.1 | 0 | 0 | 112.6 | S138 G170 V171 L172 A177 S178 C193 F196 | S138-Q174 PolarHBondContact O-OE1 2.93Å; S138-Q174 PolarHBondContact OG-NE2 3.15Å; G170-Q174 WeakPolarHBondContact O-CB 3.37Å; V171-Q174 WeakPolarHBondContact O-CB 3.34Å; V171-Q174 PolarHBondContact O-N 3.34Å; L172-Q174 VanDerWaalsContact C-N 3.26Å; L172-Q174 PolarHBondContact O-N 3.49Å; Q174-A177 PolarHBondContact O-N 3.42Å; Q174-S178 WeakPolarHBondContact O-CB 3.39Å; Q174-S178 PolarHBondContact O-N 3.02Å; Q174-S178 PolarHBondContact O-OG 3.24Å; Q174-C193 HydrophobicContact CG-CB 4.34Å; Q174-C193 WeakPolarHBondContact CG-O 3.16Å; Q174-C193 VanDerWaalsContact NE2-CB 3.29Å; Q174-C193 PolarHBondContact NE2-SG 3.14Å; Q174-C193 VanDerWaalsContact NE2-SG 3.36Å; Q174-F196 HydrophobicContact CG-CB 4.05Å |
| 175 | L | 91.5 | Very high | 88.7 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 36% | 0.356 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 172.7 | -71.2 | 175.7 | 0 | 0 | 0 | 111.9 | V171 L172 S178 K179 M194 | V171-L175 HydrophobicContact CG1-CD1 3.88Å; V171-L175 HydrophobicContact CG1-CG 4.32Å; V171-L175 WeakPolarHBondContact O-CB 3.48Å; V171-L175 VanDerWaalsContact O-CG 3.29Å; V171-L175 WeakPolarHBondContact O-CG 3.2Å; V171-L175 PolarHBondContact O-N 3.16Å; L172-L175 PolarHBondContact O-N 3.23Å; L175-S178 WeakPolarHBondContact O-CB 3.22Å; L175-S178 PolarHBondContact O-N 2.96Å; L175-K179 PolarHBondContact O-N 3.44Å; L175-M194 HydrophobicContact CD2-CE 3.94Å; L175-M194 HydrophobicContact CD2-SD 3.74Å |
| 176 | I | 90 | Very high | 88.1 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 41% | 0.41 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 173.6 | -65.9 | 166.3 | 0 | 0 | 0 | 110.2 | L172 L173 S178 K179 N180 | L172-I176 HydrophobicContact CD1-CD1 4.45Å; L172-I176 HydrophobicContact CG-CD1 4.33Å; L172-I176 WeakPolarHBondContact O-CG1 3.05Å; L172-I176 PolarHBondContact O-N 3.35Å; L172-I176 VanDerWaalsContact O-N 3.08Å; L173-I176 PolarHBondContact O-N 2.98Å; I176-S178 VanDerWaalsContact C-N 3.28Å; I176-S178 PolarHBondContact O-N 3.47Å; I176-K179 WeakPolarHBondContact O-CB 3.47Å; I176-K179 PolarHBondContact O-N 2.87Å; I176-N180 PolarHBondContact O-N 3.34Å |
| 177 | A | 87.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V137 L173 Q174 K179 N180 A181 | V137-A177 HydrophobicContact CB-CB 4.34Å; V137-A177 HydrophobicContact CG1-CB 4.29Å; L173-A177 PolarHBondContact O-N 3.24Å; Q174-A177 PolarHBondContact O-N 3.42Å; A177-K179 VanDerWaalsContact C-N 3.35Å; A177-K179 PolarHBondContact O-N 3.43Å; A177-N180 WeakPolarHBondContact O-CB 3.26Å; A177-N180 PolarHBondContact O-N 3.33Å; A177-N180 VanDerWaalsContact O-N 3.12Å; A177-A181 PolarHBondContact O-N 3.47Å |
| 178 | S | 87.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 176 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | Q174 L175 I176 N180 A181 K182 Y190 C193 M194 | Q174-S178 WeakPolarHBondContact O-CB 3.39Å; Q174-S178 PolarHBondContact O-N 3.02Å; Q174-S178 PolarHBondContact O-OG 3.24Å; L175-S178 WeakPolarHBondContact O-CB 3.22Å; L175-S178 PolarHBondContact O-N 2.96Å; I176-S178 VanDerWaalsContact C-N 3.28Å; I176-S178 PolarHBondContact O-N 3.47Å; S178-N180 VanDerWaalsContact C-N 3.27Å; S178-N180 PolarHBondContact O-N 3.41Å; S178-A181 PolarHBondContact O-N 3.26Å; S178-K182 WeakPolarHBondContact O-CB 3.42Å; S178-K182 PolarHBondContact O-N 2.84Å; S178-Y190 VanDerWaalsContact O-CD2 3.27Å; S178-Y190 WeakPolarHBondContact O-CD2 3.41Å; S178-C193 WeakPolarHBondContact OG-CB 3.43Å; S178-M194 PolarHBondContact OG-N 2.79Å |
| 179 | K | 88.6 | Confident | 86.6 | Confident | 155 Ų | 155 | 69.2 Ų | 69.2 | 67% | 0.674 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.2 | -39.4 | 176 | -72 | -179.8 | -180 | -177.4 | 0 | 111.7 | L175 I176 A177 K183 | L175-K179 PolarHBondContact O-N 3.44Å; I176-K179 WeakPolarHBondContact O-CB 3.47Å; I176-K179 PolarHBondContact O-N 2.87Å; A177-K179 VanDerWaalsContact C-N 3.35Å; A177-K179 PolarHBondContact O-N 3.43Å; K179-K183 PolarHBondContact O-N 3.25Å; K179-K183 VanDerWaalsContact O-N 3.08Å |
| 180 | N | 84.4 | Confident | 86.6 | Confident | 71 Ų | 71 | 72 Ų | 72 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 176.9 | -68.2 | -23 | 0 | 0 | 0 | 111.8 | I176 A177 S178 K182 K183 Q184 | I176-N180 PolarHBondContact O-N 3.34Å; A177-N180 WeakPolarHBondContact O-CB 3.26Å; A177-N180 PolarHBondContact O-N 3.33Å; A177-N180 VanDerWaalsContact O-N 3.12Å; S178-N180 VanDerWaalsContact C-N 3.27Å; S178-N180 PolarHBondContact O-N 3.41Å; N180-K182 VanDerWaalsContact C-N 3.31Å; N180-K182 PolarHBondContact O-N 2.82Å; N180-K183 WeakPolarHBondContact O-CB 3.41Å; N180-K183 PolarHBondContact O-N 3.22Å; N180-K183 VanDerWaalsContact O-N 3.13Å; N180-Q184 WeakPolarHBondContact O-CG 3.5Å; N180-Q184 PolarHBondContact O-N 3.2Å |
| 181 | A | 82.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A177 S178 K183 Q184 R185 N186 E189 | A177-A181 PolarHBondContact O-N 3.47Å; S178-A181 PolarHBondContact O-N 3.26Å; A181-K183 PolarHBondContact O-N 3.18Å; A181-Q184 PolarHBondContact O-N 2.91Å; A181-R185 PolarHBondContact O-N 3.41Å; A181-N186 PolarHBondContact O-N 3.09Å; A181-N186 VanDerWaalsContact O-N 3.11Å; A181-E189 HydrophobicContact CB-CB 4.02Å; A181-E189 HydrophobicContact CB-CG 3.64Å |
| 182 | K | 84.4 | Confident | 86.4 | Confident | 140 Ų | 140 | 73.6 Ų | 73.6 | 61% | 0.609 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.6 | -42.4 | 174.4 | -172.3 | 176.8 | -178.9 | 177.4 | 0 | 112 | S178 N180 Q184 R185 Y190 | S178-K182 WeakPolarHBondContact O-CB 3.42Å; S178-K182 PolarHBondContact O-N 2.84Å; N180-K182 VanDerWaalsContact C-N 3.31Å; N180-K182 PolarHBondContact O-N 2.82Å; K182-Q184 VanDerWaalsContact C-N 3.28Å; K182-Q184 PolarHBondContact O-N 3.19Å; K182-R185 PolarHBondContact O-N 3.41Å; K182-R185 VanDerWaalsContact O-N 3.07Å; K182-Y190 HydrophobicContact CB-CD2 3.87Å; K182-Y190 HydrophobicContact CB-CE2 4.15Å; K182-Y190 HydrophobicContact CB-CG 4.45Å; K182-Y190 HydrophobicContact CD-CE2 4.3Å |
| 183 | K | 81.7 | Confident | 86.4 | Confident | 185 Ų | 185 | 69.3 Ų | 69.3 | 80% | 0.804 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.7 | -35.7 | 176.5 | -173.9 | 179.1 | 178.9 | -179.8 | 0 | 111.9 | K179 N180 A181 R185 | K179-K183 PolarHBondContact O-N 3.25Å; K179-K183 VanDerWaalsContact O-N 3.08Å; N180-K183 WeakPolarHBondContact O-CB 3.41Å; N180-K183 PolarHBondContact O-N 3.22Å; N180-K183 VanDerWaalsContact O-N 3.13Å; A181-K183 PolarHBondContact O-N 3.18Å; K183-R185 PolarHBondContact O-N 3.05Å |
| 184 | Q | 79.7 | Confident | 86.4 | Confident | 132 Ų | 132 | 69.7 Ų | 69.7 | 62% | 0.617 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -1.6 | 176 | -65.5 | 177.4 | 12.1 | 0 | 0 | 113.7 | N180 A181 K182 N186 | N180-Q184 WeakPolarHBondContact O-CG 3.5Å; N180-Q184 PolarHBondContact O-N 3.2Å; A181-Q184 PolarHBondContact O-N 2.91Å; K182-Q184 VanDerWaalsContact C-N 3.28Å; K182-Q184 PolarHBondContact O-N 3.19Å; Q184-N186 PolarHBondContact O-N 3.4Å |
| 185 | R | 79.6 | Confident | 86.5 | Confident | 235 Ų | 235 | 72.5 Ų | 72.5 | 89% | 0.887 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 29.2 | -175.1 | -56.6 | -174.5 | 174.8 | -158.9 | -1 | 113.4 | A181 K182 K183 | A181-R185 PolarHBondContact O-N 3.41Å; K182-R185 PolarHBondContact O-N 3.41Å; K182-R185 VanDerWaalsContact O-N 3.07Å; K183-R185 PolarHBondContact O-N 3.05Å |
| 186 | N | 80.7 | Confident | 86.6 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 17% | 0.171 | 33% | 0.333 | C | S | . | . | trans | -93.5 | 96 | 173.7 | -173.3 | -3.6 | 0 | 0 | 0 | 109.8 | A181 Q184 E189 Y190 | A181-N186 PolarHBondContact O-N 3.09Å; A181-N186 VanDerWaalsContact O-N 3.11Å; Q184-N186 PolarHBondContact O-N 3.4Å; N186-E189 HydrophobicContact CB-CB 4.16Å; N186-E189 VanDerWaalsContact CG-CB 3.48Å; N186-E189 WeakPolarHBondContact ND2-CB 3.27Å; N186-E189 PolarHBondContact ND2-OE2 2.72Å; N186-E189 PolarHBondContact OD1-N 3.34Å; N186-Y190 WeakPolarHBondContact O-CB 3.48Å; N186-Y190 PolarHBondContact O-N 3.36Å; N186-Y190 VanDerWaalsContact O-N 3.1Å | ||
| 187 | S | 83.4 | Confident | 86.7 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67 | -38.9 | -176.3 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | Y190 A191 | S187-Y190 PolarHBondContact O-N 2.75Å; S187-A191 WeakPolarHBondContact O-CB 3.45Å; S187-A191 PolarHBondContact O-N 3.44Å |
| 188 | T | 84.8 | Confident | 87.1 | Confident | 57 Ų | 57 | 70.2 Ų | 70.2 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -48.6 | -178.9 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | A191 N192 M243 | T188-A191 PolarHBondContact O-N 2.98Å; T188-N192 PolarHBondContact O-N 3.29Å; T188-N192 PolarHBondContact O-ND2 3.39Å; T188-M243 HydrophobicContact CG2-CE 4.31Å |
| 189 | E | 83.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 71 Ų | 71 | 3% | 0.028 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 177.3 | -178.2 | 178 | -173.9 | 0 | 0 | 112.3 | H133 T135 A181 N186 A191 N192 C193 | H133-E189 WeakPolarHBondContact O-CB 3.49Å; H133-E189 WeakPolarHBondContact O-CG 3.28Å; H133-E189 VanDerWaalsContact O-OE2 3.04Å; T135-E189 WeakPolarHBondContact CA-OE1 3.46Å; T135-E189 VanDerWaalsContact CB-OE1 3.23Å; T135-E189 WeakPolarHBondContact CB-OE1 3.32Å; T135-E189 PolarHBondContact N-OE1 2.89Å; T135-E189 PolarHBondContact OG1-OE1 3.24Å; A181-E189 HydrophobicContact CB-CB 4.02Å; A181-E189 HydrophobicContact CB-CG 3.64Å; N186-E189 HydrophobicContact CB-CB 4.16Å; N186-E189 VanDerWaalsContact CG-CB 3.48Å; N186-E189 WeakPolarHBondContact ND2-CB 3.27Å; N186-E189 PolarHBondContact ND2-OE2 2.72Å; N186-E189 PolarHBondContact OD1-N 3.34Å; E189-A191 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 2.87Å; E189-N192 PolarHBondContact O-N 2.84Å; E189-C193 WeakPolarHBondContact O-CB 3.45Å; E189-C193 PolarHBondContact O-N 3.41Å; E189-C193 PolarHBondContact O-SG 2.88Å |
| 190 | Y | 89.3 | Confident | 87.8 | Confident | 83 Ų | 83 | 63.7 Ų | 63.7 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 175.2 | 174.9 | -109.4 | 0 | 0 | 0 | 111.3 | S178 K182 N186 S187 C193 M194 | S178-Y190 VanDerWaalsContact O-CD2 3.27Å; S178-Y190 WeakPolarHBondContact O-CD2 3.41Å; K182-Y190 HydrophobicContact CB-CD2 3.87Å; K182-Y190 HydrophobicContact CB-CE2 4.15Å; K182-Y190 HydrophobicContact CB-CG 4.45Å; K182-Y190 HydrophobicContact CD-CE2 4.3Å; N186-Y190 WeakPolarHBondContact O-CB 3.48Å; N186-Y190 PolarHBondContact O-N 3.36Å; N186-Y190 VanDerWaalsContact O-N 3.1Å; S187-Y190 PolarHBondContact O-N 2.75Å; Y190-C193 PolarHBondContact O-N 3.41Å; Y190-M194 HydrophobicContact CD2-CG 4.21Å; Y190-M194 HydrophobicContact CE1-CG 4.24Å; Y190-M194 HydrophobicContact CE2-CG 3.78Å; Y190-M194 HydrophobicContact CE2-SD 4.14Å; Y190-M194 WeakPolarHBondContact O-CB 3.45Å; Y190-M194 VanDerWaalsContact O-CG 3.28Å; Y190-M194 WeakPolarHBondContact O-CG 3.4Å; Y190-M194 PolarHBondContact O-N 3.44Å |
| 191 | A | 89.3 | Confident | 88.3 | Confident | 46 Ų | 46 | 61 Ų | 61 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S187 T188 E189 C193 M194 M195 | S187-A191 WeakPolarHBondContact O-CB 3.45Å; S187-A191 PolarHBondContact O-N 3.44Å; T188-A191 PolarHBondContact O-N 2.98Å; E189-A191 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 2.87Å; A191-C193 VanDerWaalsContact C-N 3.33Å; A191-C193 PolarHBondContact O-N 2.9Å; A191-M194 PolarHBondContact O-N 3.32Å; A191-M195 WeakPolarHBondContact O-CB 3.5Å; A191-M195 WeakPolarHBondContact O-CG 3.39Å; A191-M195 PolarHBondContact O-N 3.36Å |
| 192 | N | 90.2 | Very high | 88.9 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.08 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 179.4 | -68.8 | -16.2 | 0 | 0 | 0 | 111.7 | T188 E189 M195 F196 Y232 Y236 | T188-N192 PolarHBondContact O-N 3.29Å; T188-N192 PolarHBondContact O-ND2 3.39Å; E189-N192 PolarHBondContact O-N 2.84Å; N192-M195 PolarHBondContact O-N 3.48Å; N192-F196 HydrophobicContact CB-CE2 4.42Å; N192-F196 VanDerWaalsContact O-CD2 3.31Å; N192-F196 WeakPolarHBondContact O-CD2 3.31Å; N192-F196 VanDerWaalsContact O-CG 3.28Å; N192-F196 WeakPolarHBondContact O-CG 2.98Å; N192-F196 PolarHBondContact O-N 3.44Å; N192-Y232 WeakPolarHBondContact CA-OH 3.44Å; N192-Y232 PolarHBondContact OD1-OH 2.69Å; N192-Y236 HydrophobicContact CB-CE2 4.35Å; N192-Y236 WeakPolarHBondContact ND2-CE2 3.46Å |
| 193 | C | 91.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 177.9 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | Q174 S178 E189 Y190 A191 M195 F196 G197 | Q174-C193 HydrophobicContact CG-CB 4.34Å; Q174-C193 WeakPolarHBondContact CG-O 3.16Å; Q174-C193 VanDerWaalsContact NE2-CB 3.29Å; Q174-C193 PolarHBondContact NE2-SG 3.14Å; Q174-C193 VanDerWaalsContact NE2-SG 3.36Å; S178-C193 WeakPolarHBondContact OG-CB 3.43Å; E189-C193 WeakPolarHBondContact O-CB 3.45Å; E189-C193 PolarHBondContact O-N 3.41Å; E189-C193 PolarHBondContact O-SG 2.88Å; Y190-C193 PolarHBondContact O-N 3.41Å; A191-C193 VanDerWaalsContact C-N 3.33Å; A191-C193 PolarHBondContact O-N 2.9Å; C193-M195 VanDerWaalsContact C-N 3.33Å; C193-M195 PolarHBondContact O-N 2.97Å; C193-F196 PolarHBondContact O-N 2.91Å; C193-G197 PolarHBondContact O-N 2.98Å |
| 194 | M | 92.6 | Very high | 89.8 | Confident | 66 Ų | 66 | 48.6 Ų | 48.6 | 33% | 0.325 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.4 | -72.5 | -60.9 | -53.1 | 0 | 0 | 112.2 | L175 S178 Y190 A191 G197 L198 | L175-M194 HydrophobicContact CD2-CE 3.94Å; L175-M194 HydrophobicContact CD2-SD 3.74Å; S178-M194 PolarHBondContact OG-N 2.79Å; Y190-M194 HydrophobicContact CD2-CG 4.21Å; Y190-M194 HydrophobicContact CE1-CG 4.24Å; Y190-M194 HydrophobicContact CE2-CG 3.78Å; Y190-M194 HydrophobicContact CE2-SD 4.14Å; Y190-M194 WeakPolarHBondContact O-CB 3.45Å; Y190-M194 VanDerWaalsContact O-CG 3.28Å; Y190-M194 WeakPolarHBondContact O-CG 3.4Å; Y190-M194 PolarHBondContact O-N 3.44Å; A191-M194 PolarHBondContact O-N 3.32Å; M194-G197 PolarHBondContact O-N 2.94Å; M194-L198 VanDerWaalsContact O-CB 3.31Å; M194-L198 WeakPolarHBondContact O-CB 3.32Å; M194-L198 PolarHBondContact O-N 3.49Å |
| 195 | M | 93.6 | Very high | 90.4 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 29% | 0.291 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.2 | -41.8 | 179.3 | -72.8 | -59.3 | -67.1 | 0 | 0 | 112.5 | A191 N192 C193 G197 L198 F199 Y229 Y232 | A191-M195 WeakPolarHBondContact O-CB 3.5Å; A191-M195 WeakPolarHBondContact O-CG 3.39Å; A191-M195 PolarHBondContact O-N 3.36Å; N192-M195 PolarHBondContact O-N 3.48Å; C193-M195 VanDerWaalsContact C-N 3.33Å; C193-M195 PolarHBondContact O-N 2.97Å; M195-G197 VanDerWaalsContact C-N 3.34Å; M195-L198 PolarHBondContact O-N 2.96Å; M195-F199 WeakPolarHBondContact O-CB 3.42Å; M195-F199 PolarHBondContact O-N 3.02Å; M195-Y229 HydrophobicContact CE-CE1 3.99Å; M195-Y229 WeakPolarHBondContact O-CE1 3Å; M195-Y232 HydrophobicContact CB-CD2 4.3Å; M195-Y232 HydrophobicContact CB-CE1 4.05Å; M195-Y232 HydrophobicContact CB-CE2 3.69Å; M195-Y232 HydrophobicContact CE-CD2 3.82Å; M195-Y232 HydrophobicContact CE-CE2 4.35Å; M195-Y232 HydrophobicContact CE-CG 3.93Å; M195-Y232 HydrophobicContact CG-CD2 4.01Å; M195-Y232 HydrophobicContact CG-CE2 3.59Å |
| 196 | F | 92.7 | Very high | 91 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 172.7 | -63.5 | -27.9 | 0 | 0 | 0 | 111.9 | H142 Q174 N192 C193 F199 W200 Y232 F233 Y236 F250 | H142-F196 AromaticContact CE1-CD1 3.81Å; H142-F196 AromaticContact ND1-CD1 3.94Å; H142-F196 AromaticContact ND1-CG 3.68Å; Q174-F196 HydrophobicContact CG-CB 4.05Å; N192-F196 HydrophobicContact CB-CE2 4.42Å; N192-F196 VanDerWaalsContact O-CD2 3.31Å; N192-F196 WeakPolarHBondContact O-CD2 3.31Å; N192-F196 VanDerWaalsContact O-CG 3.28Å; N192-F196 WeakPolarHBondContact O-CG 2.98Å; N192-F196 PolarHBondContact O-N 3.44Å; C193-F196 PolarHBondContact O-N 2.91Å; F196-F199 WeakPolarHBondContact O-CB 3.47Å; F196-F199 PolarHBondContact O-N 2.93Å; F196-W200 PolarHBondContact O-N 3.09Å; F196-Y232 HydrophobicContact CD1-CE1 4.28Å; F196-Y232 AromaticContact CE1-CE1 3.83Å; F196-Y232 HydrophobicContact CE1-CE1 3.83Å; F196-F233 HydrophobicContact CD1-CZ 4.25Å; F196-F233 HydrophobicContact CE1-CE1 4.03Å; F196-F233 HydrophobicContact CE1-CE2 4.2Å; F196-F233 AromaticContact CE1-CZ 3.47Å; F196-F233 HydrophobicContact CE1-CZ 3.47Å; F196-F233 VanDerWaalsContact CE1-CZ 3.47Å; F196-F233 HydrophobicContact CZ-CE1 4.5Å; F196-F233 HydrophobicContact CZ-CZ 4.31Å; F196-Y236 HydrophobicContact CZ-CD2 4.32Å; F196-Y236 AromaticContact CZ-CE2 3.85Å; F196-Y236 HydrophobicContact CZ-CE2 3.85Å; F196-F250 HydrophobicContact CZ-CE1 4.16Å; F196-F250 HydrophobicContact CZ-CZ 4.47Å |
| 197 | G | 93.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G170 C193 M194 M195 G201 | G170-G197 WeakPolarHBondContact O-CA 3.28Å; C193-G197 PolarHBondContact O-N 2.98Å; M194-G197 PolarHBondContact O-N 2.94Å; M195-G197 VanDerWaalsContact C-N 3.34Å; G197-G201 PolarHBondContact O-N 3.36Å |
| 198 | L | 95.2 | Very high | 91.7 | Very high | 93 Ų | 93 | 32.9 Ų | 32.9 | 49% | 0.487 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 176.7 | -173.9 | 63.6 | 0 | 0 | 0 | 111.6 | M194 M195 G201 C202 Y229 | M194-L198 VanDerWaalsContact O-CB 3.31Å; M194-L198 WeakPolarHBondContact O-CB 3.32Å; M194-L198 PolarHBondContact O-N 3.49Å; M195-L198 PolarHBondContact O-N 2.96Å; L198-G201 PolarHBondContact O-N 2.7Å; L198-C202 WeakPolarHBondContact O-CB 3.32Å; L198-C202 PolarHBondContact O-N 2.64Å; L198-C202 PolarHBondContact O-SG 3.44Å; L198-C202 VanDerWaalsContact O-SG 3.38Å; L198-Y229 VanDerWaalsContact C-OH 3.28Å; L198-Y229 WeakPolarHBondContact CG-OH 3.36Å |
| 199 | F | 95.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.6 | -56.7 | 177.1 | 173.1 | -103.4 | 0 | 0 | 0 | 110.3 | M195 F196 G201 C202 F203 F225 F226 Y229 | M195-F199 WeakPolarHBondContact O-CB 3.42Å; M195-F199 PolarHBondContact O-N 3.02Å; F196-F199 WeakPolarHBondContact O-CB 3.47Å; F196-F199 PolarHBondContact O-N 2.93Å; F199-G201 VanDerWaalsContact C-N 3.28Å; F199-G201 PolarHBondContact O-N 3.3Å; F199-C202 PolarHBondContact O-N 2.91Å; F199-F203 WeakPolarHBondContact O-CB 3.44Å; F199-F203 PolarHBondContact O-N 2.88Å; F199-F225 AromaticContact CD2-CE1 3.91Å; F199-F225 HydrophobicContact CD2-CE1 3.91Å; F199-F225 AromaticContact CD2-CZ 3.75Å; F199-F225 HydrophobicContact CD2-CZ 3.75Å; F199-F225 AromaticContact CE2-CE1 3.72Å; F199-F225 HydrophobicContact CE2-CE1 3.72Å; F199-F225 HydrophobicContact CE2-CZ 4.06Å; F199-F226 HydrophobicContact CE2-CD1 4.1Å; F199-F226 AromaticContact CE2-CE1 3.85Å; F199-F226 HydrophobicContact CE2-CE1 3.85Å; F199-F226 AromaticContact CZ-CE1 3.98Å; F199-F226 HydrophobicContact CZ-CE1 3.98Å; F199-Y229 VanDerWaalsContact CA-CZ 3.46Å; F199-Y229 VanDerWaalsContact CA-OH 3.22Å; F199-Y229 WeakPolarHBondContact CA-OH 2.96Å; F199-Y229 HydrophobicContact CB-CD1 4.01Å; F199-Y229 HydrophobicContact CB-CE1 3.46Å; F199-Y229 VanDerWaalsContact CB-CE1 3.46Å; F199-Y229 HydrophobicContact CB-CE2 4.3Å; F199-Y229 AromaticContact CD2-CD1 3.79Å; F199-Y229 HydrophobicContact CD2-CD1 3.79Å; F199-Y229 AromaticContact CD2-CD2 3.69Å; F199-Y229 HydrophobicContact CD2-CD2 3.69Å; F199-Y229 AromaticContact CD2-CE1 4Å; F199-Y229 HydrophobicContact CD2-CE1 4Å; F199-Y229 AromaticContact CD2-CE2 3.9Å; F199-Y229 HydrophobicContact CD2-CE2 3.9Å; F199-Y229 AromaticContact CD2-CG 3.63Å; F199-Y229 HydrophobicContact CD2-CG 3.63Å; F199-Y229 HydrophobicContact CE2-CD2 4.39Å; F199-Y229 HydrophobicContact CE2-CG 4.31Å; F199-Y229 HydrophobicContact CG-CD1 4.27Å; F199-Y229 HydrophobicContact CG-CE1 4.18Å; F199-Y229 PolarHBondContact N-OH 3.45Å |
| 200 | W | 95.6 | Very high | 92 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.011 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -33.5 | -178.6 | -68.8 | 120.2 | 0 | 0 | 0 | 112.2 | H142 A145 L146 Q149 A166 G170 V171 F196 F203 S204 | H142-W200 AromaticContact CE1-NE1 3.61Å; H142-W200 AromaticContact ND1-NE1 3.19Å; H142-W200 PolarHBondContact ND1-NE1 2.87Å; H142-W200 VanDerWaalsContact ND1-NE1 3.19Å; A145-W200 HydrophobicContact CB-CD2 3.9Å; A145-W200 VanDerWaalsContact CB-CE2 3.45Å; A145-W200 HydrophobicContact CB-CE3 4.36Å; A145-W200 HydrophobicContact CB-CG 4.42Å; A145-W200 HydrophobicContact CB-CH2 4.06Å; A145-W200 HydrophobicContact CB-CZ2 3.55Å; A145-W200 HydrophobicContact CB-CZ3 4.44Å; L146-W200 HydrophobicContact CD2-CH2 4.02Å; L146-W200 HydrophobicContact CD2-CZ2 3.77Å; L146-W200 HydrophobicContact CG-CH2 4.49Å; L146-W200 HydrophobicContact CG-CZ2 3.94Å; Q149-W200 HydrophobicContact CB-CH2 3.98Å; Q149-W200 HydrophobicContact CB-CZ3 4.15Å; Q149-W200 HydrophobicContact CG-CH2 4.37Å; Q149-W200 HydrophobicContact CG-CZ3 4.33Å; A166-W200 HydrophobicContact CB-CE3 3.9Å; A166-W200 HydrophobicContact CB-CZ3 4.48Å; G170-W200 VanDerWaalsContact CA-CD1 3.44Å; V171-W200 HydrophobicContact CG2-CB 3.99Å; F196-W200 PolarHBondContact O-N 3.09Å; W200-F203 HydrophobicContact CE3-CD1 4.27Å; W200-F203 HydrophobicContact CZ3-CD1 4.24Å; W200-S204 WeakPolarHBondContact O-CB 3.08Å; W200-S204 PolarHBondContact O-N 3.01Å; W200-S204 PolarHBondContact O-OG 3.39Å |
| 201 | G | 95 | Very high | 92 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.7 | -55.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V171 G197 L198 F199 F203 S204 V205 | V171-G201 VanDerWaalsContact CG2-CA 3.43Å; V171-G201 VanDerWaalsContact CG2-N 3.29Å; G197-G201 PolarHBondContact O-N 3.36Å; L198-G201 PolarHBondContact O-N 2.7Å; F199-G201 VanDerWaalsContact C-N 3.28Å; F199-G201 PolarHBondContact O-N 3.3Å; G201-F203 PolarHBondContact O-N 3.32Å; G201-S204 PolarHBondContact O-N 2.92Å; G201-V205 VanDerWaalsContact O-CG2 3.3Å; G201-V205 WeakPolarHBondContact O-CG2 3.26Å; G201-V205 PolarHBondContact O-N 3.5Å |
| 202 | C | 94.8 | Very high | 91.9 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 31% | 0.311 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 177.3 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | L198 F199 S204 V205 M206 F225 | L198-C202 WeakPolarHBondContact O-CB 3.32Å; L198-C202 PolarHBondContact O-N 2.64Å; L198-C202 PolarHBondContact O-SG 3.44Å; L198-C202 VanDerWaalsContact O-SG 3.38Å; F199-C202 PolarHBondContact O-N 2.91Å; C202-S204 VanDerWaalsContact C-N 3.35Å; C202-S204 PolarHBondContact O-N 3.1Å; C202-V205 PolarHBondContact O-N 3.44Å; C202-M206 WeakPolarHBondContact O-CB 3.39Å; C202-M206 VanDerWaalsContact O-CG 3.26Å; C202-M206 WeakPolarHBondContact O-CG 3.23Å; C202-M206 PolarHBondContact O-N 3.08Å; C202-F225 HydrophobicContact CB-CD2 4.36Å; C202-F225 HydrophobicContact CB-CE2 3.41Å; C202-F225 VanDerWaalsContact CB-CE2 3.41Å; C202-F225 HydrophobicContact CB-CZ 3.88Å |
| 203 | F | 93.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | -179.6 | -177.1 | -105.3 | 0 | 0 | 0 | 112.4 | Q149 F199 W200 G201 T207 Y222 F225 F226 | Q149-F203 VanDerWaalsContact NE2-CZ 3.3Å; F199-F203 WeakPolarHBondContact O-CB 3.44Å; F199-F203 PolarHBondContact O-N 2.88Å; W200-F203 HydrophobicContact CE3-CD1 4.27Å; W200-F203 HydrophobicContact CZ3-CD1 4.24Å; G201-F203 PolarHBondContact O-N 3.32Å; F203-T207 WeakPolarHBondContact O-CB 3.38Å; F203-T207 PolarHBondContact O-N 3.07Å; F203-T207 PolarHBondContact O-OG1 3.28Å; F203-Y222 HydrophobicContact CE2-CE1 4.49Å; F203-F225 HydrophobicContact CB-CE1 4.14Å; F203-F225 HydrophobicContact CB-CZ 4.16Å; F203-F225 HydrophobicContact CD2-CE1 4.25Å; F203-F226 HydrophobicContact CD2-CE1 4.43Å; F203-F226 AromaticContact CD2-CZ 3.94Å; F203-F226 HydrophobicContact CD2-CZ 3.94Å; F203-F226 AromaticContact CE2-CZ 3.73Å; F203-F226 HydrophobicContact CE2-CZ 3.73Å |
| 204 | S | 92.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -47 | 176.8 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | A166 W200 G201 C202 M206 T207 M208 | A166-S204 VanDerWaalsContact CB-OG 3.28Å; A166-S204 WeakPolarHBondContact CB-OG 3.43Å; W200-S204 WeakPolarHBondContact O-CB 3.08Å; W200-S204 PolarHBondContact O-N 3.01Å; W200-S204 PolarHBondContact O-OG 3.39Å; G201-S204 PolarHBondContact O-N 2.92Å; C202-S204 VanDerWaalsContact C-N 3.35Å; C202-S204 PolarHBondContact O-N 3.1Å; S204-M206 PolarHBondContact O-N 3.11Å; S204-T207 PolarHBondContact O-N 3.42Å; S204-M208 VanDerWaalsContact O-CG 3.24Å; S204-M208 WeakPolarHBondContact O-CG 3.22Å; S204-M208 PolarHBondContact O-N 3.29Å |
| 205 | V | 92.1 | Very high | 91.6 | Very high | 75 Ų | 75 | 49.9 Ų | 49.9 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 178.5 | 170.3 | 0 | 0 | 0 | 0 | 111 | G201 C202 T207 M208 F209 | G201-V205 VanDerWaalsContact O-CG2 3.3Å; G201-V205 WeakPolarHBondContact O-CG2 3.26Å; G201-V205 PolarHBondContact O-N 3.5Å; C202-V205 PolarHBondContact O-N 3.44Å; V205-T207 VanDerWaalsContact C-N 3.29Å; V205-T207 PolarHBondContact O-N 3.11Å; V205-M208 PolarHBondContact O-N 3.12Å; V205-M208 VanDerWaalsContact O-N 3.16Å; V205-F209 HydrophobicContact CG1-CE1 3.64Å; V205-F209 HydrophobicContact CG1-CZ 4.24Å; V205-F209 WeakPolarHBondContact O-CD1 3.43Å; V205-F209 WeakPolarHBondContact O-CE1 3.27Å; V205-F209 PolarHBondContact O-N 3.04Å |
| 206 | M | 90.9 | Very high | 91.3 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 14% | 0.143 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59 | -40.5 | 177.1 | -70.7 | 172.7 | 73.6 | 0 | 0 | 112 | C202 S204 M208 P217 Y222 F225 | C202-M206 WeakPolarHBondContact O-CB 3.39Å; C202-M206 VanDerWaalsContact O-CG 3.26Å; C202-M206 WeakPolarHBondContact O-CG 3.23Å; C202-M206 PolarHBondContact O-N 3.08Å; S204-M206 PolarHBondContact O-N 3.11Å; M206-M208 VanDerWaalsContact C-N 3.32Å; M206-M208 PolarHBondContact O-N 3.13Å; M206-P217 HydrophobicContact CB-CG 4.17Å; M206-P217 HydrophobicContact CE-CB 4.02Å; M206-P217 HydrophobicContact CE-CG 4.09Å; M206-P217 HydrophobicContact CG-CG 4.29Å; M206-Y222 HydrophobicContact CB-CE1 3.92Å; M206-Y222 HydrophobicContact CE-CD1 3.59Å; M206-Y222 HydrophobicContact CE-CE1 3.74Å; M206-Y222 HydrophobicContact CE-CG 4.03Å; M206-Y222 PolarHBondContact O-OH 3.48Å; M206-F225 HydrophobicContact CE-CB 4.36Å; M206-F225 HydrophobicContact SD-CB 4.47Å; M206-F225 HydrophobicContact SD-CD1 4.48Å; M206-F225 HydrophobicContact SD-CD2 4.18Å; M206-F225 HydrophobicContact SD-CG 4.12Å |
| 207 | T | 89.1 | Confident | 91.1 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.08 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.4 | -20.9 | -179.2 | -52.3 | 0 | 0 | 0 | 0 | 112.8 | R159 I163 F203 S204 V205 P210 | R159-T207 HydrophobicContact CG-CG2 4.22Å; I163-T207 HydrophobicContact CD1-CG2 3.97Å; I163-T207 HydrophobicContact CG1-CG2 4.15Å; F203-T207 WeakPolarHBondContact O-CB 3.38Å; F203-T207 PolarHBondContact O-N 3.07Å; F203-T207 PolarHBondContact O-OG1 3.28Å; S204-T207 PolarHBondContact O-N 3.42Å; V205-T207 VanDerWaalsContact C-N 3.29Å; V205-T207 PolarHBondContact O-N 3.11Å; T207-P210 WeakPolarHBondContact O-CD 3.36Å |
| 208 | M | 89.9 | Confident | 90.9 | Very high | 44 Ų | 44 | 55 Ų | 55 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -80.5 | -18.1 | 176.2 | -74.5 | 177.4 | 76.5 | 0 | 0 | 113.9 | I163 L167 S204 V205 M206 P210 L211 F212 | I163-M208 HydrophobicContact CD1-CG 3.96Å; I163-M208 HydrophobicContact CG2-CG 3.55Å; I163-M208 HydrophobicContact CG2-SD 3.68Å; L167-M208 HydrophobicContact CD1-SD 3.93Å; S204-M208 VanDerWaalsContact O-CG 3.24Å; S204-M208 WeakPolarHBondContact O-CG 3.22Å; S204-M208 PolarHBondContact O-N 3.29Å; V205-M208 PolarHBondContact O-N 3.12Å; V205-M208 VanDerWaalsContact O-N 3.16Å; M206-M208 VanDerWaalsContact C-N 3.32Å; M206-M208 PolarHBondContact O-N 3.13Å; M208-P210 VanDerWaalsContact C-CD 3.46Å; M208-L211 HydrophobicContact CG-CD1 4.33Å; M208-L211 WeakPolarHBondContact O-CA 3.36Å; M208-L211 VanDerWaalsContact O-CB 3.28Å; M208-L211 WeakPolarHBondContact O-CB 3.48Å; M208-L211 PolarHBondContact O-N 3.39Å; M208-F212 HydrophobicContact CB-CD2 4.24Å; M208-F212 HydrophobicContact CB-CE2 3.85Å; M208-F212 HydrophobicContact CE-CE2 3.6Å; M208-F212 HydrophobicContact CE-CZ 3.55Å; M208-F212 WeakPolarHBondContact O-CD2 3.43Å; M208-F212 PolarHBondContact O-N 3.23Å |
| 209 | F | 89.2 | Confident | 90.4 | Very high | 62 Ų | 62 | 54.2 Ų | 54.2 | 27% | 0.272 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -50.3 | -45.7 | -177.1 | -74.9 | 4.7 | 0 | 0 | 0 | 114.1 | V205 L211 F212 G213 I214 P217 | V205-F209 HydrophobicContact CG1-CE1 3.64Å; V205-F209 HydrophobicContact CG1-CZ 4.24Å; V205-F209 WeakPolarHBondContact O-CD1 3.43Å; V205-F209 WeakPolarHBondContact O-CE1 3.27Å; V205-F209 PolarHBondContact O-N 3.04Å; F209-L211 PolarHBondContact O-N 2.93Å; F209-F212 PolarHBondContact O-N 3.11Å; F209-F212 VanDerWaalsContact O-N 3.08Å; F209-G213 PolarHBondContact O-N 3.46Å; F209-I214 CarbonylContact C-O 3.38Å; F209-I214 HydrophobicContact CB-CB 4.06Å; F209-I214 HydrophobicContact CB-CG2 4.24Å; F209-I214 HydrophobicContact CD2-CG2 4.12Å; F209-I214 HydrophobicContact CG-CB 4.35Å; F209-I214 HydrophobicContact CG-CG2 4.12Å; F209-I214 PolarHBondContact O-N 3.4Å; F209-P217 HydrophobicContact CD2-CG 3.83Å; F209-P217 HydrophobicContact CE2-CG 4.04Å |
| 210 | P | 87.1 | Confident | 90.2 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 31% | 0.305 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -61.7 | -29 | 177 | -22.3 | 33.8 | 0 | 0 | 0 | 114 | T207 M208 F212 G213 Q216 | T207-P210 WeakPolarHBondContact O-CD 3.36Å; M208-P210 VanDerWaalsContact C-CD 3.46Å; P210-F212 VanDerWaalsContact C-N 3.26Å; P210-F212 PolarHBondContact O-N 3.22Å; P210-G213 PolarHBondContact O-N 3.33Å; P210-Q216 HydrophobicContact CG-CB 4.01Å; P210-Q216 HydrophobicContact CG-CG 3.91Å |
| 211 | L | 87.7 | Confident | 90 | Very high | 90 Ų | 90 | 61.1 Ų | 61.1 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -70.3 | -26.2 | 178.8 | -57 | 176.5 | 0 | 0 | 0 | 112 | L160 I163 M208 F209 | L160-L211 HydrophobicContact CD1-CD1 4.08Å; I163-L211 HydrophobicContact CD1-CD1 3.95Å; M208-L211 HydrophobicContact CG-CD1 4.33Å; M208-L211 WeakPolarHBondContact O-CA 3.36Å; M208-L211 VanDerWaalsContact O-CB 3.28Å; M208-L211 WeakPolarHBondContact O-CB 3.48Å; M208-L211 PolarHBondContact O-N 3.39Å; F209-L211 PolarHBondContact O-N 2.93Å |
| 212 | F | 88.7 | Confident | 89.8 | Confident | 136 Ų | 136 | 61 Ų | 61 | 60% | 0.596 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -94.1 | 4.8 | 176.9 | -62.9 | -59.9 | 0 | 0 | 0 | 113.2 | M208 F209 P210 I214 | M208-F212 HydrophobicContact CB-CD2 4.24Å; M208-F212 HydrophobicContact CB-CE2 3.85Å; M208-F212 HydrophobicContact CE-CE2 3.6Å; M208-F212 HydrophobicContact CE-CZ 3.55Å; M208-F212 WeakPolarHBondContact O-CD2 3.43Å; M208-F212 PolarHBondContact O-N 3.23Å; F209-F212 PolarHBondContact O-N 3.11Å; F209-F212 VanDerWaalsContact O-N 3.08Å; P210-F212 VanDerWaalsContact C-N 3.26Å; P210-F212 PolarHBondContact O-N 3.22Å; F212-I214 HydrophobicContact CB-CD1 3.96Å; F212-I214 HydrophobicContact CB-CG1 4Å; F212-I214 PolarHBondContact O-N 2.94Å |
| 213 | G | 87.9 | Confident | 89.7 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 76% | 0.763 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 16.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F209 P210 | F209-G213 PolarHBondContact O-N 3.46Å; P210-G213 PolarHBondContact O-N 3.33Å |
| 214 | I | 90.3 | Very high | 89.8 | Confident | 91 Ų | 91 | 62.2 Ų | 62.2 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 142.2 | 174.5 | -57.8 | 172.4 | 0 | 0 | 0 | 108 | F209 F212 Q216 | F209-I214 CarbonylContact C-O 3.38Å; F209-I214 HydrophobicContact CB-CB 4.06Å; F209-I214 HydrophobicContact CB-CG2 4.24Å; F209-I214 HydrophobicContact CD2-CG2 4.12Å; F209-I214 HydrophobicContact CG-CB 4.35Å; F209-I214 HydrophobicContact CG-CG2 4.12Å; F209-I214 PolarHBondContact O-N 3.4Å; F212-I214 HydrophobicContact CB-CD1 3.96Å; F212-I214 HydrophobicContact CB-CG1 4Å; F212-I214 PolarHBondContact O-N 2.94Å; I214-Q216 PolarHBondContact O-N 3.1Å |
| 215 | V | 89.4 | Confident | 89.9 | Confident | 129 Ų | 129 | 63.5 Ų | 63.5 | 78% | 0.782 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 127.4 | 176.2 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 216 | Q | 86.7 | Confident | 90.1 | Very high | 94 Ų | 94 | 60.6 Ų | 60.6 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 142.1 | 178 | -165.3 | 171.6 | 13.4 | 0 | 0 | 110 | P210 I214 Y222 | P210-Q216 HydrophobicContact CG-CB 4.01Å; P210-Q216 HydrophobicContact CG-CG 3.91Å; I214-Q216 PolarHBondContact O-N 3.1Å; Q216-Y222 HydrophobicContact CG-CE2 4.16Å; Q216-Y222 PolarHBondContact NE2-OH 3.13Å |
| 217 | P | 88.4 | Confident | 90.3 | Very high | 24 Ų | 24 | 61.6 Ų | 61.6 | 16% | 0.156 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 145.6 | 172 | -22.9 | 35 | 0 | 0 | 0 | 110.5 | M206 F209 D221 Y222 | M206-P217 HydrophobicContact CB-CG 4.17Å; M206-P217 HydrophobicContact CE-CB 4.02Å; M206-P217 HydrophobicContact CE-CG 4.09Å; M206-P217 HydrophobicContact CG-CG 4.29Å; F209-P217 HydrophobicContact CD2-CG 3.83Å; F209-P217 HydrophobicContact CE2-CG 4.04Å; P217-D221 HydrophobicContact CB-CB 3.93Å; P217-Y222 HydrophobicContact CB-CD2 4.17Å; P217-Y222 HydrophobicContact CB-CE2 3.82Å; P217-Y222 HydrophobicContact CG-CE2 4.2Å; P217-Y222 WeakPolarHBondContact O-CE2 3.41Å |
| 218 | S | 89.1 | Confident | 90.7 | Very high | 57 Ų | 57 | 63.6 Ų | 63.6 | 40% | 0.399 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -66 | 161.6 | 179.1 | 74.1 | 0 | 0 | 0 | 0 | 110.6 | V220 D221 Y222 | S218-V220 PolarHBondContact O-N 2.88Å; S218-D221 VanDerWaalsContact CB-OD2 3.31Å; S218-D221 WeakPolarHBondContact CB-OD2 3.47Å; S218-D221 PolarHBondContact N-OD2 3.39Å; S218-D221 WeakPolarHBondContact O-CB 3.33Å; S218-D221 PolarHBondContact O-N 3.39Å; S218-D221 PolarHBondContact OG-N 3.34Å; S218-D221 PolarHBondContact OG-OD2 3.2Å; S218-Y222 WeakPolarHBondContact O-CD2 3.43Å; S218-Y222 PolarHBondContact O-N 2.96Å |
| 219 | R | 85.8 | Confident | 91 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 29% | 0.287 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56 | -36.9 | 175 | -169.8 | 179 | -178.9 | -159.9 | 2 | 111.8 | Y222 G223 N264 Y265 T267 G270 P271 | R219-Y222 PolarHBondContact O-N 2.68Å; R219-G223 PolarHBondContact O-N 2.67Å; R219-N264 PolarHBondContact NH2-O 3.29Å; R219-Y265 HydrophobicContact CG-CD1 3.54Å; R219-Y265 HydrophobicContact CG-CE1 4.17Å; R219-Y265 HydrophobicContact CG-CG 4.5Å; R219-Y265 PolarHBondContact NE-O 2.95Å; R219-Y265 VanDerWaalsContact O-CD1 3.27Å; R219-Y265 WeakPolarHBondContact O-CD1 3.47Å; R219-T267 PolarHBondContact NH1-O 3.42Å; R219-T267 PolarHBondContact NH2-O 3.46Å; R219-G270 VanDerWaalsContact NH1-CA 3.28Å; R219-G270 PolarHBondContact NH2-O 3.38Å; R219-P271 VanDerWaalsContact NH2-CA 3.35Å; R219-P271 VanDerWaalsContact NH2-N 3.19Å |
| 220 | V | 90 | Very high | 91.4 | Very high | 82 Ų | 82 | 59.6 Ų | 59.6 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.4 | -39.2 | 177.2 | -179.9 | 0 | 0 | 0 | 0 | 110.9 | S218 Y222 G223 V224 F266 | S218-V220 PolarHBondContact O-N 2.88Å; V220-Y222 PolarHBondContact O-N 2.99Å; V220-G223 PolarHBondContact O-N 3.31Å; V220-G223 VanDerWaalsContact O-N 3.15Å; V220-V224 HydrophobicContact CG1-CG2 4.35Å; V220-V224 WeakPolarHBondContact O-CG2 3.39Å; V220-V224 PolarHBondContact O-N 2.95Å; V220-F266 HydrophobicContact CG1-CE1 4.4Å |
| 221 | D | 91.6 | Very high | 91.9 | Very high | 83 Ų | 83 | 62.3 Ų | 62.3 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.9 | -58.4 | -40.8 | 0 | 0 | 0 | 111.7 | P217 S218 F225 | P217-D221 HydrophobicContact CB-CB 3.93Å; S218-D221 VanDerWaalsContact CB-OD2 3.31Å; S218-D221 WeakPolarHBondContact CB-OD2 3.47Å; S218-D221 PolarHBondContact N-OD2 3.39Å; S218-D221 WeakPolarHBondContact O-CB 3.33Å; S218-D221 PolarHBondContact O-N 3.39Å; S218-D221 PolarHBondContact OG-N 3.34Å; S218-D221 PolarHBondContact OG-OD2 3.2Å; D221-F225 WeakPolarHBondContact O-CB 3.46Å; D221-F225 PolarHBondContact O-N 3.09Å |
| 222 | Y | 91.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 171.8 | -77.4 | -77.3 | 0 | 0 | 0 | 111.7 | F203 M206 Q216 P217 S218 R219 V220 V224 F225 F226 Y265 | F203-Y222 HydrophobicContact CE2-CE1 4.49Å; M206-Y222 HydrophobicContact CB-CE1 3.92Å; M206-Y222 HydrophobicContact CE-CD1 3.59Å; M206-Y222 HydrophobicContact CE-CE1 3.74Å; M206-Y222 HydrophobicContact CE-CG 4.03Å; M206-Y222 PolarHBondContact O-OH 3.48Å; Q216-Y222 HydrophobicContact CG-CE2 4.16Å; Q216-Y222 PolarHBondContact NE2-OH 3.13Å; P217-Y222 HydrophobicContact CB-CD2 4.17Å; P217-Y222 HydrophobicContact CB-CE2 3.82Å; P217-Y222 HydrophobicContact CG-CE2 4.2Å; P217-Y222 WeakPolarHBondContact O-CE2 3.41Å; S218-Y222 WeakPolarHBondContact O-CD2 3.43Å; S218-Y222 PolarHBondContact O-N 2.96Å; R219-Y222 PolarHBondContact O-N 2.68Å; V220-Y222 PolarHBondContact O-N 2.99Å; Y222-V224 PolarHBondContact O-N 2.91Å; Y222-F225 WeakPolarHBondContact O-CB 3.32Å; Y222-F225 PolarHBondContact O-N 3.43Å; Y222-F226 HydrophobicContact CD1-CE2 4.43Å; Y222-F226 WeakPolarHBondContact O-CD2 3.35Å; Y222-F226 PolarHBondContact O-N 3.39Å; Y222-Y265 HydrophobicContact CG-CE1 4.11Å |
| 223 | G | 92.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R219 V220 F225 F226 V227 | R219-G223 PolarHBondContact O-N 2.67Å; V220-G223 PolarHBondContact O-N 3.31Å; V220-G223 VanDerWaalsContact O-N 3.15Å; G223-F225 VanDerWaalsContact C-N 3.32Å; G223-F225 PolarHBondContact O-N 3.12Å; G223-F226 PolarHBondContact O-N 2.69Å; G223-V227 WeakPolarHBondContact O-CG2 3.43Å; G223-V227 PolarHBondContact O-N 3.12Å |
| 224 | V | 94.9 | Very high | 93.1 | Very high | 86 Ų | 86 | 52.8 Ų | 52.8 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 111.5 | V220 Y222 V227 A228 F266 | V220-V224 HydrophobicContact CG1-CG2 4.35Å; V220-V224 WeakPolarHBondContact O-CG2 3.39Å; V220-V224 PolarHBondContact O-N 2.95Å; Y222-V224 PolarHBondContact O-N 2.91Å; V224-V227 PolarHBondContact O-N 3.03Å; V224-A228 PolarHBondContact O-N 3.37Å; V224-A228 VanDerWaalsContact O-N 3.16Å; V224-F266 HydrophobicContact CG2-CZ 4.29Å |
| 225 | F | 95.5 | Very high | 93.3 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 173.6 | 169.7 | -98.2 | 0 | 0 | 0 | 111.7 | F199 C202 F203 M206 D221 Y222 G223 A228 Y229 | F199-F225 AromaticContact CD2-CE1 3.91Å; F199-F225 HydrophobicContact CD2-CE1 3.91Å; F199-F225 AromaticContact CD2-CZ 3.75Å; F199-F225 HydrophobicContact CD2-CZ 3.75Å; F199-F225 AromaticContact CE2-CE1 3.72Å; F199-F225 HydrophobicContact CE2-CE1 3.72Å; F199-F225 HydrophobicContact CE2-CZ 4.06Å; C202-F225 HydrophobicContact CB-CD2 4.36Å; C202-F225 HydrophobicContact CB-CE2 3.41Å; C202-F225 VanDerWaalsContact CB-CE2 3.41Å; C202-F225 HydrophobicContact CB-CZ 3.88Å; F203-F225 HydrophobicContact CB-CE1 4.14Å; F203-F225 HydrophobicContact CB-CZ 4.16Å; F203-F225 HydrophobicContact CD2-CE1 4.25Å; M206-F225 HydrophobicContact CE-CB 4.36Å; M206-F225 HydrophobicContact SD-CB 4.47Å; M206-F225 HydrophobicContact SD-CD1 4.48Å; M206-F225 HydrophobicContact SD-CD2 4.18Å; M206-F225 HydrophobicContact SD-CG 4.12Å; D221-F225 WeakPolarHBondContact O-CB 3.46Å; D221-F225 PolarHBondContact O-N 3.09Å; Y222-F225 WeakPolarHBondContact O-CB 3.32Å; Y222-F225 PolarHBondContact O-N 3.43Å; G223-F225 VanDerWaalsContact C-N 3.32Å; G223-F225 PolarHBondContact O-N 3.12Å; F225-A228 PolarHBondContact O-N 3.17Å; F225-Y229 HydrophobicContact CD2-CD2 4.34Å; F225-Y229 HydrophobicContact CD2-CE2 4.09Å; F225-Y229 HydrophobicContact CE1-CD2 4.29Å; F225-Y229 HydrophobicContact CE1-CE2 4.43Å; F225-Y229 AromaticContact CE2-CD2 3.92Å; F225-Y229 HydrophobicContact CE2-CD2 3.92Å; F225-Y229 AromaticContact CE2-CE2 3.39Å; F225-Y229 HydrophobicContact CE2-CE2 3.39Å; F225-Y229 AromaticContact CZ-CD2 3.89Å; F225-Y229 HydrophobicContact CZ-CD2 3.89Å; F225-Y229 AromaticContact CZ-CE2 3.59Å; F225-Y229 HydrophobicContact CZ-CE2 3.59Å; F225-Y229 WeakPolarHBondContact O-CD2 3.25Å; F225-Y229 PolarHBondContact O-N 2.5Å |
| 226 | F | 95.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 178.6 | -72.1 | -62.4 | 0 | 0 | 0 | 112.5 | F199 F203 Y222 G223 A228 Y229 T230 L258 T261 D262 Y265 | F199-F226 HydrophobicContact CE2-CD1 4.1Å; F199-F226 AromaticContact CE2-CE1 3.85Å; F199-F226 HydrophobicContact CE2-CE1 3.85Å; F199-F226 AromaticContact CZ-CE1 3.98Å; F199-F226 HydrophobicContact CZ-CE1 3.98Å; F203-F226 HydrophobicContact CD2-CE1 4.43Å; F203-F226 AromaticContact CD2-CZ 3.94Å; F203-F226 HydrophobicContact CD2-CZ 3.94Å; F203-F226 AromaticContact CE2-CZ 3.73Å; F203-F226 HydrophobicContact CE2-CZ 3.73Å; Y222-F226 HydrophobicContact CD1-CE2 4.43Å; Y222-F226 WeakPolarHBondContact O-CD2 3.35Å; Y222-F226 PolarHBondContact O-N 3.39Å; G223-F226 PolarHBondContact O-N 2.69Å; F226-A228 VanDerWaalsContact C-N 3.28Å; F226-A228 PolarHBondContact O-N 3.5Å; F226-Y229 CarbonylContact O-C 3.5Å; F226-Y229 WeakPolarHBondContact O-CA 3.44Å; F226-Y229 WeakPolarHBondContact O-CB 3.23Å; F226-Y229 PolarHBondContact O-N 3.21Å; F226-T230 PolarHBondContact O-N 2.8Å; F226-T230 PolarHBondContact O-OG1 3.27Å; F226-L258 HydrophobicContact CB-CD2 4.45Å; F226-L258 HydrophobicContact CD1-CD2 3.8Å; F226-T261 HydrophobicContact CB-CG2 4.41Å; F226-T261 HydrophobicContact CD1-CG2 4.26Å; F226-T261 HydrophobicContact CD2-CG2 3.82Å; F226-T261 HydrophobicContact CE2-CG2 4.12Å; F226-T261 HydrophobicContact CG-CG2 3.91Å; F226-T261 HydrophobicContact CZ-CG2 4.46Å; F226-D262 VanDerWaalsContact C-OD1 3.29Å; F226-D262 WeakPolarHBondContact CB-OD1 3.41Å; F226-Y265 AromaticContact CD2-CD2 3.84Å; F226-Y265 HydrophobicContact CD2-CD2 3.84Å; F226-Y265 AromaticContact CD2-CE2 3.59Å; F226-Y265 HydrophobicContact CD2-CE2 3.59Å; F226-Y265 HydrophobicContact CE2-CD2 4.17Å; F226-Y265 AromaticContact CE2-CE2 3.43Å; F226-Y265 HydrophobicContact CE2-CE2 3.43Å; F226-Y265 VanDerWaalsContact CE2-CE2 3.43Å; F226-Y265 AromaticContact CE2-CZ 3.73Å; F226-Y265 HydrophobicContact CZ-CE2 4.5Å |
| 227 | V | 96.8 | Very high | 93.7 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 30% | 0.303 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56 | -41.4 | 175.6 | 168.2 | 0 | 0 | 0 | 0 | 112.1 | G223 V224 Y229 T230 I231 D262 F266 | G223-V227 WeakPolarHBondContact O-CG2 3.43Å; G223-V227 PolarHBondContact O-N 3.12Å; V224-V227 PolarHBondContact O-N 3.03Å; V227-Y229 VanDerWaalsContact C-N 3.26Å; V227-Y229 PolarHBondContact O-N 3.3Å; V227-T230 WeakPolarHBondContact O-CB 3.43Å; V227-T230 PolarHBondContact O-N 3.08Å; V227-I231 HydrophobicContact CG1-CD1 4.36Å; V227-I231 WeakPolarHBondContact O-CG1 3.45Å; V227-I231 PolarHBondContact O-N 3.31Å; V227-D262 HydrophobicContact CG2-CB 4.14Å; V227-D262 PolarHBondContact N-OD1 3.29Å; V227-D262 VanDerWaalsContact N-OD1 3.16Å; V227-F266 HydrophobicContact CG2-CE2 3.68Å; V227-F266 HydrophobicContact CG2-CZ 4.36Å |
| 228 | A | 96.8 | Very high | 93.9 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 46% | 0.463 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V224 F225 F226 Y232 | V224-A228 PolarHBondContact O-N 3.37Å; V224-A228 VanDerWaalsContact O-N 3.16Å; F225-A228 PolarHBondContact O-N 3.17Å; F226-A228 VanDerWaalsContact C-N 3.28Å; F226-A228 PolarHBondContact O-N 3.5Å; A228-Y232 PolarHBondContact O-N 3.02Å |
| 229 | Y | 95.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 47 Ų | 47 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.8 | -30.3 | 175.2 | -81.6 | -80.5 | 0 | 0 | 0 | 113.3 | M195 L198 F199 F225 F226 V227 I231 Y232 F233 | M195-Y229 HydrophobicContact CE-CE1 3.99Å; M195-Y229 WeakPolarHBondContact O-CE1 3Å; L198-Y229 VanDerWaalsContact C-OH 3.28Å; L198-Y229 WeakPolarHBondContact CG-OH 3.36Å; F199-Y229 VanDerWaalsContact CA-CZ 3.46Å; F199-Y229 VanDerWaalsContact CA-OH 3.22Å; F199-Y229 WeakPolarHBondContact CA-OH 2.96Å; F199-Y229 HydrophobicContact CB-CD1 4.01Å; F199-Y229 HydrophobicContact CB-CE1 3.46Å; F199-Y229 VanDerWaalsContact CB-CE1 3.46Å; F199-Y229 HydrophobicContact CB-CE2 4.3Å; F199-Y229 AromaticContact CD2-CD1 3.79Å; F199-Y229 HydrophobicContact CD2-CD1 3.79Å; F199-Y229 AromaticContact CD2-CD2 3.69Å; F199-Y229 HydrophobicContact CD2-CD2 3.69Å; F199-Y229 AromaticContact CD2-CE1 4Å; F199-Y229 HydrophobicContact CD2-CE1 4Å; F199-Y229 AromaticContact CD2-CE2 3.9Å; F199-Y229 HydrophobicContact CD2-CE2 3.9Å; F199-Y229 AromaticContact CD2-CG 3.63Å; F199-Y229 HydrophobicContact CD2-CG 3.63Å; F199-Y229 HydrophobicContact CE2-CD2 4.39Å; F199-Y229 HydrophobicContact CE2-CG 4.31Å; F199-Y229 HydrophobicContact CG-CD1 4.27Å; F199-Y229 HydrophobicContact CG-CE1 4.18Å; F199-Y229 PolarHBondContact N-OH 3.45Å; F225-Y229 HydrophobicContact CD2-CD2 4.34Å; F225-Y229 HydrophobicContact CD2-CE2 4.09Å; F225-Y229 HydrophobicContact CE1-CD2 4.29Å; F225-Y229 HydrophobicContact CE1-CE2 4.43Å; F225-Y229 AromaticContact CE2-CD2 3.92Å; F225-Y229 HydrophobicContact CE2-CD2 3.92Å; F225-Y229 AromaticContact CE2-CE2 3.39Å; F225-Y229 HydrophobicContact CE2-CE2 3.39Å; F225-Y229 AromaticContact CZ-CD2 3.89Å; F225-Y229 HydrophobicContact CZ-CD2 3.89Å; F225-Y229 AromaticContact CZ-CE2 3.59Å; F225-Y229 HydrophobicContact CZ-CE2 3.59Å; F225-Y229 WeakPolarHBondContact O-CD2 3.25Å; F225-Y229 PolarHBondContact O-N 2.5Å; F226-Y229 CarbonylContact O-C 3.5Å; F226-Y229 WeakPolarHBondContact O-CA 3.44Å; F226-Y229 WeakPolarHBondContact O-CB 3.23Å; F226-Y229 PolarHBondContact O-N 3.21Å; V227-Y229 VanDerWaalsContact C-N 3.26Å; V227-Y229 PolarHBondContact O-N 3.3Å; Y229-I231 VanDerWaalsContact C-N 3.34Å; Y229-Y232 HydrophobicContact CD1-CD1 4.27Å; Y229-Y232 WeakPolarHBondContact O-CB 3.49Å; Y229-Y232 PolarHBondContact O-N 3.32Å; Y229-F233 WeakPolarHBondContact O-CD2 3.41Å; Y229-F233 PolarHBondContact O-N 2.87Å |
| 230 | T | 97.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 171.4 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | F226 V227 Y232 F233 V234 L255 L258 L259 D262 | F226-T230 PolarHBondContact O-N 2.8Å; F226-T230 PolarHBondContact O-OG1 3.27Å; V227-T230 WeakPolarHBondContact O-CB 3.43Å; V227-T230 PolarHBondContact O-N 3.08Å; T230-Y232 VanDerWaalsContact C-N 3.33Å; T230-Y232 PolarHBondContact O-N 3.35Å; T230-F233 PolarHBondContact O-N 3.04Å; T230-F233 VanDerWaalsContact O-N 3.09Å; T230-V234 WeakPolarHBondContact O-CG2 3.24Å; T230-V234 PolarHBondContact O-N 3.34Å; T230-L255 HydrophobicContact CG2-CD1 3.89Å; T230-L258 WeakPolarHBondContact OG1-CB 3.16Å; T230-L259 HydrophobicContact CG2-CD2 3.67Å; T230-L259 HydrophobicContact CG2-CG 3.96Å; T230-D262 VanDerWaalsContact CB-OD2 3.3Å; T230-D262 WeakPolarHBondContact CB-OD2 3.47Å; T230-D262 PolarHBondContact OG1-OD2 3.4Å |
| 231 | I | 97.5 | Very high | 93.7 | Very high | 103 Ų | 103 | 40.2 Ų | 40.2 | 53% | 0.528 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 175.9 | -64.7 | 166.5 | 0 | 0 | 0 | 110.8 | V227 Y229 F233 V234 I235 | V227-I231 HydrophobicContact CG1-CD1 4.36Å; V227-I231 WeakPolarHBondContact O-CG1 3.45Å; V227-I231 PolarHBondContact O-N 3.31Å; Y229-I231 VanDerWaalsContact C-N 3.34Å; I231-F233 VanDerWaalsContact C-N 3.31Å; I231-F233 PolarHBondContact O-N 3.38Å; I231-V234 WeakPolarHBondContact O-CB 3.47Å; I231-V234 PolarHBondContact O-N 3.37Å; I231-I235 HydrophobicContact CG2-CD1 4.48Å; I231-I235 PolarHBondContact O-N 3.05Å |
| 232 | Y | 95.9 | Very high | 93.3 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 174.7 | 164.8 | -99.9 | 0 | 0 | 0 | 111.9 | N192 M195 F196 A228 Y229 T230 V234 I235 Y236 | N192-Y232 WeakPolarHBondContact CA-OH 3.44Å; N192-Y232 PolarHBondContact OD1-OH 2.69Å; M195-Y232 HydrophobicContact CB-CD2 4.3Å; M195-Y232 HydrophobicContact CB-CE1 4.05Å; M195-Y232 HydrophobicContact CB-CE2 3.69Å; M195-Y232 HydrophobicContact CE-CD2 3.82Å; M195-Y232 HydrophobicContact CE-CE2 4.35Å; M195-Y232 HydrophobicContact CE-CG 3.93Å; M195-Y232 HydrophobicContact CG-CD2 4.01Å; M195-Y232 HydrophobicContact CG-CE2 3.59Å; F196-Y232 HydrophobicContact CD1-CE1 4.28Å; F196-Y232 AromaticContact CE1-CE1 3.83Å; F196-Y232 HydrophobicContact CE1-CE1 3.83Å; A228-Y232 PolarHBondContact O-N 3.02Å; Y229-Y232 HydrophobicContact CD1-CD1 4.27Å; Y229-Y232 WeakPolarHBondContact O-CB 3.49Å; Y229-Y232 PolarHBondContact O-N 3.32Å; T230-Y232 VanDerWaalsContact C-N 3.33Å; T230-Y232 PolarHBondContact O-N 3.35Å; Y232-V234 VanDerWaalsContact C-N 3.35Å; Y232-V234 PolarHBondContact O-N 2.97Å; Y232-I235 PolarHBondContact O-N 3.46Å; Y232-Y236 WeakPolarHBondContact O-CB 3.27Å; Y232-Y236 PolarHBondContact O-N 2.89Å |
| 233 | F | 95.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.3 | -26 | 179.3 | -91.9 | -78.9 | 0 | 0 | 0 | 113.9 | F196 Y229 T230 I231 Y236 T237 F250 M254 L255 L258 | F196-F233 HydrophobicContact CD1-CZ 4.25Å; F196-F233 HydrophobicContact CE1-CE1 4.03Å; F196-F233 HydrophobicContact CE1-CE2 4.2Å; F196-F233 AromaticContact CE1-CZ 3.47Å; F196-F233 HydrophobicContact CE1-CZ 3.47Å; F196-F233 VanDerWaalsContact CE1-CZ 3.47Å; F196-F233 HydrophobicContact CZ-CE1 4.5Å; F196-F233 HydrophobicContact CZ-CZ 4.31Å; Y229-F233 WeakPolarHBondContact O-CD2 3.41Å; Y229-F233 PolarHBondContact O-N 2.87Å; T230-F233 PolarHBondContact O-N 3.04Å; T230-F233 VanDerWaalsContact O-N 3.09Å; I231-F233 VanDerWaalsContact C-N 3.31Å; I231-F233 PolarHBondContact O-N 3.38Å; F233-Y236 HydrophobicContact CD1-CD1 4.15Å; F233-Y236 HydrophobicContact CD1-CG 4.41Å; F233-Y236 HydrophobicContact CE1-CD1 4.29Å; F233-T237 VanDerWaalsContact O-CB 3.25Å; F233-T237 WeakPolarHBondContact O-CB 3.48Å; F233-T237 PolarHBondContact O-N 3.38Å; F233-T237 PolarHBondContact O-OG1 3.39Å; F233-F250 HydrophobicContact CE1-CE1 4.26Å; F233-M254 HydrophobicContact CD1-CB 3.42Å; F233-M254 VanDerWaalsContact CD1-CB 3.42Å; F233-M254 HydrophobicContact CD1-CG 4.18Å; F233-M254 HydrophobicContact CE1-CB 3.28Å; F233-M254 HydrophobicContact CE1-CE 4.13Å; F233-M254 HydrophobicContact CE1-CG 3.51Å; F233-M254 HydrophobicContact CE2-CB 4.38Å; F233-M254 HydrophobicContact CE2-CE 3.67Å; F233-M254 HydrophobicContact CG-CB 4.05Å; F233-M254 HydrophobicContact CZ-CB 3.78Å; F233-M254 HydrophobicContact CZ-CE 3.38Å; F233-M254 HydrophobicContact CZ-CG 3.78Å; F233-M254 HydrophobicContact CZ-SD 4.41Å; F233-L255 HydrophobicContact CB-CB 4.39Å; F233-L255 HydrophobicContact CB-CD1 4.42Å; F233-L258 HydrophobicContact CB-CD1 4.1Å; F233-L258 HydrophobicContact CD2-CD1 3.26Å; F233-L258 HydrophobicContact CE2-CD1 3.88Å; F233-L258 HydrophobicContact CG-CD1 3.89Å |
| 234 | V | 97.4 | Very high | 92.4 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 42% | 0.418 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.5 | -51.6 | 166.7 | 173 | 0 | 0 | 0 | 0 | 109.6 | T230 I231 Y232 T237 V238 L255 | T230-V234 WeakPolarHBondContact O-CG2 3.24Å; T230-V234 PolarHBondContact O-N 3.34Å; I231-V234 WeakPolarHBondContact O-CB 3.47Å; I231-V234 PolarHBondContact O-N 3.37Å; Y232-V234 VanDerWaalsContact C-N 3.35Å; Y232-V234 PolarHBondContact O-N 2.97Å; V234-T237 PolarHBondContact O-N 3.37Å; V234-V238 WeakPolarHBondContact O-CG2 3.26Å; V234-V238 PolarHBondContact O-N 3.33Å; V234-V238 VanDerWaalsContact O-N 3.13Å; V234-L255 HydrophobicContact CG2-CD1 3.5Å; V234-L255 HydrophobicContact CG2-CD2 4.12Å; V234-L255 HydrophobicContact CG2-CG 4.48Å |
| 235 | I | 95.2 | Very high | 92 | Very high | 112 Ų | 112 | 38.5 Ų | 38.5 | 57% | 0.574 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.8 | -46.3 | 179.8 | -60.7 | 168.3 | 0 | 0 | 0 | 110.6 | I231 Y232 T237 V238 S239 | I231-I235 HydrophobicContact CG2-CD1 4.48Å; I231-I235 PolarHBondContact O-N 3.05Å; Y232-I235 PolarHBondContact O-N 3.46Å; I235-T237 PolarHBondContact O-N 3.29Å; I235-V238 PolarHBondContact O-N 2.91Å; I235-S239 WeakPolarHBondContact O-CB 3.45Å; I235-S239 PolarHBondContact O-N 3.18Å; I235-S239 PolarHBondContact O-OG 2.91Å |
| 236 | Y | 92.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.4 | -51.4 | 177.7 | 179.8 | -85.6 | 0 | 0 | 0 | 110.7 | N192 F196 Y232 F233 V238 S239 T240 Q247 F250 | N192-Y236 HydrophobicContact CB-CE2 4.35Å; N192-Y236 WeakPolarHBondContact ND2-CE2 3.46Å; F196-Y236 HydrophobicContact CZ-CD2 4.32Å; F196-Y236 AromaticContact CZ-CE2 3.85Å; F196-Y236 HydrophobicContact CZ-CE2 3.85Å; Y232-Y236 WeakPolarHBondContact O-CB 3.27Å; Y232-Y236 PolarHBondContact O-N 2.89Å; F233-Y236 HydrophobicContact CD1-CD1 4.15Å; F233-Y236 HydrophobicContact CD1-CG 4.41Å; F233-Y236 HydrophobicContact CE1-CD1 4.29Å; Y236-V238 PolarHBondContact O-N 2.85Å; Y236-S239 WeakPolarHBondContact CA-OG 3.43Å; Y236-S239 PolarHBondContact O-N 3.49Å; Y236-S239 VanDerWaalsContact O-N 3.09Å; Y236-S239 PolarHBondContact O-OG 3.36Å; Y236-T240 HydrophobicContact CD1-CG2 4.04Å; Y236-T240 HydrophobicContact CE1-CG2 3.63Å; Y236-T240 HydrophobicContact CE2-CG2 4.18Å; Y236-T240 HydrophobicContact CG-CG2 4.45Å; Y236-T240 WeakPolarHBondContact O-CG2 3.46Å; Y236-T240 PolarHBondContact O-N 3.47Å; Y236-T240 PolarHBondContact O-OG1 2.73Å; Y236-Q247 PolarHBondContact OH-NE2 3.07Å; Y236-F250 AromaticContact CE1-CD1 3.79Å; Y236-F250 HydrophobicContact CE1-CD1 3.79Å; Y236-F250 AromaticContact CE1-CE1 3.94Å; Y236-F250 HydrophobicContact CE1-CE1 3.94Å |
| 237 | T | 92.7 | Very high | 91.4 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.3 | -48.1 | -177 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | F233 V234 I235 S239 T240 A241 F248 G251 L252 | F233-T237 VanDerWaalsContact O-CB 3.25Å; F233-T237 WeakPolarHBondContact O-CB 3.48Å; F233-T237 PolarHBondContact O-N 3.38Å; F233-T237 PolarHBondContact O-OG1 3.39Å; V234-T237 PolarHBondContact O-N 3.37Å; I235-T237 PolarHBondContact O-N 3.29Å; T237-S239 VanDerWaalsContact C-N 3.33Å; T237-S239 PolarHBondContact O-N 3.26Å; T237-T240 PolarHBondContact O-N 2.86Å; T237-T240 VanDerWaalsContact O-N 3.16Å; T237-T240 PolarHBondContact O-OG1 3.16Å; T237-A241 PolarHBondContact O-N 3.24Å; T237-F248 HydrophobicContact CG2-CD2 3.85Å; T237-F248 HydrophobicContact CG2-CE2 3.58Å; T237-F248 HydrophobicContact CG2-CZ 4.16Å; T237-F248 WeakPolarHBondContact O-CD2 3.46Å; T237-G251 WeakPolarHBondContact OG1-CA 3.49Å; T237-G251 PolarHBondContact OG1-O 2.89Å; T237-G251 VanDerWaalsContact OG1-O 3.12Å; T237-L252 HydrophobicContact CG2-CB 4.22Å |
| 238 | V | 91.8 | Very high | 91.2 | Very high | 105 Ų | 105 | 37.1 Ų | 37.1 | 64% | 0.636 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.7 | -43.5 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | V234 I235 Y236 T240 A241 | V234-V238 WeakPolarHBondContact O-CG2 3.26Å; V234-V238 PolarHBondContact O-N 3.33Å; V234-V238 VanDerWaalsContact O-N 3.13Å; I235-V238 PolarHBondContact O-N 2.91Å; Y236-V238 PolarHBondContact O-N 2.85Å; V238-T240 PolarHBondContact O-N 3.4Å; V238-A241 WeakPolarHBondContact O-CB 3.34Å; V238-A241 PolarHBondContact O-N 3.38Å |
| 239 | S | 88.3 | Confident | 91.1 | Very high | 44 Ų | 44 | 39 Ų | 39 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.6 | -24.3 | 179.8 | 76 | 0 | 0 | 0 | 0 | 113.9 | I235 Y236 T237 P242 | I235-S239 WeakPolarHBondContact O-CB 3.45Å; I235-S239 PolarHBondContact O-N 3.18Å; I235-S239 PolarHBondContact O-OG 2.91Å; Y236-S239 WeakPolarHBondContact CA-OG 3.43Å; Y236-S239 PolarHBondContact O-N 3.49Å; Y236-S239 VanDerWaalsContact O-N 3.09Å; Y236-S239 PolarHBondContact O-OG 3.36Å; T237-S239 VanDerWaalsContact C-N 3.33Å; T237-S239 PolarHBondContact O-N 3.26Å; S239-P242 WeakPolarHBondContact O-CD 3.41Å |
| 240 | T | 87.4 | Confident | 91 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -93.3 | -12.9 | -178.2 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | Y236 T237 V238 M243 Q247 | Y236-T240 HydrophobicContact CD1-CG2 4.04Å; Y236-T240 HydrophobicContact CE1-CG2 3.63Å; Y236-T240 HydrophobicContact CE2-CG2 4.18Å; Y236-T240 HydrophobicContact CG-CG2 4.45Å; Y236-T240 WeakPolarHBondContact O-CG2 3.46Å; Y236-T240 PolarHBondContact O-N 3.47Å; Y236-T240 PolarHBondContact O-OG1 2.73Å; T237-T240 PolarHBondContact O-N 2.86Å; T237-T240 VanDerWaalsContact O-N 3.16Å; T237-T240 PolarHBondContact O-OG1 3.16Å; V238-T240 PolarHBondContact O-N 3.4Å; T240-M243 HydrophobicContact CG2-SD 4.33Å; T240-M243 WeakPolarHBondContact O-CB 3.49Å; T240-M243 PolarHBondContact O-N 3.34Å; T240-Q247 HydrophobicContact CG2-CG 3.83Å |
| 241 | A | 85.8 | Confident | 90.8 | Very high | 17 Ų | 17 | 38 Ų | 38 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T237 V238 M243 F248 L314 | T237-A241 PolarHBondContact O-N 3.24Å; V238-A241 WeakPolarHBondContact O-CB 3.34Å; V238-A241 PolarHBondContact O-N 3.38Å; A241-M243 VanDerWaalsContact C-N 3.29Å; A241-M243 PolarHBondContact O-N 2.93Å; A241-F248 HydrophobicContact CB-CD2 3.72Å; A241-F248 HydrophobicContact CB-CE2 3.97Å; A241-L314 PolarHBondContact O-N 3.2Å |
| 242 | P | 82.6 | Confident | 90.8 | Very high | 66 Ų | 66 | 35.6 Ų | 35.6 | 43% | 0.429 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -11.6 | 175.5 | 27.3 | -34.8 | 0 | 0 | 0 | 114.6 | S239 S313 I315 | S239-P242 WeakPolarHBondContact O-CD 3.41Å; P242-S313 WeakPolarHBondContact CA-OG 3.39Å; P242-S313 WeakPolarHBondContact O-CB 3.37Å; P242-S313 PolarHBondContact O-OG 2.88Å; P242-I315 HydrophobicContact CB-CD1 3.8Å; P242-I315 HydrophobicContact CG-CD1 4.44Å |
| 243 | M | 81.9 | Confident | 90.8 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 22% | 0.217 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -70.9 | -170.2 | -64.3 | -173.7 | 175.5 | 0 | 0 | 111.6 | H133 T188 T240 A241 | H133-M243 HydrophobicContact CB-SD 4.47Å; T188-M243 HydrophobicContact CG2-CE 4.31Å; T240-M243 HydrophobicContact CG2-SD 4.33Å; T240-M243 WeakPolarHBondContact O-CB 3.49Å; T240-M243 PolarHBondContact O-N 3.34Å; A241-M243 VanDerWaalsContact C-N 3.29Å; A241-M243 PolarHBondContact O-N 2.93Å |
| 244 | N | 82.1 | Confident | 90.8 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | trans | -154.2 | 141.6 | -179 | -66.6 | -68.8 | 0 | 0 | 0 | 109.3 | V246 Q247 F248 L310 | N244-V246 VanDerWaalsContact C-N 3.33Å; N244-V246 PolarHBondContact O-N 3.43Å; N244-Q247 HydrophobicContact CB-CB 4.35Å; N244-Q247 PolarHBondContact O-N 2.96Å; N244-Q247 VanDerWaalsContact O-N 3.16Å; N244-F248 PolarHBondContact O-N 3.05Å; N244-L310 HydrophobicContact CB-CB 4.29Å | ||
| 245 | T | 87 | Confident | 90.8 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 17% | 0.172 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.4 | -43.6 | -179.5 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | Q247 F248 F249 R312 L314 | T245-Q247 PolarHBondContact O-N 3.3Å; T245-F248 WeakPolarHBondContact O-CB 3.25Å; T245-F248 PolarHBondContact O-N 3.32Å; T245-F249 HydrophobicContact CG2-CD2 3.53Å; T245-F249 HydrophobicContact CG2-CE2 3.4Å; T245-F249 VanDerWaalsContact CG2-CE2 3.4Å; T245-F249 VanDerWaalsContact O-CD2 3.25Å; T245-F249 WeakPolarHBondContact O-CD2 3.41Å; T245-F249 PolarHBondContact O-N 3.17Å; T245-R312 WeakPolarHBondContact CB-O 3.5Å; T245-R312 PolarHBondContact N-O 2.74Å; T245-R312 VanDerWaalsContact N-O 3.15Å; T245-R312 PolarHBondContact OG1-O 3.16Å; T245-L314 HydrophobicContact CG2-CD2 4.11Å; T245-L314 HydrophobicContact CG2-CG 4.46Å |
| 246 | V | 90.2 | Very high | 90.9 | Very high | 20 Ų | 20 | 30 Ų | 30 | 12% | 0.121 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 179.6 | 173 | 0 | 0 | 0 | 0 | 112 | N244 F248 F249 F250 L289 Y292 M293 L310 | N244-V246 VanDerWaalsContact C-N 3.33Å; N244-V246 PolarHBondContact O-N 3.43Å; V246-F248 VanDerWaalsContact C-N 3.33Å; V246-F249 PolarHBondContact O-N 2.98Å; V246-F250 WeakPolarHBondContact O-CB 3.42Å; V246-F250 PolarHBondContact O-N 3.4Å; V246-L289 HydrophobicContact CG1-CD2 4.24Å; V246-Y292 HydrophobicContact CG1-CD1 3.95Å; V246-Y292 HydrophobicContact CG1-CE1 4.45Å; V246-Y292 HydrophobicContact CG2-CD1 4.3Å; V246-Y292 HydrophobicContact CG2-CE1 4Å; V246-M293 HydrophobicContact CB-CG 4.42Å; V246-M293 HydrophobicContact CG1-CG 3.5Å; V246-M293 HydrophobicContact CG1-SD 4.01Å; V246-L310 HydrophobicContact CB-CD2 4.41Å; V246-L310 VanDerWaalsContact CG2-O 3.28Å; V246-L310 WeakPolarHBondContact CG2-O 3.48Å; V246-L310 PolarHBondContact N-O 3.32Å; V246-L310 VanDerWaalsContact N-O 3.17Å |
| 247 | Q | 89.2 | Confident | 91.1 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.9 | -35.1 | 179.5 | -169.3 | 175.5 | -20.5 | 0 | 0 | 111.6 | Y236 T240 N244 T245 F250 G251 M293 | Y236-Q247 PolarHBondContact OH-NE2 3.07Å; T240-Q247 HydrophobicContact CG2-CG 3.83Å; N244-Q247 HydrophobicContact CB-CB 4.35Å; N244-Q247 PolarHBondContact O-N 2.96Å; N244-Q247 VanDerWaalsContact O-N 3.16Å; T245-Q247 PolarHBondContact O-N 3.3Å; Q247-F250 WeakPolarHBondContact O-CB 3.29Å; Q247-F250 PolarHBondContact O-N 2.97Å; Q247-G251 PolarHBondContact O-N 3.4Å; Q247-M293 HydrophobicContact CB-SD 3.9Å; Q247-M293 HydrophobicContact CG-SD 4.24Å |
| 248 | F | 92 | Very high | 91.3 | Very high | 41 Ų | 41 | 29.6 Ų | 29.6 | 18% | 0.18 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 170.7 | 175.3 | -93.2 | 0 | 0 | 0 | 111.9 | T237 A241 N244 T245 V246 F250 G251 L252 L314 | T237-F248 HydrophobicContact CG2-CD2 3.85Å; T237-F248 HydrophobicContact CG2-CE2 3.58Å; T237-F248 HydrophobicContact CG2-CZ 4.16Å; T237-F248 WeakPolarHBondContact O-CD2 3.46Å; A241-F248 HydrophobicContact CB-CD2 3.72Å; A241-F248 HydrophobicContact CB-CE2 3.97Å; N244-F248 PolarHBondContact O-N 3.05Å; T245-F248 WeakPolarHBondContact O-CB 3.25Å; T245-F248 PolarHBondContact O-N 3.32Å; V246-F248 VanDerWaalsContact C-N 3.33Å; F248-F250 VanDerWaalsContact C-N 3.26Å; F248-F250 PolarHBondContact O-N 3.06Å; F248-G251 CarbonylContact O-C 3.55Å; F248-G251 WeakPolarHBondContact O-CA 3.47Å; F248-G251 PolarHBondContact O-N 3.45Å; F248-G251 VanDerWaalsContact O-N 3.08Å; F248-L252 HydrophobicContact CE1-CB 4.49Å; F248-L252 HydrophobicContact CE1-CD2 4.07Å; F248-L252 WeakPolarHBondContact O-CB 3.33Å; F248-L252 PolarHBondContact O-N 3.37Å; F248-L314 HydrophobicContact CB-CD1 3.98Å; F248-L314 HydrophobicContact CD1-CD1 3.08Å; F248-L314 HydrophobicContact CD1-CG 4.44Å; F248-L314 HydrophobicContact CD2-CD1 4.04Å; F248-L314 HydrophobicContact CE1-CD1 3.37Å; F248-L314 HydrophobicContact CE2-CD1 4.28Å; F248-L314 HydrophobicContact CG-CD1 3.42Å; F248-L314 VanDerWaalsContact CG-CD1 3.42Å; F248-L314 HydrophobicContact CZ-CD1 3.97Å |
| 249 | F | 94 | Very high | 91.5 | Very high | 96 Ų | 96 | 28.3 Ų | 28.3 | 42% | 0.421 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.5 | -29.9 | 177.9 | -81.2 | -64.7 | 0 | 0 | 0 | 113 | T245 V246 L252 S253 L289 | T245-F249 HydrophobicContact CG2-CD2 3.53Å; T245-F249 HydrophobicContact CG2-CE2 3.4Å; T245-F249 VanDerWaalsContact CG2-CE2 3.4Å; T245-F249 VanDerWaalsContact O-CD2 3.25Å; T245-F249 WeakPolarHBondContact O-CD2 3.41Å; T245-F249 PolarHBondContact O-N 3.17Å; V246-F249 PolarHBondContact O-N 2.98Å; F249-L252 HydrophobicContact CD1-CD2 4.08Å; F249-L252 HydrophobicContact CE1-CD2 4.22Å; F249-S253 VanDerWaalsContact O-CB 3.26Å; F249-S253 WeakPolarHBondContact O-CB 3.28Å; F249-S253 PolarHBondContact O-N 3.5Å; F249-S253 PolarHBondContact O-OG 2.66Å; F249-L289 HydrophobicContact CB-CD1 3.96Å |
| 250 | F | 94.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -51.5 | 168.4 | 165 | -93.3 | 0 | 0 | 0 | 110.7 | H142 L146 F196 F233 Y236 V246 Q247 F248 L252 S253 M254 A286 L289 M293 | H142-F250 AromaticContact CD2-CE2 3.96Å; H142-F250 AromaticContact CD2-CZ 3.63Å; H142-F250 AromaticContact NE2-CZ 3.81Å; L146-F250 HydrophobicContact CD1-CE2 4.46Å; F196-F250 HydrophobicContact CZ-CE1 4.16Å; F196-F250 HydrophobicContact CZ-CZ 4.47Å; F233-F250 HydrophobicContact CE1-CE1 4.26Å; Y236-F250 AromaticContact CE1-CD1 3.79Å; Y236-F250 HydrophobicContact CE1-CD1 3.79Å; Y236-F250 AromaticContact CE1-CE1 3.94Å; Y236-F250 HydrophobicContact CE1-CE1 3.94Å; V246-F250 WeakPolarHBondContact O-CB 3.42Å; V246-F250 PolarHBondContact O-N 3.4Å; Q247-F250 WeakPolarHBondContact O-CB 3.29Å; Q247-F250 PolarHBondContact O-N 2.97Å; F248-F250 VanDerWaalsContact C-N 3.26Å; F248-F250 PolarHBondContact O-N 3.06Å; F250-L252 PolarHBondContact O-N 2.95Å; F250-S253 PolarHBondContact O-N 3.4Å; F250-M254 HydrophobicContact CE1-CG 4.3Å; F250-M254 HydrophobicContact CE2-CG 4.07Å; F250-M254 HydrophobicContact CZ-CG 3.93Å; F250-M254 WeakPolarHBondContact O-CG 3.34Å; F250-M254 PolarHBondContact O-N 3.14Å; F250-A286 HydrophobicContact CD2-CB 4.16Å; F250-A286 VanDerWaalsContact CD2-O 3.27Å; F250-A286 WeakPolarHBondContact CD2-O 3.37Å; F250-A286 HydrophobicContact CE2-CB 4.26Å; F250-L289 HydrophobicContact CB-CB 4.22Å; F250-L289 HydrophobicContact CB-CD1 4.44Å; F250-M293 HydrophobicContact CB-CE 3.78Å; F250-M293 HydrophobicContact CD1-CE 4.43Å; F250-M293 HydrophobicContact CD2-CE 4.19Å; F250-M293 HydrophobicContact CG-CE 3.86Å |
| 251 | G | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T237 Q247 F248 S253 M254 L255 | T237-G251 WeakPolarHBondContact OG1-CA 3.49Å; T237-G251 PolarHBondContact OG1-O 2.89Å; T237-G251 VanDerWaalsContact OG1-O 3.12Å; Q247-G251 PolarHBondContact O-N 3.4Å; F248-G251 CarbonylContact O-C 3.55Å; F248-G251 WeakPolarHBondContact O-CA 3.47Å; F248-G251 PolarHBondContact O-N 3.45Å; F248-G251 VanDerWaalsContact O-N 3.08Å; G251-S253 PolarHBondContact O-N 3.29Å; G251-M254 PolarHBondContact O-N 3.08Å; G251-L255 WeakPolarHBondContact O-CB 3.47Å; G251-L255 PolarHBondContact O-N 3.19Å |
| 252 | L | 96.3 | Very high | 92.6 | Very high | 52 Ų | 52 | 28.5 Ų | 28.5 | 27% | 0.272 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.2 | -43 | 178.5 | -174.5 | 62.5 | 0 | 0 | 0 | 112.1 | T237 F248 F249 F250 L255 L256 | T237-L252 HydrophobicContact CG2-CB 4.22Å; F248-L252 HydrophobicContact CE1-CB 4.49Å; F248-L252 HydrophobicContact CE1-CD2 4.07Å; F248-L252 WeakPolarHBondContact O-CB 3.33Å; F248-L252 PolarHBondContact O-N 3.37Å; F249-L252 HydrophobicContact CD1-CD2 4.08Å; F249-L252 HydrophobicContact CE1-CD2 4.22Å; F250-L252 PolarHBondContact O-N 2.95Å; L252-L255 PolarHBondContact O-N 3.45Å; L252-L256 HydrophobicContact CG-CD1 4.42Å; L252-L256 WeakPolarHBondContact O-CG 3.38Å; L252-L256 PolarHBondContact O-N 2.97Å |
| 253 | S | 96.6 | Very high | 93 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 9% | 0.091 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | F249 F250 G251 G257 | F249-S253 VanDerWaalsContact O-CB 3.26Å; F249-S253 WeakPolarHBondContact O-CB 3.28Å; F249-S253 PolarHBondContact O-N 3.5Å; F249-S253 PolarHBondContact O-OG 2.66Å; F250-S253 PolarHBondContact O-N 3.4Å; G251-S253 PolarHBondContact O-N 3.29Å; S253-G257 PolarHBondContact O-N 3.27Å |
| 254 | M | 95.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 173.2 | -75.9 | -62.1 | -67.9 | 0 | 0 | 112.1 | L146 F233 F250 G251 G257 L258 F283 A286 | L146-M254 HydrophobicContact CD1-CE 4.49Å; L146-M254 HydrophobicContact CD1-SD 3.67Å; L146-M254 HydrophobicContact CD2-CE 4.07Å; L146-M254 HydrophobicContact CD2-SD 3.98Å; L146-M254 HydrophobicContact CG-SD 4.48Å; F233-M254 HydrophobicContact CD1-CB 3.42Å; F233-M254 VanDerWaalsContact CD1-CB 3.42Å; F233-M254 HydrophobicContact CD1-CG 4.18Å; F233-M254 HydrophobicContact CE1-CB 3.28Å; F233-M254 HydrophobicContact CE1-CE 4.13Å; F233-M254 HydrophobicContact CE1-CG 3.51Å; F233-M254 HydrophobicContact CE2-CB 4.38Å; F233-M254 HydrophobicContact CE2-CE 3.67Å; F233-M254 HydrophobicContact CG-CB 4.05Å; F233-M254 HydrophobicContact CZ-CB 3.78Å; F233-M254 HydrophobicContact CZ-CE 3.38Å; F233-M254 HydrophobicContact CZ-CG 3.78Å; F233-M254 HydrophobicContact CZ-SD 4.41Å; F250-M254 HydrophobicContact CE1-CG 4.3Å; F250-M254 HydrophobicContact CE2-CG 4.07Å; F250-M254 HydrophobicContact CZ-CG 3.93Å; F250-M254 WeakPolarHBondContact O-CG 3.34Å; F250-M254 PolarHBondContact O-N 3.14Å; G251-M254 PolarHBondContact O-N 3.08Å; M254-G257 PolarHBondContact O-N 3.2Å; M254-L258 WeakPolarHBondContact O-CB 3.26Å; M254-L258 WeakPolarHBondContact O-CG 3.23Å; M254-L258 PolarHBondContact O-N 3.18Å; M254-F283 HydrophobicContact CE-CD1 4.17Å; M254-F283 HydrophobicContact CE-CE1 4.01Å; M254-F283 HydrophobicContact SD-CD1 3.62Å; M254-F283 HydrophobicContact SD-CE1 3.97Å; M254-A286 HydrophobicContact CG-CB 3.76Å; M254-A286 HydrophobicContact SD-CB 3.66Å |
| 255 | L | 97.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 30 Ų | 30 | 12% | 0.115 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 178.6 | 176.8 | 60.3 | 0 | 0 | 0 | 111.5 | T230 F233 V234 G251 L252 L258 L259 | T230-L255 HydrophobicContact CG2-CD1 3.89Å; F233-L255 HydrophobicContact CB-CB 4.39Å; F233-L255 HydrophobicContact CB-CD1 4.42Å; V234-L255 HydrophobicContact CG2-CD1 3.5Å; V234-L255 HydrophobicContact CG2-CD2 4.12Å; V234-L255 HydrophobicContact CG2-CG 4.48Å; G251-L255 WeakPolarHBondContact O-CB 3.47Å; G251-L255 PolarHBondContact O-N 3.19Å; L252-L255 PolarHBondContact O-N 3.45Å; L255-L258 PolarHBondContact O-N 2.8Å; L255-L259 HydrophobicContact CD1-CD1 4.19Å; L255-L259 HydrophobicContact CD1-CG 4.24Å; L255-L259 HydrophobicContact CG-CD1 4.1Å; L255-L259 WeakPolarHBondContact O-CB 3.37Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 3.15Å |
| 256 | L | 97.5 | Very high | 93.9 | Very high | 59 Ų | 59 | 33.3 Ų | 33.3 | 31% | 0.309 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 176.4 | -69.4 | 176.7 | 0 | 0 | 0 | 110.9 | L252 L258 L259 L260 Y282 | L252-L256 HydrophobicContact CG-CD1 4.42Å; L252-L256 WeakPolarHBondContact O-CG 3.38Å; L252-L256 PolarHBondContact O-N 2.97Å; L256-L258 VanDerWaalsContact C-N 3.29Å; L256-L258 PolarHBondContact O-N 2.7Å; L256-L259 PolarHBondContact O-N 3.16Å; L256-L260 WeakPolarHBondContact O-CD1 3.48Å; L256-L260 PolarHBondContact O-N 3.35Å; L256-Y282 HydrophobicContact CB-CD1 3.99Å; L256-Y282 HydrophobicContact CB-CD2 4.38Å; L256-Y282 HydrophobicContact CB-CE1 4.11Å; L256-Y282 HydrophobicContact CB-CE2 4.49Å; L256-Y282 HydrophobicContact CB-CG 4.14Å; L256-Y282 HydrophobicContact CD1-CD1 4.19Å; L256-Y282 HydrophobicContact CD1-CE1 3.66Å |
| 257 | G | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.5 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | S253 M254 T261 | S253-G257 PolarHBondContact O-N 3.27Å; M254-G257 PolarHBondContact O-N 3.2Å; G257-T261 WeakPolarHBondContact O-CB 3.44Å; G257-T261 PolarHBondContact O-N 3.39Å; G257-T261 PolarHBondContact O-OG1 2.98Å |
| 258 | L | 96.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.4 | -40.5 | 177.2 | -79.1 | 169.5 | 0 | 0 | 0 | 112.8 | F226 T230 F233 M254 L255 L256 L260 T261 D262 F283 | F226-L258 HydrophobicContact CB-CD2 4.45Å; F226-L258 HydrophobicContact CD1-CD2 3.8Å; T230-L258 WeakPolarHBondContact OG1-CB 3.16Å; F233-L258 HydrophobicContact CB-CD1 4.1Å; F233-L258 HydrophobicContact CD2-CD1 3.26Å; F233-L258 HydrophobicContact CE2-CD1 3.88Å; F233-L258 HydrophobicContact CG-CD1 3.89Å; M254-L258 WeakPolarHBondContact O-CB 3.26Å; M254-L258 WeakPolarHBondContact O-CG 3.23Å; M254-L258 PolarHBondContact O-N 3.18Å; L255-L258 PolarHBondContact O-N 2.8Å; L256-L258 VanDerWaalsContact C-N 3.29Å; L256-L258 PolarHBondContact O-N 2.7Å; L258-L260 PolarHBondContact O-N 2.6Å; L258-T261 CarbonylContact O-C 3.6Å; L258-T261 WeakPolarHBondContact O-CA 3.28Å; L258-T261 VanDerWaalsContact O-CB 3.32Å; L258-T261 WeakPolarHBondContact O-CB 3.21Å; L258-T261 PolarHBondContact O-N 3.4Å; L258-T261 VanDerWaalsContact O-N 3.11Å; L258-D262 VanDerWaalsContact O-CG 3.26Å; L258-D262 PolarHBondContact O-N 3.11Å; L258-F283 HydrophobicContact CD2-CE1 4.5Å; L258-F283 HydrophobicContact CD2-CZ 4.06Å; L258-F283 HydrophobicContact CG-CE1 4.02Å; L258-F283 HydrophobicContact CG-CZ 3.93Å |
| 259 | L | 96.5 | Very high | 92 | Very high | 79 Ų | 79 | 47 Ų | 47 | 41% | 0.414 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 174.7 | -76.2 | 169.3 | 0 | 0 | 0 | 111.9 | T230 L255 L256 T261 D262 V263 | T230-L259 HydrophobicContact CG2-CD2 3.67Å; T230-L259 HydrophobicContact CG2-CG 3.96Å; L255-L259 HydrophobicContact CD1-CD1 4.19Å; L255-L259 HydrophobicContact CD1-CG 4.24Å; L255-L259 HydrophobicContact CG-CD1 4.1Å; L255-L259 WeakPolarHBondContact O-CB 3.37Å; L255-L259 VanDerWaalsContact O-CG 3.32Å; L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 3.15Å; L256-L259 PolarHBondContact O-N 3.16Å; L259-T261 VanDerWaalsContact C-N 3.28Å; L259-T261 PolarHBondContact O-N 2.9Å; L259-D262 PolarHBondContact O-N 3.27Å; L259-V263 WeakPolarHBondContact O-CG2 3.23Å; L259-V263 PolarHBondContact O-N 3.16Å |
| 260 | L | 95 | Very high | 90.9 | Very high | 34 Ų | 34 | 43.5 Ų | 43.5 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.3 | -37.3 | 174 | -83.4 | 110.9 | 0 | 0 | 0 | 111.7 | L256 L258 N264 M275 A278 A279 Y282 | L256-L260 WeakPolarHBondContact O-CD1 3.48Å; L256-L260 PolarHBondContact O-N 3.35Å; L258-L260 PolarHBondContact O-N 2.6Å; L260-N264 WeakPolarHBondContact O-CB 3.26Å; L260-N264 PolarHBondContact O-N 2.82Å; L260-M275 HydrophobicContact CD2-SD 3.94Å; L260-A278 HydrophobicContact CD2-CB 3.57Å; L260-A279 HydrophobicContact CB-CB 3.84Å; L260-Y282 HydrophobicContact CD1-CD2 3.73Å; L260-Y282 HydrophobicContact CD1-CE2 3.63Å |
| 261 | T | 93.9 | Very high | 89.7 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 175.2 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | F226 G257 L258 L259 V263 N264 Y265 F283 | F226-T261 HydrophobicContact CB-CG2 4.41Å; F226-T261 HydrophobicContact CD1-CG2 4.26Å; F226-T261 HydrophobicContact CD2-CG2 3.82Å; F226-T261 HydrophobicContact CE2-CG2 4.12Å; F226-T261 HydrophobicContact CG-CG2 3.91Å; F226-T261 HydrophobicContact CZ-CG2 4.46Å; G257-T261 WeakPolarHBondContact O-CB 3.44Å; G257-T261 PolarHBondContact O-N 3.39Å; G257-T261 PolarHBondContact O-OG1 2.98Å; L258-T261 CarbonylContact O-C 3.6Å; L258-T261 WeakPolarHBondContact O-CA 3.28Å; L258-T261 VanDerWaalsContact O-CB 3.32Å; L258-T261 WeakPolarHBondContact O-CB 3.21Å; L258-T261 PolarHBondContact O-N 3.4Å; L258-T261 VanDerWaalsContact O-N 3.11Å; L259-T261 VanDerWaalsContact C-N 3.28Å; L259-T261 PolarHBondContact O-N 2.9Å; T261-V263 PolarHBondContact O-N 3.29Å; T261-N264 CarbonylContact O-C 3.48Å; T261-N264 WeakPolarHBondContact O-CA 3.16Å; T261-N264 WeakPolarHBondContact O-CB 3.42Å; T261-N264 PolarHBondContact O-N 2.64Å; T261-N264 VanDerWaalsContact O-N 3.07Å; T261-Y265 HydrophobicContact CG2-CD2 3.69Å; T261-Y265 HydrophobicContact CG2-CE2 3.57Å; T261-Y265 VanDerWaalsContact O-CD2 3.26Å; T261-Y265 WeakPolarHBondContact O-CD2 3.35Å; T261-Y265 PolarHBondContact O-N 2.89Å; T261-F283 WeakPolarHBondContact OG1-CE2 3.41Å |
| 262 | D | 94 | Very high | 89.1 | Confident | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.08 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58 | -50.3 | 178.5 | -68.8 | -19.2 | 0 | 0 | 0 | 111.1 | F226 V227 T230 L258 L259 N264 Y265 F266 | F226-D262 VanDerWaalsContact C-OD1 3.29Å; F226-D262 WeakPolarHBondContact CB-OD1 3.41Å; V227-D262 HydrophobicContact CG2-CB 4.14Å; V227-D262 PolarHBondContact N-OD1 3.29Å; V227-D262 VanDerWaalsContact N-OD1 3.16Å; T230-D262 VanDerWaalsContact CB-OD2 3.3Å; T230-D262 WeakPolarHBondContact CB-OD2 3.47Å; T230-D262 PolarHBondContact OG1-OD2 3.4Å; L258-D262 VanDerWaalsContact O-CG 3.26Å; L258-D262 PolarHBondContact O-N 3.11Å; L259-D262 PolarHBondContact O-N 3.27Å; D262-N264 PolarHBondContact O-N 3.09Å; D262-Y265 PolarHBondContact O-N 3.33Å; D262-F266 WeakPolarHBondContact O-CD2 3.27Å; D262-F266 PolarHBondContact O-N 3.11Å |
| 263 | V | 92.2 | Very high | 88.4 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 47% | 0.473 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.9 | -42.4 | 175.4 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | L259 T261 Y265 F266 T267 | L259-V263 WeakPolarHBondContact O-CG2 3.23Å; L259-V263 PolarHBondContact O-N 3.16Å; T261-V263 PolarHBondContact O-N 3.29Å; V263-Y265 VanDerWaalsContact C-N 3.32Å; V263-Y265 PolarHBondContact O-N 3.18Å; V263-F266 PolarHBondContact O-N 2.92Å; V263-T267 PolarHBondContact O-N 2.81Å; V263-T267 PolarHBondContact O-OG1 2.87Å |
| 264 | N | 91 | Very high | 87.9 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.7 | -32.4 | 177.1 | -169.6 | 41.1 | 0 | 0 | 0 | 112.4 | R219 L260 T261 D262 V272 M275 | R219-N264 PolarHBondContact NH2-O 3.29Å; L260-N264 WeakPolarHBondContact O-CB 3.26Å; L260-N264 PolarHBondContact O-N 2.82Å; T261-N264 CarbonylContact O-C 3.48Å; T261-N264 WeakPolarHBondContact O-CA 3.16Å; T261-N264 WeakPolarHBondContact O-CB 3.42Å; T261-N264 PolarHBondContact O-N 2.64Å; T261-N264 VanDerWaalsContact O-N 3.07Å; D262-N264 PolarHBondContact O-N 3.09Å; N264-V272 PolarHBondContact OD1-N 3.24Å; N264-V272 PolarHBondContact OD1-O 3.05Å; N264-M275 HydrophobicContact CB-CB 3.98Å |
| 265 | Y | 89.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 24% | 0.235 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -78.4 | -30.3 | 177.9 | -84.6 | -83.9 | 0 | 0 | 0 | 113.5 | R219 Y222 F226 T261 D262 V263 | R219-Y265 HydrophobicContact CG-CD1 3.54Å; R219-Y265 HydrophobicContact CG-CE1 4.17Å; R219-Y265 HydrophobicContact CG-CG 4.5Å; R219-Y265 PolarHBondContact NE-O 2.95Å; R219-Y265 VanDerWaalsContact O-CD1 3.27Å; R219-Y265 WeakPolarHBondContact O-CD1 3.47Å; Y222-Y265 HydrophobicContact CG-CE1 4.11Å; F226-Y265 AromaticContact CD2-CD2 3.84Å; F226-Y265 HydrophobicContact CD2-CD2 3.84Å; F226-Y265 AromaticContact CD2-CE2 3.59Å; F226-Y265 HydrophobicContact CD2-CE2 3.59Å; F226-Y265 HydrophobicContact CE2-CD2 4.17Å; F226-Y265 AromaticContact CE2-CE2 3.43Å; F226-Y265 HydrophobicContact CE2-CE2 3.43Å; F226-Y265 VanDerWaalsContact CE2-CE2 3.43Å; F226-Y265 AromaticContact CE2-CZ 3.73Å; F226-Y265 HydrophobicContact CZ-CE2 4.5Å; T261-Y265 HydrophobicContact CG2-CD2 3.69Å; T261-Y265 HydrophobicContact CG2-CE2 3.57Å; T261-Y265 VanDerWaalsContact O-CD2 3.26Å; T261-Y265 WeakPolarHBondContact O-CD2 3.35Å; T261-Y265 PolarHBondContact O-N 2.89Å; D262-Y265 PolarHBondContact O-N 3.33Å; V263-Y265 VanDerWaalsContact C-N 3.32Å; V263-Y265 PolarHBondContact O-N 3.18Å |
| 266 | F | 89.4 | Confident | 87.1 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -92.5 | -5.1 | -179.6 | -69.5 | -69.3 | 0 | 0 | 0 | 114.9 | V220 V224 V227 D262 V263 N268 | V220-F266 HydrophobicContact CG1-CE1 4.4Å; V224-F266 HydrophobicContact CG2-CZ 4.29Å; V227-F266 HydrophobicContact CG2-CE2 3.68Å; V227-F266 HydrophobicContact CG2-CZ 4.36Å; D262-F266 WeakPolarHBondContact O-CD2 3.27Å; D262-F266 PolarHBondContact O-N 3.11Å; V263-F266 PolarHBondContact O-N 2.92Å; F266-N268 PolarHBondContact O-N 3.13Å |
| 267 | T | 86.1 | Confident | 86.7 | Confident | 37 Ų | 37 | 65.7 Ų | 65.7 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | trans | -71.9 | 123.6 | 175.7 | -61.9 | 0 | 0 | 0 | 0 | 111.2 | R219 V263 D269 V272 | R219-T267 PolarHBondContact NH1-O 3.42Å; R219-T267 PolarHBondContact NH2-O 3.46Å; V263-T267 PolarHBondContact O-N 2.81Å; V263-T267 PolarHBondContact O-OG1 2.87Å; T267-D269 VanDerWaalsContact C-N 3.3Å; T267-D269 HydrophobicContact CG2-CB 4.46Å; T267-D269 PolarHBondContact O-N 3.27Å; T267-V272 HydrophobicContact CG2-CG2 3.93Å | ||
| 268 | N | 71.7 | Confident | 86.5 | Confident | 160 Ų | 160 | 67.5 Ų | 67.5 | 86% | 0.856 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29 | -174.4 | -70.9 | -37.2 | 0 | 0 | 0 | 113.9 | F266 G270 | F266-N268 PolarHBondContact O-N 3.13Å; N268-G270 PolarHBondContact O-N 3.43Å |
| 269 | D | 74.4 | Confident | 86.4 | Confident | 154 Ų | 154 | 67.6 Ų | 67.6 | 82% | 0.824 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 21 | -171.5 | -59.9 | -40.7 | 0 | 0 | 0 | 114.6 | T267 | T267-D269 VanDerWaalsContact C-N 3.3Å; T267-D269 HydrophobicContact CG2-CB 4.46Å; T267-D269 PolarHBondContact O-N 3.27Å |
| 270 | G | 69.4 | Low | 86.2 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 22% | 0.216 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 81.9 | 179.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R219 N268 V272 | R219-G270 VanDerWaalsContact NH1-CA 3.28Å; R219-G270 PolarHBondContact NH2-O 3.38Å; N268-G270 PolarHBondContact O-N 3.43Å; G270-V272 PolarHBondContact O-N 3.36Å |
| 271 | P | 69.4 | Low | 86.2 | Confident | 84 Ų | 84 | 63.7 Ų | 63.7 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | trans | -67.3 | 116.4 | -179.4 | 25.5 | -31.4 | 0 | 0 | 0 | 110 | R219 Q273 | R219-P271 VanDerWaalsContact NH2-CA 3.35Å; R219-P271 VanDerWaalsContact NH2-N 3.19Å; P271-Q273 PolarHBondContact O-N 2.79Å; P271-Q273 VanDerWaalsContact O-N 3.17Å | ||
| 272 | V | 81.3 | Confident | 86.3 | Confident | 54 Ų | 54 | 67 Ų | 67 | 33% | 0.327 | 36% | 0.361 | S | S | . | . | trans | -79 | 102.9 | 176.7 | -177.3 | 0 | 0 | 0 | 0 | 106.9 | N264 T267 G270 V274 M275 E276 | N264-V272 PolarHBondContact OD1-N 3.24Å; N264-V272 PolarHBondContact OD1-O 3.05Å; T267-V272 HydrophobicContact CG2-CG2 3.93Å; G270-V272 PolarHBondContact O-N 3.36Å; V272-V274 HydrophobicContact CG1-CB 4.32Å; V272-V274 PolarHBondContact O-N 2.66Å; V272-M275 HydrophobicContact CB-CB 4.32Å; V272-M275 HydrophobicContact CB-CG 4.07Å; V272-M275 HydrophobicContact CG1-CG 4.08Å; V272-M275 WeakPolarHBondContact O-CB 3.15Å; V272-M275 PolarHBondContact O-N 3.35Å; V272-E276 PolarHBondContact O-N 3.36Å | ||
| 273 | Q | 82 | Confident | 86.4 | Confident | 133 Ų | 133 | 67.1 Ų | 67.1 | 62% | 0.621 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -51.2 | -35.9 | -175.6 | -66.9 | -178.5 | 1.4 | 0 | 0 | 112.9 | P271 M275 E276 Y277 | P271-Q273 PolarHBondContact O-N 2.79Å; P271-Q273 VanDerWaalsContact O-N 3.17Å; Q273-M275 VanDerWaalsContact C-N 3.35Å; Q273-M275 PolarHBondContact O-N 3.18Å; Q273-E276 PolarHBondContact O-N 2.99Å; Q273-Y277 HydrophobicContact CB-CD2 4.41Å; Q273-Y277 HydrophobicContact CB-CE2 4.1Å; Q273-Y277 WeakPolarHBondContact O-CD2 3.2Å; Q273-Y277 PolarHBondContact O-N 2.95Å |
| 274 | V | 86.4 | Confident | 86.6 | Confident | 107 Ų | 107 | 68.1 Ų | 68.1 | 65% | 0.648 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.8 | -41.1 | 177.6 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | V272 A278 | V272-V274 HydrophobicContact CG1-CB 4.32Å; V272-V274 PolarHBondContact O-N 2.66Å; V274-A278 VanDerWaalsContact O-CB 3.26Å; V274-A278 WeakPolarHBondContact O-CB 3.49Å; V274-A278 PolarHBondContact O-N 3.27Å |
| 275 | M | 87.8 | Confident | 86.8 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 36% | 0.36 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.8 | -38.3 | 178.6 | -67 | -62.2 | 179.1 | 0 | 0 | 111.4 | L260 N264 V272 Q273 A278 A279 | L260-M275 HydrophobicContact CD2-SD 3.94Å; N264-M275 HydrophobicContact CB-CB 3.98Å; V272-M275 HydrophobicContact CB-CB 4.32Å; V272-M275 HydrophobicContact CB-CG 4.07Å; V272-M275 HydrophobicContact CG1-CG 4.08Å; V272-M275 WeakPolarHBondContact O-CB 3.15Å; V272-M275 PolarHBondContact O-N 3.35Å; Q273-M275 VanDerWaalsContact C-N 3.35Å; Q273-M275 PolarHBondContact O-N 3.18Å; M275-A278 PolarHBondContact O-N 2.84Å; M275-A279 VanDerWaalsContact O-CB 3.3Å; M275-A279 WeakPolarHBondContact O-CB 3.19Å; M275-A279 PolarHBondContact O-N 2.67Å |
| 276 | E | 87.5 | Confident | 87.1 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 32% | 0.318 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 175.5 | -172.7 | 175.1 | 168.6 | 0 | 0 | 111.7 | V272 Q273 A279 A280 | V272-E276 PolarHBondContact O-N 3.36Å; Q273-E276 PolarHBondContact O-N 2.99Å; E276-A279 PolarHBondContact O-N 2.97Å; E276-A280 WeakPolarHBondContact O-CB 3.23Å; E276-A280 PolarHBondContact O-N 3.13Å |
| 277 | Y | 90.4 | Very high | 87.4 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.5 | -36.8 | 177 | -67.2 | -50.5 | 0 | 0 | 0 | 112.9 | F154 Q273 A280 G281 | F154-Y277 AromaticContact CD1-CD1 3.85Å; F154-Y277 HydrophobicContact CD1-CD1 3.85Å; F154-Y277 AromaticContact CD1-CE1 3.87Å; F154-Y277 HydrophobicContact CD1-CE1 3.87Å; F154-Y277 AromaticContact CE1-CD1 3.5Å; F154-Y277 HydrophobicContact CE1-CD1 3.5Å; F154-Y277 VanDerWaalsContact CE1-CD1 3.5Å; F154-Y277 HydrophobicContact CE1-CE1 4.01Å; F154-Y277 HydrophobicContact CE1-CG 4.42Å; F154-Y277 HydrophobicContact CZ-CD1 4.37Å; Q273-Y277 HydrophobicContact CB-CD2 4.41Å; Q273-Y277 HydrophobicContact CB-CE2 4.1Å; Q273-Y277 WeakPolarHBondContact O-CD2 3.2Å; Q273-Y277 PolarHBondContact O-N 2.95Å; Y277-A280 PolarHBondContact O-N 3.38Å; Y277-G281 PolarHBondContact O-N 3.18Å |
| 278 | A | 92.4 | Very high | 87.8 | Confident | 38 Ų | 38 | 65 Ų | 65 | 31% | 0.314 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L260 V274 M275 A280 G281 Y282 | L260-A278 HydrophobicContact CD2-CB 3.57Å; V274-A278 VanDerWaalsContact O-CB 3.26Å; V274-A278 WeakPolarHBondContact O-CB 3.49Å; V274-A278 PolarHBondContact O-N 3.27Å; M275-A278 PolarHBondContact O-N 2.84Å; A278-A280 PolarHBondContact O-N 2.73Å; A278-G281 PolarHBondContact O-N 2.69Å; A278-Y282 VanDerWaalsContact O-CD2 3.26Å; A278-Y282 WeakPolarHBondContact O-CD2 3.38Å; A278-Y282 PolarHBondContact O-N 3.29Å; A278-Y282 VanDerWaalsContact O-N 3.14Å |
| 279 | A | 93.8 | Very high | 88.8 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L260 M275 E276 G281 Y282 F283 | L260-A279 HydrophobicContact CB-CB 3.84Å; M275-A279 VanDerWaalsContact O-CB 3.3Å; M275-A279 WeakPolarHBondContact O-CB 3.19Å; M275-A279 PolarHBondContact O-N 2.67Å; E276-A279 PolarHBondContact O-N 2.97Å; A279-G281 VanDerWaalsContact C-N 3.26Å; A279-G281 PolarHBondContact O-N 2.75Å; A279-Y282 PolarHBondContact O-N 3.49Å; A279-Y282 VanDerWaalsContact O-N 3.15Å; A279-F283 HydrophobicContact CB-CE2 4.31Å; A279-F283 WeakPolarHBondContact O-CD2 3.34Å; A279-F283 PolarHBondContact O-N 2.93Å |
| 280 | A | 93.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q150 F154 E276 Y277 A278 F283 F284 | Q150-A280 VanDerWaalsContact OE1-CA 3.29Å; F154-A280 HydrophobicContact CE2-CB 4.1Å; F154-A280 HydrophobicContact CZ-CB 4.12Å; E276-A280 WeakPolarHBondContact O-CB 3.23Å; E276-A280 PolarHBondContact O-N 3.13Å; Y277-A280 PolarHBondContact O-N 3.38Å; A278-A280 PolarHBondContact O-N 2.73Å; A280-F283 PolarHBondContact O-N 3.17Å; A280-F284 WeakPolarHBondContact O-CB 3.38Å; A280-F284 PolarHBondContact O-N 3.3Å |
| 281 | G | 94 | Very high | 90.7 | Very high | 29 Ų | 29 | 54 Ų | 54 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y277 A278 A279 F283 F284 I285 | Y277-G281 PolarHBondContact O-N 3.18Å; A278-G281 PolarHBondContact O-N 2.69Å; A279-G281 VanDerWaalsContact C-N 3.26Å; A279-G281 PolarHBondContact O-N 2.75Å; G281-F283 PolarHBondContact O-N 3.12Å; G281-F284 WeakPolarHBondContact O-CB 3.25Å; G281-F284 PolarHBondContact O-N 3.05Å; G281-I285 WeakPolarHBondContact O-CG1 3.37Å; G281-I285 PolarHBondContact O-N 3.04Å |
| 282 | Y | 96.7 | Very high | 91.7 | Very high | 86 Ų | 86 | 53.5 Ų | 53.5 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 176.2 | -77.7 | -70.2 | 0 | 0 | 0 | 112.8 | L256 L260 A278 A279 F284 I285 A286 | L256-Y282 HydrophobicContact CB-CD1 3.99Å; L256-Y282 HydrophobicContact CB-CD2 4.38Å; L256-Y282 HydrophobicContact CB-CE1 4.11Å; L256-Y282 HydrophobicContact CB-CE2 4.49Å; L256-Y282 HydrophobicContact CB-CG 4.14Å; L256-Y282 HydrophobicContact CD1-CD1 4.19Å; L256-Y282 HydrophobicContact CD1-CE1 3.66Å; L260-Y282 HydrophobicContact CD1-CD2 3.73Å; L260-Y282 HydrophobicContact CD1-CE2 3.63Å; A278-Y282 VanDerWaalsContact O-CD2 3.26Å; A278-Y282 WeakPolarHBondContact O-CD2 3.38Å; A278-Y282 PolarHBondContact O-N 3.29Å; A278-Y282 VanDerWaalsContact O-N 3.14Å; A279-Y282 PolarHBondContact O-N 3.49Å; A279-Y282 VanDerWaalsContact O-N 3.15Å; Y282-F284 VanDerWaalsContact C-N 3.31Å; Y282-F284 PolarHBondContact O-N 2.96Å; Y282-I285 PolarHBondContact O-N 3.25Å; Y282-A286 PolarHBondContact O-N 2.88Å |
| 283 | F | 96.1 | Very high | 92 | Very high | 18 Ų | 18 | 51 Ų | 51 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.4 | -31.5 | 174.9 | -67.9 | -45.8 | 0 | 0 | 0 | 113.1 | L146 Q150 M254 L258 T261 A279 A280 G281 A286 S287 | L146-F283 HydrophobicContact CD2-CB 4.44Å; L146-F283 HydrophobicContact CD2-CD1 4.37Å; Q150-F283 VanDerWaalsContact CD-CB 3.44Å; Q150-F283 HydrophobicContact CG-CB 3.81Å; M254-F283 HydrophobicContact CE-CD1 4.17Å; M254-F283 HydrophobicContact CE-CE1 4.01Å; M254-F283 HydrophobicContact SD-CD1 3.62Å; M254-F283 HydrophobicContact SD-CE1 3.97Å; L258-F283 HydrophobicContact CD2-CE1 4.5Å; L258-F283 HydrophobicContact CD2-CZ 4.06Å; L258-F283 HydrophobicContact CG-CE1 4.02Å; L258-F283 HydrophobicContact CG-CZ 3.93Å; T261-F283 WeakPolarHBondContact OG1-CE2 3.41Å; A279-F283 HydrophobicContact CB-CE2 4.31Å; A279-F283 WeakPolarHBondContact O-CD2 3.34Å; A279-F283 PolarHBondContact O-N 2.93Å; A280-F283 PolarHBondContact O-N 3.17Å; G281-F283 PolarHBondContact O-N 3.12Å; F283-A286 PolarHBondContact O-N 3.15Å; F283-S287 WeakPolarHBondContact O-CB 3.37Å; F283-S287 PolarHBondContact O-N 2.84Å |
| 284 | F | 94.9 | Very high | 92.3 | Very high | 99 Ų | 99 | 46 Ų | 46 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.2 | -41.6 | 173.1 | -159.3 | -89.1 | 0 | 0 | 0 | 111.2 | Q150 A280 G281 Y282 S287 A288 | Q150-F284 HydrophobicContact CB-CD2 4.26Å; A280-F284 WeakPolarHBondContact O-CB 3.38Å; A280-F284 PolarHBondContact O-N 3.3Å; G281-F284 WeakPolarHBondContact O-CB 3.25Å; G281-F284 PolarHBondContact O-N 3.05Å; Y282-F284 VanDerWaalsContact C-N 3.31Å; Y282-F284 PolarHBondContact O-N 2.96Å; F284-S287 WeakPolarHBondContact O-CB 3.33Å; F284-S287 PolarHBondContact O-N 3.4Å; F284-A288 PolarHBondContact O-N 3.3Å |
| 285 | I | 96.4 | Very high | 92.3 | Very high | 86 Ų | 86 | 42.6 Ų | 42.6 | 44% | 0.441 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61 | -47.9 | 172.7 | -63.8 | 168.9 | 0 | 0 | 0 | 110.1 | G281 Y282 S287 A288 L289 | G281-I285 WeakPolarHBondContact O-CG1 3.37Å; G281-I285 PolarHBondContact O-N 3.04Å; Y282-I285 PolarHBondContact O-N 3.25Å; I285-S287 VanDerWaalsContact C-N 3.3Å; I285-S287 PolarHBondContact O-N 2.92Å; I285-A288 PolarHBondContact O-N 3.46Å; I285-L289 HydrophobicContact CG2-CD1 4.08Å; I285-L289 HydrophobicContact CG2-CG 4.4Å; I285-L289 WeakPolarHBondContact O-CG 3.48Å; I285-L289 PolarHBondContact O-N 2.92Å |
| 286 | A | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L146 F250 M254 Y282 F283 L289 S290 | L146-A286 HydrophobicContact CD1-CB 4.25Å; F250-A286 HydrophobicContact CD2-CB 4.16Å; F250-A286 VanDerWaalsContact CD2-O 3.27Å; F250-A286 WeakPolarHBondContact CD2-O 3.37Å; F250-A286 HydrophobicContact CE2-CB 4.26Å; M254-A286 HydrophobicContact CG-CB 3.76Å; M254-A286 HydrophobicContact SD-CB 3.66Å; Y282-A286 PolarHBondContact O-N 2.88Å; F283-A286 PolarHBondContact O-N 3.15Å; A286-L289 PolarHBondContact O-N 3.38Å; A286-S290 PolarHBondContact O-N 3.12Å |
| 287 | S | 94.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 175 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | G143 T147 F283 F284 I285 L289 S290 L291 | G143-S287 PolarHBondContact O-OG 3.22Å; T147-S287 PolarHBondContact OG1-OG 3.27Å; F283-S287 WeakPolarHBondContact O-CB 3.37Å; F283-S287 PolarHBondContact O-N 2.84Å; F284-S287 WeakPolarHBondContact O-CB 3.33Å; F284-S287 PolarHBondContact O-N 3.4Å; I285-S287 VanDerWaalsContact C-N 3.3Å; I285-S287 PolarHBondContact O-N 2.92Å; S287-L289 VanDerWaalsContact C-N 3.31Å; S287-L289 PolarHBondContact O-N 3.43Å; S287-S290 WeakPolarHBondContact O-CB 3.44Å; S287-S290 PolarHBondContact O-N 3.4Å; S287-S290 VanDerWaalsContact O-N 3.09Å; S287-L291 PolarHBondContact O-N 2.99Å |
| 288 | A | 94.9 | Very high | 91.3 | Very high | 51 Ų | 51 | 37.9 Ų | 37.9 | 42% | 0.421 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F284 I285 S290 L291 Y292 | F284-A288 PolarHBondContact O-N 3.3Å; I285-A288 PolarHBondContact O-N 3.46Å; A288-S290 VanDerWaalsContact C-N 3.35Å; A288-L291 PolarHBondContact O-N 3.22Å; A288-Y292 WeakPolarHBondContact O-CB 3.49Å; A288-Y292 PolarHBondContact O-N 3.14Å |
| 289 | L | 93.5 | Very high | 90.7 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 20% | 0.199 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -37.9 | 174.4 | -66.8 | 173.1 | 0 | 0 | 0 | 112.1 | V246 F249 F250 I285 A286 S287 Y292 M293 | V246-L289 HydrophobicContact CG1-CD2 4.24Å; F249-L289 HydrophobicContact CB-CD1 3.96Å; F250-L289 HydrophobicContact CB-CB 4.22Å; F250-L289 HydrophobicContact CB-CD1 4.44Å; I285-L289 HydrophobicContact CG2-CD1 4.08Å; I285-L289 HydrophobicContact CG2-CG 4.4Å; I285-L289 WeakPolarHBondContact O-CG 3.48Å; I285-L289 PolarHBondContact O-N 2.92Å; A286-L289 PolarHBondContact O-N 3.38Å; S287-L289 VanDerWaalsContact C-N 3.31Å; S287-L289 PolarHBondContact O-N 3.43Å; L289-Y292 WeakPolarHBondContact O-CB 3.39Å; L289-Y292 PolarHBondContact O-N 3.28Å; L289-M293 WeakPolarHBondContact O-CG 3.37Å; L289-M293 PolarHBondContact O-N 3.33Å |
| 290 | S | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 175 | -162.3 | 0 | 0 | 0 | 0 | 111.9 | L139 A286 S287 A288 Y292 M293 L294 | L139-S290 PolarHBondContact O-OG 3.38Å; A286-S290 PolarHBondContact O-N 3.12Å; S287-S290 WeakPolarHBondContact O-CB 3.44Å; S287-S290 PolarHBondContact O-N 3.4Å; S287-S290 VanDerWaalsContact O-N 3.09Å; A288-S290 VanDerWaalsContact C-N 3.35Å; S290-Y292 VanDerWaalsContact C-N 3.33Å; S290-M293 PolarHBondContact O-N 3.46Å; S290-L294 PolarHBondContact O-N 3.4Å |
| 291 | L | 90.7 | Very high | 88.5 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 34% | 0.34 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.2 | -30.8 | 176.1 | -66.8 | 176.3 | 0 | 0 | 0 | 112.5 | V140 S287 A288 L294 A295 | V140-L291 HydrophobicContact CG2-CD2 4.49Å; S287-L291 PolarHBondContact O-N 2.99Å; A288-L291 PolarHBondContact O-N 3.22Å; L291-L294 HydrophobicContact CD2-CD2 4.15Å; L291-L294 WeakPolarHBondContact O-CB 3.49Å; L291-L294 PolarHBondContact O-N 2.93Å; L291-A295 PolarHBondContact O-N 3.4Å |
| 292 | Y | 91 | Very high | 87.1 | Confident | 75 Ų | 75 | 54.6 Ų | 54.6 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 171.5 | 178.7 | -87.2 | 0 | 0 | 0 | 111.7 | V246 A288 L289 S290 L294 A295 H296 L308 P309 L310 | V246-Y292 HydrophobicContact CG1-CD1 3.95Å; V246-Y292 HydrophobicContact CG1-CE1 4.45Å; V246-Y292 HydrophobicContact CG2-CD1 4.3Å; V246-Y292 HydrophobicContact CG2-CE1 4Å; A288-Y292 WeakPolarHBondContact O-CB 3.49Å; A288-Y292 PolarHBondContact O-N 3.14Å; L289-Y292 WeakPolarHBondContact O-CB 3.39Å; L289-Y292 PolarHBondContact O-N 3.28Å; S290-Y292 VanDerWaalsContact C-N 3.33Å; Y292-L294 VanDerWaalsContact C-N 3.26Å; Y292-L294 PolarHBondContact O-N 3.43Å; Y292-A295 WeakPolarHBondContact O-CB 3.46Å; Y292-A295 PolarHBondContact O-N 2.89Å; Y292-A295 VanDerWaalsContact O-N 3.14Å; Y292-H296 PolarHBondContact O-N 3.01Å; Y292-L308 HydrophobicContact CD2-CD2 4.25Å; Y292-L308 HydrophobicContact CE2-CD2 3.61Å; Y292-P309 PolarHBondContact OH-O 2.85Å; Y292-L310 HydrophobicContact CD1-CD2 4.44Å; Y292-L310 HydrophobicContact CE1-CD2 4.18Å |
| 293 | M | 88.6 | Confident | 85.5 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -35.4 | 175.2 | -70.2 | -174.7 | -79 | 0 | 0 | 111.8 | L139 V246 Q247 F250 L289 S290 H296 A297 L310 | L139-M293 HydrophobicContact CD1-CB 3.58Å; L139-M293 HydrophobicContact CD2-CB 4.36Å; L139-M293 HydrophobicContact CD2-CE 3.75Å; L139-M293 HydrophobicContact CD2-SD 4.33Å; V246-M293 HydrophobicContact CB-CG 4.42Å; V246-M293 HydrophobicContact CG1-CG 3.5Å; V246-M293 HydrophobicContact CG1-SD 4.01Å; Q247-M293 HydrophobicContact CB-SD 3.9Å; Q247-M293 HydrophobicContact CG-SD 4.24Å; F250-M293 HydrophobicContact CB-CE 3.78Å; F250-M293 HydrophobicContact CD1-CE 4.43Å; F250-M293 HydrophobicContact CD2-CE 4.19Å; F250-M293 HydrophobicContact CG-CE 3.86Å; L289-M293 WeakPolarHBondContact O-CG 3.37Å; L289-M293 PolarHBondContact O-N 3.33Å; S290-M293 PolarHBondContact O-N 3.46Å; M293-H296 PolarHBondContact O-N 3.25Å; M293-A297 WeakPolarHBondContact O-CB 3.39Å; M293-A297 PolarHBondContact O-N 3.16Å; M293-L310 HydrophobicContact CG-CD2 4Å |
| 294 | L | 87.3 | Confident | 83.8 | Confident | 26 Ų | 26 | 56 Ų | 56 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 170.3 | 172 | 69.7 | 0 | 0 | 0 | 111.8 | A136 V140 S290 L291 Y292 H296 A297 L298 | A136-L294 HydrophobicContact CB-CD1 3.78Å; V140-L294 HydrophobicContact CB-CD1 4.12Å; V140-L294 HydrophobicContact CB-CD2 3.58Å; V140-L294 HydrophobicContact CB-CG 4.38Å; V140-L294 HydrophobicContact CG2-CD2 3.55Å; S290-L294 PolarHBondContact O-N 3.4Å; L291-L294 HydrophobicContact CD2-CD2 4.15Å; L291-L294 WeakPolarHBondContact O-CB 3.49Å; L291-L294 PolarHBondContact O-N 2.93Å; Y292-L294 VanDerWaalsContact C-N 3.26Å; Y292-L294 PolarHBondContact O-N 3.43Å; L294-H296 VanDerWaalsContact C-N 3.27Å; L294-H296 PolarHBondContact O-N 3.35Å; L294-A297 PolarHBondContact O-N 2.85Å; L294-A297 VanDerWaalsContact O-N 3.08Å; L294-L298 HydrophobicContact CD1-CD1 4.01Å; L294-L298 HydrophobicContact CD1-CG 4.02Å; L294-L298 HydrophobicContact CG-CD1 3.99Å; L294-L298 HydrophobicContact CG-CG 4.35Å; L294-L298 WeakPolarHBondContact O-CG 3.31Å; L294-L298 PolarHBondContact O-N 2.86Å |
| 295 | A | 85.9 | Confident | 82 | Confident | 36 Ų | 36 | 59.5 Ų | 59.5 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L291 Y292 L298 L299 | L291-A295 PolarHBondContact O-N 3.4Å; Y292-A295 WeakPolarHBondContact O-CB 3.46Å; Y292-A295 PolarHBondContact O-N 2.89Å; Y292-A295 VanDerWaalsContact O-N 3.14Å; A295-L298 PolarHBondContact O-N 3.06Å; A295-L299 WeakPolarHBondContact O-CB 3.28Å; A295-L299 VanDerWaalsContact O-CG 3.29Å; A295-L299 WeakPolarHBondContact O-CG 3.26Å; A295-L299 PolarHBondContact O-N 2.62Å |
| 296 | H | 84 | Confident | 80.4 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.6 | -49.9 | 171.4 | 173.9 | 84.6 | 0 | 0 | 0 | 112.1 | Y292 M293 L294 L298 L299 H300 L308 L310 | Y292-H296 PolarHBondContact O-N 3.01Å; M293-H296 PolarHBondContact O-N 3.25Å; L294-H296 VanDerWaalsContact C-N 3.27Å; L294-H296 PolarHBondContact O-N 3.35Å; H296-L298 VanDerWaalsContact C-N 3.33Å; H296-L298 PolarHBondContact O-N 3.39Å; H296-L299 PolarHBondContact O-N 3.2Å; H296-H300 VanDerWaalsContact O-CB 3.26Å; H296-H300 WeakPolarHBondContact O-CB 3.34Å; H296-H300 PolarHBondContact O-N 3.38Å; H296-L308 HydrophobicContact CB-CB 4.49Å; H296-L308 PolarHBondContact CE1-O 2.98Å; H296-L308 PolarHBondContact ND1-O 3.35Å; H296-L310 HydrophobicContact CB-CD2 3.87Å; H296-L310 HydrophobicContact CB-CG 4.31Å; H296-L310 WeakPolarHBondContact CD2-CD1 3.23Å; H296-L310 WeakPolarHBondContact NE2-CD1 3.46Å |
| 297 | A | 80.7 | Confident | 79 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 22% | 0.223 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A136 M293 L294 S301 | A136-A297 HydrophobicContact CB-CB 4.11Å; M293-A297 WeakPolarHBondContact O-CB 3.39Å; M293-A297 PolarHBondContact O-N 3.16Å; L294-A297 PolarHBondContact O-N 2.85Å; L294-A297 VanDerWaalsContact O-N 3.08Å; A297-S301 PolarHBondContact O-N 3.03Å |
| 298 | L | 81.6 | Confident | 77.9 | Confident | 95 Ų | 95 | 66.3 Ų | 66.3 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.8 | -47.5 | 177 | -68.5 | 176.6 | 0 | 0 | 0 | 111.6 | L294 A295 H296 H300 S301 | L294-L298 HydrophobicContact CD1-CD1 4.01Å; L294-L298 HydrophobicContact CD1-CG 4.02Å; L294-L298 HydrophobicContact CG-CD1 3.99Å; L294-L298 HydrophobicContact CG-CG 4.35Å; L294-L298 WeakPolarHBondContact O-CG 3.31Å; L294-L298 PolarHBondContact O-N 2.86Å; A295-L298 PolarHBondContact O-N 3.06Å; H296-L298 VanDerWaalsContact C-N 3.33Å; H296-L298 PolarHBondContact O-N 3.39Å; L298-H300 VanDerWaalsContact C-N 3.3Å; L298-H300 PolarHBondContact O-N 3.49Å; L298-S301 WeakPolarHBondContact O-CB 3.08Å; L298-S301 PolarHBondContact O-N 2.88Å; L298-S301 PolarHBondContact O-OG 2.95Å |
| 299 | L | 78.5 | Confident | 77 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 36% | 0.356 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.1 | -34.4 | -180 | -71.2 | 168.5 | 0 | 0 | 0 | 112.1 | A295 H296 S301 G303 L306 L308 | A295-L299 WeakPolarHBondContact O-CB 3.28Å; A295-L299 VanDerWaalsContact O-CG 3.29Å; A295-L299 WeakPolarHBondContact O-CG 3.26Å; A295-L299 PolarHBondContact O-N 2.62Å; H296-L299 PolarHBondContact O-N 3.2Å; L299-S301 PolarHBondContact O-N 3.31Å; L299-G303 VanDerWaalsContact O-O 3.11Å; L299-L306 HydrophobicContact CD1-CD2 4.47Å; L299-L308 HydrophobicContact CD1-CD1 3.47Å; L299-L308 VanDerWaalsContact CD1-CD1 3.47Å |
| 300 | H | 72 | Confident | 76 | Confident | 85 Ų | 85 | 67.2 Ų | 67.2 | 39% | 0.394 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.4 | -23.2 | 174.7 | -165 | 79.7 | 0 | 0 | 0 | 112.7 | H296 L298 | H296-H300 VanDerWaalsContact O-CB 3.26Å; H296-H300 WeakPolarHBondContact O-CB 3.34Å; H296-H300 PolarHBondContact O-N 3.38Å; L298-H300 VanDerWaalsContact C-N 3.3Å; L298-H300 PolarHBondContact O-N 3.49Å |
| 301 | S | 69.4 | Low | 74.9 | Confident | 87 Ų | 87 | 69 Ų | 69 | 61% | 0.608 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.3 | -28.5 | -177.7 | 76.4 | 0 | 0 | 0 | 0 | 114.1 | A297 L298 L299 | A297-S301 PolarHBondContact O-N 3.03Å; L298-S301 WeakPolarHBondContact O-CB 3.08Å; L298-S301 PolarHBondContact O-N 2.88Å; L298-S301 PolarHBondContact O-OG 2.95Å; L299-S301 PolarHBondContact O-N 3.31Å |
| 302 | E | 65.4 | Low | 74.1 | Confident | 183 Ų | 183 | 74.9 Ų | 74.9 | 86% | 0.855 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -95.5 | -2.3 | -177.1 | -62.8 | -171.1 | 169 | 0 | 0 | 113.5 | ||
| 303 | G | 61.8 | Low | 73.5 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 26% | 0.258 | 41% | 0.406 | S | S | . | . | trans | 125.2 | 161.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L299 L305 | L299-G303 VanDerWaalsContact O-O 3.11Å; G303-L305 PolarHBondContact O-N 2.83Å | ||
| 304 | P | 60.6 | Low | 72.4 | Confident | 109 Ų | 109 | 73.2 Ų | 73.2 | 71% | 0.708 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -75.1 | 14.2 | -170 | 31.2 | -36.7 | 0 | 0 | 0 | 114.9 | L306 | P304-L306 PolarHBondContact O-N 3.24Å; P304-L306 VanDerWaalsContact O-N 3.11Å |
| 305 | L | 57.9 | Low | 71.8 | Confident | 173 Ų | 173 | 75.4 Ų | 75.4 | 91% | 0.906 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -59.3 | -28 | -175.5 | -70.2 | 172.3 | 0 | 0 | 0 | 112.7 | G303 | G303-L305 PolarHBondContact O-N 2.83Š|
| 306 | L | 62.5 | Low | 71.1 | Confident | 113 Ų | 113 | 77.8 Ų | 77.8 | 59% | 0.592 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -147.4 | 73.1 | 176.6 | -157 | 73.2 | 0 | 0 | 0 | 111.3 | L299 P304 L308 | L299-L306 HydrophobicContact CD1-CD2 4.47Å; P304-L306 PolarHBondContact O-N 3.24Å; P304-L306 VanDerWaalsContact O-N 3.11Å; L306-L308 HydrophobicContact CD2-CD1 4.42Å; L306-L308 HydrophobicContact CG-CD1 4.3Å; L306-L308 PolarHBondContact O-N 3.24Å |
| 307 | S | 65.7 | Low | 70.5 | Confident | 72 Ų | 72 | 79.5 Ų | 79.5 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | trans | -77.8 | 108 | 172.9 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 308 | L | 73.1 | Confident | 70.2 | Confident | 45 Ų | 45 | 83.8 Ų | 83.8 | 24% | 0.236 | 46% | 0.462 | C | S | . | . | trans | -67.2 | 138.2 | 169.8 | -89.4 | 69.9 | 0 | 0 | 0 | 109.9 | Y292 H296 L299 L306 L310 | Y292-L308 HydrophobicContact CD2-CD2 4.25Å; Y292-L308 HydrophobicContact CE2-CD2 3.61Å; H296-L308 HydrophobicContact CB-CB 4.49Å; H296-L308 PolarHBondContact CE1-O 2.98Å; H296-L308 PolarHBondContact ND1-O 3.35Å; L299-L308 HydrophobicContact CD1-CD1 3.47Å; L299-L308 VanDerWaalsContact CD1-CD1 3.47Å; L306-L308 HydrophobicContact CD2-CD1 4.42Å; L306-L308 HydrophobicContact CG-CD1 4.3Å; L306-L308 PolarHBondContact O-N 3.24Å; L308-L310 PolarHBondContact O-N 3.2Å | ||
| 309 | P | 75.3 | Confident | 69.8 | Low | 100 Ų | 100 | 86.7 Ų | 86.7 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | trans | -77.2 | 120.7 | -178.6 | 28.9 | -33.1 | 0 | 0 | 0 | 111.7 | Y292 G311 | Y292-P309 PolarHBondContact OH-O 2.85Å; P309-G311 PolarHBondContact O-N 2.72Å | ||
| 310 | L | 71.8 | Confident | 69.4 | Low | 9 Ų | 9 | 90 Ų | 90 | 5% | 0.047 | 49% | 0.49 | C | S | . | . | trans | -75.4 | -4.5 | 168.8 | -69.4 | -180 | 0 | 0 | 0 | 113.6 | C132 N244 V246 Y292 M293 H296 L308 | C132-L310 HydrophobicContact CB-CD1 4.29Å; N244-L310 HydrophobicContact CB-CB 4.29Å; V246-L310 HydrophobicContact CB-CD2 4.41Å; V246-L310 VanDerWaalsContact CG2-O 3.28Å; V246-L310 WeakPolarHBondContact CG2-O 3.48Å; V246-L310 PolarHBondContact N-O 3.32Å; V246-L310 VanDerWaalsContact N-O 3.17Å; Y292-L310 HydrophobicContact CD1-CD2 4.44Å; Y292-L310 HydrophobicContact CE1-CD2 4.18Å; M293-L310 HydrophobicContact CG-CD2 4Å; H296-L310 HydrophobicContact CB-CD2 3.87Å; H296-L310 HydrophobicContact CB-CG 4.31Å; H296-L310 WeakPolarHBondContact CD2-CD1 3.23Å; H296-L310 WeakPolarHBondContact NE2-CD1 3.46Å; L308-L310 PolarHBondContact O-N 3.2Å | ||
| 311 | G | 69.4 | Low | 69.2 | Low | 38 Ų | 38 | 96.9 Ų | 96.9 | 39% | 0.392 | 52% | 0.519 | S | S | . | . | trans | 76.8 | 158.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P309 | P309-G311 PolarHBondContact O-N 2.72Š| ||
| 312 | R | 73.7 | Confident | 69.2 | Low | 187 Ų | 187 | 97.4 Ų | 97.4 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | trans | -71.2 | 171.6 | 172.1 | -68.3 | -173.6 | -178.3 | 177.7 | 0.5 | 110.6 | T245 V317 | T245-R312 WeakPolarHBondContact CB-O 3.5Å; T245-R312 PolarHBondContact N-O 2.74Å; T245-R312 VanDerWaalsContact N-O 3.15Å; T245-R312 PolarHBondContact OG1-O 3.16Å; R312-V317 HydrophobicContact CB-CG2 4.28Å | ||
| 313 | S | 77.6 | Confident | 69.4 | Low | 11 Ų | 11 | 92.8 Ų | 92.8 | 8% | 0.077 | 50% | 0.497 | C | S | . | . | trans | -55.6 | 139.7 | 166.2 | 165.9 | 0 | 0 | 0 | 0 | 109.7 | P242 I315 D316 V317 | P242-S313 WeakPolarHBondContact CA-OG 3.39Å; P242-S313 WeakPolarHBondContact O-CB 3.37Å; P242-S313 PolarHBondContact O-OG 2.88Å; S313-I315 PolarHBondContact O-N 3.29Å; S313-I315 PolarHBondContact OG-N 3.21Å; S313-D316 PolarHBondContact O-N 3.16Å; S313-V317 WeakPolarHBondContact O-CG2 3.47Å; S313-V317 PolarHBondContact O-N 3.2Å | ||
| 314 | L | 67.3 | Low | 69.8 | Low | 32 Ų | 32 | 96.6 Ų | 96.6 | 17% | 0.168 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -67.3 | -29 | 177.4 | -82.9 | 178.3 | 0 | 0 | 0 | 112.1 | A241 T245 F248 V317 I318 | A241-L314 PolarHBondContact O-N 3.2Å; T245-L314 HydrophobicContact CG2-CD2 4.11Å; T245-L314 HydrophobicContact CG2-CG 4.46Å; F248-L314 HydrophobicContact CB-CD1 3.98Å; F248-L314 HydrophobicContact CD1-CD1 3.08Å; F248-L314 HydrophobicContact CD1-CG 4.44Å; F248-L314 HydrophobicContact CD2-CD1 4.04Å; F248-L314 HydrophobicContact CE1-CD1 3.37Å; F248-L314 HydrophobicContact CE2-CD1 4.28Å; F248-L314 HydrophobicContact CG-CD1 3.42Å; F248-L314 VanDerWaalsContact CG-CD1 3.42Å; F248-L314 HydrophobicContact CZ-CD1 3.97Å; L314-V317 PolarHBondContact O-N 3.12Å; L314-I318 VanDerWaalsContact O-CG1 3.28Å; L314-I318 WeakPolarHBondContact O-CG1 3.4Å; L314-I318 PolarHBondContact O-N 3.2Å |
| 315 | I | 73.6 | Confident | 70.4 | Confident | 71 Ų | 71 | 95.9 Ų | 95.9 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 176.8 | -69.2 | 160.1 | 0 | 0 | 0 | 109.3 | P242 S313 V317 I318 E319 | P242-I315 HydrophobicContact CB-CD1 3.8Å; P242-I315 HydrophobicContact CG-CD1 4.44Å; S313-I315 PolarHBondContact O-N 3.29Å; S313-I315 PolarHBondContact OG-N 3.21Å; I315-V317 PolarHBondContact O-N 2.92Å; I315-I318 PolarHBondContact O-N 2.85Å; I315-I318 VanDerWaalsContact O-N 3.16Å; I315-E319 HydrophobicContact CG2-CG 4.32Å; I315-E319 WeakPolarHBondContact O-CB 3.34Å; I315-E319 WeakPolarHBondContact O-CG 3.49Å; I315-E319 PolarHBondContact O-N 3.11Å |
| 316 | D | 71.2 | Confident | 71.1 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 47% | 0.465 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -32.9 | 175.9 | -57.2 | 6.5 | 0 | 0 | 0 | 112 | S313 L320 | S313-D316 PolarHBondContact O-N 3.16Å; D316-L320 PolarHBondContact O-N 2.89Å |
| 317 | V | 71 | Confident | 71.7 | Confident | 52 Ų | 52 | 89.6 Ų | 89.6 | 32% | 0.315 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.1 | -43.1 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | R312 S313 L314 I315 L320 F321 | R312-V317 HydrophobicContact CB-CG2 4.28Å; S313-V317 WeakPolarHBondContact O-CG2 3.47Å; S313-V317 PolarHBondContact O-N 3.2Å; L314-V317 PolarHBondContact O-N 3.12Å; I315-V317 PolarHBondContact O-N 2.92Å; V317-L320 PolarHBondContact O-N 2.82Å; V317-F321 HydrophobicContact CG1-CD2 4.4Å; V317-F321 HydrophobicContact CG1-CE2 4.05Å; V317-F321 WeakPolarHBondContact O-CD2 3.48Å |
| 318 | I | 75.2 | Confident | 72.2 | Confident | 118 Ų | 118 | 90.9 Ų | 90.9 | 61% | 0.605 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -68.6 | -40.4 | 178.9 | -68.3 | 166.1 | 0 | 0 | 0 | 111 | L314 I315 L320 F321 | L314-I318 VanDerWaalsContact O-CG1 3.28Å; L314-I318 WeakPolarHBondContact O-CG1 3.4Å; L314-I318 PolarHBondContact O-N 3.2Å; I315-I318 PolarHBondContact O-N 2.85Å; I315-I318 VanDerWaalsContact O-N 3.16Å; I318-L320 PolarHBondContact O-N 3Å; I318-F321 PolarHBondContact O-N 3.35Å |
| 319 | E | 72.6 | Confident | 72.1 | Confident | 155 Ų | 155 | 94.4 Ų | 94.4 | 72% | 0.724 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.6 | -19 | 177 | -75 | -175.2 | 179 | 0 | 0 | 113.4 | I315 | I315-E319 HydrophobicContact CG2-CG 4.32Å; I315-E319 WeakPolarHBondContact O-CB 3.34Å; I315-E319 WeakPolarHBondContact O-CG 3.49Å; I315-E319 PolarHBondContact O-N 3.11Å |
| 320 | L | 70.3 | Confident | 71.8 | Confident | 139 Ų | 139 | 93.9 Ų | 93.9 | 73% | 0.728 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -17 | 176.1 | -158.4 | 81 | 0 | 0 | 0 | 113.1 | D316 V317 I318 | D316-L320 PolarHBondContact O-N 2.89Å; V317-L320 PolarHBondContact O-N 2.82Å; I318-L320 PolarHBondContact O-N 3Å |
| 321 | F | 68.1 | Low | 71.8 | Confident | 228 Ų | 228 | 101.6 Ų | 101.6 | 100% | 1 | 50% | 0.504 | S | S | * | . | trans | -101 | 0 | -179.5 | -76.9 | -70.9 | 0 | 0 | 0 | 111.8 | V317 I318 | V317-F321 HydrophobicContact CG1-CD2 4.4Å; V317-F321 HydrophobicContact CG1-CE2 4.05Å; V317-F321 WeakPolarHBondContact O-CD2 3.48Å; I318-F321 PolarHBondContact O-N 3.35Å |
Retrieved 321 of 321 residues in 116.7 ms
(Link to these results)