| 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 | 42.9 | Very low | 55.8 | Low | 240 Ų | 240 | 169.7 Ų | 169.7 | 100% | 1.182 | 75% | 0.754 | S | S | * | * | 0 | 85.2 | 0 | -160.9 | 142.3 | 108.2 | 0 | 0 | 108.5 | |||||
| 2 | Y | 55.1 | Low | 55.8 | Low | 213 Ų | 213 | 164.5 Ų | 164.5 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | trans | -144.5 | 55.3 | -172 | -112.2 | -77.6 | 0 | 0 | 0 | 111.7 | ||||
| 3 | W | 54.3 | Low | 56 | Low | 237 Ų | 237 | 162.8 Ų | 162.8 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | trans | -117.4 | 10.9 | -178.7 | -86.1 | 24.9 | 0 | 0 | 0 | 114 | ||||
| 4 | R | 56.5 | Low | 56.2 | Low | 236 Ų | 236 | 156.9 Ų | 156.9 | 89% | 0.891 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -81.8 | -28.9 | -176.3 | -89.5 | -177.2 | 165 | -166 | -4.6 | 117.5 | ||
| 5 | P | 56 | Low | 56.3 | Low | 81 Ų | 81 | 159.3 Ų | 159.3 | 53% | 0.526 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -84.8 | -15.8 | -172.5 | 30 | -30.5 | 0 | 0 | 0 | 114.4 | ||
| 6 | L | 55.8 | Low | 56.4 | Low | 127 Ų | 127 | 157.5 Ų | 157.5 | 67% | 0.665 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -73.5 | -31.1 | -179.4 | -84.5 | 156 | 0 | 0 | 0 | 113.3 | L10 | L6-L10 PolarHBondContact O-N 3.22Å |
| 7 | W | 58.2 | Low | 56.2 | Low | 213 Ų | 213 | 157.4 Ų | 157.4 | 81% | 0.807 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -74.9 | -26.3 | -180 | -98.1 | 12.7 | 0 | 0 | 0 | 114.3 | W11 | W7-W11 PolarHBondContact O-N 3.06Å |
| 8 | G | 60.5 | Low | 55.8 | Low | 43 Ų | 43 | 158.2 Ų | 158.2 | 44% | 0.443 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -67.8 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 9 | F | 56.3 | Low | 55.7 | Low | 167 Ų | 167 | 157.5 Ų | 157.5 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -74.1 | -33.1 | 177.1 | -83 | -82.6 | 0 | 0 | 0 | 113 | W11 L12 | F9-W11 VanDerWaalsContact C-N 3.26Å; F9-W11 PolarHBondContact O-N 2.96Å; F9-L12 PolarHBondContact O-N 2.8Å |
| 10 | L | 59.1 | Low | 55.4 | Low | 97 Ų | 97 | 156.6 Ų | 156.6 | 51% | 0.508 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -65.1 | -28.6 | 174.9 | -96.7 | 148.1 | 0 | 0 | 0 | 113 | L6 W13 | L6-L10 PolarHBondContact O-N 3.22Å; L10-W13 HydrophobicContact CD2-CE3 4Å; L10-W13 HydrophobicContact CD2-CZ3 4.18Å; L10-W13 HydrophobicContact CG-CE3 4.39Å |
| 11 | W | 59 | Low | 55.6 | Low | 213 Ų | 213 | 152.9 Ų | 152.9 | 81% | 0.807 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -82 | -18.9 | -176.4 | -146.2 | 4.9 | 0 | 0 | 0 | 114 | W7 F9 P14 | W7-W11 PolarHBondContact O-N 3.06Å; F9-W11 VanDerWaalsContact C-N 3.26Å; F9-W11 PolarHBondContact O-N 2.96Å; W11-P14 WeakPolarHBondContact O-CD 3.49Å |
| 12 | L | 55.9 | Low | 56.6 | Low | 107 Ų | 107 | 146 Ų | 146 | 56% | 0.56 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -83.9 | -15.4 | 174.2 | -78.9 | 162 | 0 | 0 | 0 | 113.2 | F9 Y15 L16 | F9-L12 PolarHBondContact O-N 2.8Å; L12-Y15 PolarHBondContact O-N 3.27Å; L12-L16 PolarHBondContact O-N 3.48Å |
| 13 | W | 57.9 | Low | 57.7 | Low | 143 Ų | 143 | 139.5 Ų | 139.5 | 54% | 0.542 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -59.2 | -45 | -179.8 | -127.2 | -30.2 | 0 | 0 | 0 | 114.8 | L10 Y15 L16 F17 | L10-W13 HydrophobicContact CD2-CE3 4Å; L10-W13 HydrophobicContact CD2-CZ3 4.18Å; L10-W13 HydrophobicContact CG-CE3 4.39Å; W13-Y15 PolarHBondContact O-N 3.31Å; W13-L16 PolarHBondContact O-N 3.21Å; W13-F17 AromaticContact CD1-CD2 3.75Å; W13-F17 AromaticContact CD1-CE2 3.25Å; W13-F17 HydrophobicContact CG-CD2 4.49Å; W13-F17 HydrophobicContact CG-CE2 4.12Å; W13-F17 AromaticContact NE1-CE2 3.49Å; W13-F17 VanDerWaalsContact O-CD2 3.24Å; W13-F17 WeakPolarHBondContact O-CD2 2.95Å; W13-F17 PolarHBondContact O-N 2.9Å |
| 14 | P | 59.5 | Low | 59.1 | Low | 80 Ų | 80 | 131.8 Ų | 131.8 | 52% | 0.519 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67 | -22.3 | 179.6 | 23.6 | -32.5 | 0 | 0 | 0 | 113.7 | W11 | W11-P14 WeakPolarHBondContact O-CD 3.49Å |
| 15 | Y | 57.8 | Low | 60.4 | Low | 192 Ų | 192 | 128.1 Ų | 128.1 | 75% | 0.753 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -76.4 | -30 | 174.9 | -80 | -81.4 | 0 | 0 | 0 | 112.8 | L12 W13 F17 | L12-Y15 PolarHBondContact O-N 3.27Å; W13-Y15 PolarHBondContact O-N 3.31Å; Y15-F17 VanDerWaalsContact C-N 3.34Å |
| 16 | L | 57.1 | Low | 62 | Low | 131 Ų | 131 | 129.1 Ų | 129.1 | 69% | 0.686 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.3 | -21.3 | 174.3 | -66.4 | 173.8 | 0 | 0 | 0 | 112.8 | L12 W13 | L12-L16 PolarHBondContact O-N 3.48Å; W13-L16 PolarHBondContact O-N 3.21Å |
| 17 | F | 54 | Low | 63.7 | Low | 155 Ų | 155 | 123.6 Ų | 123.6 | 68% | 0.68 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -1 | 176.6 | -79.3 | -67.8 | 0 | 0 | 0 | 114.3 | W13 Y15 I19 | W13-F17 AromaticContact CD1-CD2 3.75Å; W13-F17 AromaticContact CD1-CE2 3.25Å; W13-F17 HydrophobicContact CG-CD2 4.49Å; W13-F17 HydrophobicContact CG-CE2 4.12Å; W13-F17 AromaticContact NE1-CE2 3.49Å; W13-F17 VanDerWaalsContact O-CD2 3.24Å; W13-F17 WeakPolarHBondContact O-CD2 2.95Å; W13-F17 PolarHBondContact O-N 2.9Å; Y15-F17 VanDerWaalsContact C-N 3.34Å; F17-I19 PolarHBondContact O-N 3.42Å |
| 18 | Y | 48 | Very low | 65.3 | Low | 172 Ų | 172 | 115.3 Ų | 115.3 | 68% | 0.675 | 56% | 0.564 | S | S | * | * | trans | -80.4 | 51.4 | 171.2 | -152.3 | -89.1 | 0 | 0 | 0 | 111.1 | Q20 | Y18-Q20 HydrophobicContact CE1-CB 4.17Å; Y18-Q20 PolarHBondContact O-N 3.36Å; Y18-Q20 PolarHBondContact OH-OE1 3.45Å | ||
| 19 | I | 55.3 | Low | 66.9 | Low | 145 Ų | 145 | 116 Ų | 116 | 74% | 0.744 | 56% | 0.562 | S | S | * | * | trans | -85.3 | 94.3 | 157.2 | -59.9 | 177.1 | 0 | 0 | 0 | 103.7 | F17 A21 | F17-I19 PolarHBondContact O-N 3.42Å; I19-A21 PolarHBondContact O-N 3.39Å | ||
| 20 | Q | 49.6 | Very low | 68.8 | Low | 139 Ų | 139 | 110.6 Ų | 110.6 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | trans | -64.7 | 92.2 | 174 | -170.2 | 159.8 | -4 | 0 | 0 | 107.2 | Y18 V22 | Y18-Q20 HydrophobicContact CE1-CB 4.17Å; Y18-Q20 PolarHBondContact O-N 3.36Å; Y18-Q20 PolarHBondContact OH-OE1 3.45Å; Q20-V22 PolarHBondContact O-N 3.5Å; Q20-V22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | A | 59.2 | Low | 70.5 | Confident | 80 Ų | 80 | 106 Ų | 106 | 66% | 0.661 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 123.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | I19 P23 | I19-A21 PolarHBondContact O-N 3.39Å; A21-P23 WeakPolarHBondContact O-CD 3.41Å; A21-P23 VanDerWaalsContact O-N 3.1Å |
| 22 | V | 63.5 | Low | 72.3 | Confident | 96 Ų | 96 | 97.6 Ų | 97.6 | 58% | 0.582 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 122.7 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 106.5 | Q20 I24 K26 V27 | Q20-V22 PolarHBondContact O-N 3.5Å; Q20-V22 VanDerWaalsContact O-N 3.13Å; V22-I24 PolarHBondContact O-N 2.8Å; V22-K26 HydrophobicContact CG1-CB 4.49Å; V22-K26 HydrophobicContact CG1-CG 4.48Å; V22-V27 HydrophobicContact CB-CG2 4.36Å; V22-V27 HydrophobicContact CG1-CG2 3.65Å |
| 23 | P | 79.2 | Confident | 74.3 | Confident | 75 Ų | 75 | 96.1 Ų | 96.1 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -62 | 129.8 | -173.9 | 18.2 | -25.3 | 0 | 0 | 0 | 108.6 | A21 Q25 K26 V27 | A21-P23 WeakPolarHBondContact O-CD 3.41Å; A21-P23 VanDerWaalsContact O-N 3.1Å; P23-Q25 PolarHBondContact O-N 3.27Å; P23-K26 HydrophobicContact CB-CB 4.49Å; P23-K26 HydrophobicContact CG-CB 3.78Å; P23-K26 WeakPolarHBondContact O-CA 3.42Å; P23-K26 VanDerWaalsContact O-CB 3.28Å; P23-K26 WeakPolarHBondContact O-CB 3.2Å; P23-K26 PolarHBondContact O-N 3.3Å; P23-V27 PolarHBondContact O-N 3.17Å |
| 24 | I | 82.2 | Confident | 76.2 | Confident | 76 Ų | 76 | 90.7 Ų | 90.7 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -50.4 | -38.5 | -179 | -56.4 | -171.7 | 0 | 0 | 0 | 111 | V22 K26 V27 Q28 L111 | V22-I24 PolarHBondContact O-N 2.8Å; I24-K26 VanDerWaalsContact C-N 3.28Å; I24-K26 PolarHBondContact O-N 2.91Å; I24-V27 PolarHBondContact O-N 3.38Å; I24-Q28 WeakPolarHBondContact O-CB 3.28Å; I24-Q28 PolarHBondContact O-N 2.72Å; I24-L111 HydrophobicContact CG2-CD1 4Å |
| 25 | Q | 85 | Confident | 78 | Confident | 158 Ų | 158 | 87 Ų | 87 | 74% | 0.738 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59 | -36.1 | 175.9 | -67 | 179.1 | -11 | 0 | 0 | 113.1 | P23 S29 | P23-Q25 PolarHBondContact O-N 3.27Å; Q25-S29 VanDerWaalsContact O-CB 3.26Å; Q25-S29 WeakPolarHBondContact O-CB 3.12Å; Q25-S29 PolarHBondContact O-N 2.95Å |
| 26 | K | 89.6 | Confident | 79.9 | Confident | 103 Ų | 103 | 83.7 Ų | 83.7 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.2 | -47.3 | 176.5 | 177.9 | 57.4 | 173.9 | 157.6 | 0 | 111 | V22 P23 I24 Q28 S29 D30 | V22-K26 HydrophobicContact CG1-CB 4.49Å; V22-K26 HydrophobicContact CG1-CG 4.48Å; P23-K26 HydrophobicContact CB-CB 4.49Å; P23-K26 HydrophobicContact CG-CB 3.78Å; P23-K26 WeakPolarHBondContact O-CA 3.42Å; P23-K26 VanDerWaalsContact O-CB 3.28Å; P23-K26 WeakPolarHBondContact O-CB 3.2Å; P23-K26 PolarHBondContact O-N 3.3Å; I24-K26 VanDerWaalsContact C-N 3.28Å; I24-K26 PolarHBondContact O-N 2.91Å; K26-Q28 VanDerWaalsContact C-N 3.31Å; K26-Q28 PolarHBondContact O-N 3.34Å; K26-S29 WeakPolarHBondContact O-CB 3.49Å; K26-S29 PolarHBondContact O-N 3.41Å; K26-S29 VanDerWaalsContact O-N 3.15Å; K26-D30 WeakPolarHBondContact CD-OD2 3.22Å; K26-D30 WeakPolarHBondContact CE-OD1 3.15Å; K26-D30 WeakPolarHBondContact CE-OD2 3.23Å; K26-D30 IonicContact NZ-OD1 2.97Å; K26-D30 PolarHBondContact NZ-OD1 3.46Å; K26-D30 IonicContact NZ-OD2 2.59Å; K26-D30 PolarHBondContact NZ-OD2 3.34Å; K26-D30 WeakPolarHBondContact O-CB 3.38Å; K26-D30 VanDerWaalsContact O-CG 3.27Å; K26-D30 PolarHBondContact O-N 2.95Å |
| 27 | V | 91 | Very high | 81.8 | Confident | 10 Ų | 10 | 80.4 Ų | 80.4 | 6% | 0.061 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 176.2 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | V22 P23 I24 S29 D30 T31 L107 L110 L111 | V22-V27 HydrophobicContact CB-CG2 4.36Å; V22-V27 HydrophobicContact CG1-CG2 3.65Å; P23-V27 PolarHBondContact O-N 3.17Å; I24-V27 PolarHBondContact O-N 3.38Å; V27-S29 PolarHBondContact O-N 3.41Å; V27-D30 PolarHBondContact O-N 3.35Å; V27-T31 WeakPolarHBondContact O-CB 3.25Å; V27-T31 PolarHBondContact O-N 2.77Å; V27-T31 PolarHBondContact O-OG1 2.86Å; V27-L107 HydrophobicContact CG1-CD2 4.37Å; V27-L110 HydrophobicContact CG1-CB 3.94Å; V27-L111 HydrophobicContact CG1-CB 4.17Å; V27-L111 HydrophobicContact CG1-CD1 4.49Å |
| 28 | Q | 92.6 | Very high | 83.7 | Confident | 39 Ų | 39 | 73 Ų | 73 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.7 | -171.5 | -176 | -0.5 | 0 | 0 | 112.2 | I24 K26 T31 K32 L111 L161 | I24-Q28 WeakPolarHBondContact O-CB 3.28Å; I24-Q28 PolarHBondContact O-N 2.72Å; K26-Q28 VanDerWaalsContact C-N 3.31Å; K26-Q28 PolarHBondContact O-N 3.34Å; Q28-T31 WeakPolarHBondContact O-CB 3.25Å; Q28-T31 PolarHBondContact O-N 2.8Å; Q28-K32 VanDerWaalsContact O-CG 3.3Å; Q28-K32 WeakPolarHBondContact O-CG 3.44Å; Q28-K32 PolarHBondContact O-N 2.96Å; Q28-L111 HydrophobicContact CB-CD1 4.23Å; Q28-L161 PolarHBondContact NE2-O 2.99Å |
| 29 | S | 93.7 | Very high | 86 | Confident | 58 Ų | 58 | 65.8 Ų | 65.8 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | Q25 K26 V27 K32 T33 | Q25-S29 VanDerWaalsContact O-CB 3.26Å; Q25-S29 WeakPolarHBondContact O-CB 3.12Å; Q25-S29 PolarHBondContact O-N 2.95Å; K26-S29 WeakPolarHBondContact O-CB 3.49Å; K26-S29 PolarHBondContact O-N 3.41Å; K26-S29 VanDerWaalsContact O-N 3.15Å; V27-S29 PolarHBondContact O-N 3.41Å; S29-K32 PolarHBondContact O-N 3.43Å; S29-T33 WeakPolarHBondContact O-CB 3.44Å; S29-T33 PolarHBondContact O-N 3.42Å; S29-T33 PolarHBondContact O-OG1 3.21Å |
| 30 | D | 95.2 | Very high | 87.8 | Confident | 53 Ų | 53 | 62.5 Ų | 62.5 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 179.3 | -67.9 | -16.1 | 0 | 0 | 0 | 110.4 | K26 V27 K32 T33 L34 L107 | K26-D30 WeakPolarHBondContact CD-OD2 3.22Å; K26-D30 WeakPolarHBondContact CE-OD1 3.15Å; K26-D30 WeakPolarHBondContact CE-OD2 3.23Å; K26-D30 IonicContact NZ-OD1 2.97Å; K26-D30 PolarHBondContact NZ-OD1 3.46Å; K26-D30 IonicContact NZ-OD2 2.59Å; K26-D30 PolarHBondContact NZ-OD2 3.34Å; K26-D30 WeakPolarHBondContact O-CB 3.38Å; K26-D30 VanDerWaalsContact O-CG 3.27Å; K26-D30 PolarHBondContact O-N 2.95Å; V27-D30 PolarHBondContact O-N 3.35Å; D30-K32 PolarHBondContact O-N 3.18Å; D30-T33 PolarHBondContact O-N 2.92Å; D30-L34 WeakPolarHBondContact O-CB 3.24Å; D30-L34 PolarHBondContact O-N 3.48Å; D30-L107 HydrophobicContact CB-CD1 4.47Å; D30-L107 HydrophobicContact CB-CD2 4.39Å |
| 31 | T | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.8 | -51.4 | 172.4 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | V27 Q28 T33 L34 I35 L104 L108 L161 | V27-T31 WeakPolarHBondContact O-CB 3.25Å; V27-T31 PolarHBondContact O-N 2.77Å; V27-T31 PolarHBondContact O-OG1 2.86Å; Q28-T31 WeakPolarHBondContact O-CB 3.25Å; Q28-T31 PolarHBondContact O-N 2.8Å; T31-T33 VanDerWaalsContact C-N 3.32Å; T31-T33 PolarHBondContact O-N 3.14Å; T31-L34 PolarHBondContact O-N 2.95Å; T31-I35 HydrophobicContact CG2-CD1 4.21Å; T31-I35 WeakPolarHBondContact O-CG1 3.38Å; T31-I35 PolarHBondContact O-N 3.38Å; T31-L104 HydrophobicContact CG2-CD1 3.61Å; T31-L108 HydrophobicContact CG2-CD2 4.27Å; T31-L161 HydrophobicContact CG2-CD1 3.57Å |
| 32 | K | 96.7 | Very high | 91.4 | Very high | 38 Ų | 38 | 55 Ų | 55 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 178.5 | -71.1 | 175.6 | -177.3 | 176.2 | 0 | 112.4 | Q28 S29 D30 K36 L158 L161 D162 | Q28-K32 VanDerWaalsContact O-CG 3.3Å; Q28-K32 WeakPolarHBondContact O-CG 3.44Å; Q28-K32 PolarHBondContact O-N 2.96Å; S29-K32 PolarHBondContact O-N 3.43Å; D30-K32 PolarHBondContact O-N 3.18Å; K32-K36 WeakPolarHBondContact O-CG 3.49Å; K32-K36 PolarHBondContact O-N 3.27Å; K32-K36 VanDerWaalsContact O-N 3.08Å; K32-L158 HydrophobicContact CB-CD1 3.75Å; K32-L158 HydrophobicContact CG-CD1 3.81Å; K32-L161 HydrophobicContact CG-CB 4.45Å; K32-L161 HydrophobicContact CG-CD1 4.35Å; K32-D162 VanDerWaalsContact CE-OD1 3.3Å; K32-D162 WeakPolarHBondContact CE-OD1 3.4Å; K32-D162 IonicContact NZ-OD1 3.59Å; K32-D162 PolarHBondContact NZ-OD1 3.28Å |
| 33 | T | 97.6 | Very high | 92.6 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 46% | 0.46 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 179.4 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | S29 D30 T31 K36 T37 | S29-T33 WeakPolarHBondContact O-CB 3.44Å; S29-T33 PolarHBondContact O-N 3.42Å; S29-T33 PolarHBondContact O-OG1 3.21Å; D30-T33 PolarHBondContact O-N 2.92Å; T31-T33 VanDerWaalsContact C-N 3.32Å; T31-T33 PolarHBondContact O-N 3.14Å; T33-K36 PolarHBondContact O-N 3.06Å; T33-T37 WeakPolarHBondContact O-CB 3.31Å; T33-T37 PolarHBondContact O-N 3.39Å; T33-T37 PolarHBondContact O-OG1 3.26Å |
| 34 | L | 97.8 | Very high | 93 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 176.9 | -176.2 | 57.6 | 0 | 0 | 0 | 111.4 | D30 T31 K36 T37 I38 D100 N103 L104 L107 | D30-L34 WeakPolarHBondContact O-CB 3.24Å; D30-L34 PolarHBondContact O-N 3.48Å; T31-L34 PolarHBondContact O-N 2.95Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.05Å; L34-T37 WeakPolarHBondContact O-CA 3.41Å; L34-T37 WeakPolarHBondContact O-CB 3.23Å; L34-T37 PolarHBondContact O-N 2.98Å; L34-T37 VanDerWaalsContact O-N 3.07Å; L34-I38 HydrophobicContact CD1-CD1 4.39Å; L34-I38 HydrophobicContact CD1-CG1 4.38Å; L34-I38 HydrophobicContact CG-CD1 4.06Å; L34-I38 WeakPolarHBondContact O-CG1 3.38Å; L34-I38 PolarHBondContact O-N 3.35Å; L34-D100 HydrophobicContact CD1-CB 4.28Å; L34-N103 HydrophobicContact CD2-CB 3.76Å; L34-L104 HydrophobicContact CD2-CB 3.88Å; L34-L104 HydrophobicContact CD2-CD1 4.4Å; L34-L107 HydrophobicContact CB-CD1 4.35Å; L34-L107 HydrophobicContact CD2-CD1 3.84Å |
| 35 | I | 96.8 | Very high | 93 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.3 | -49.8 | 174.4 | -71.5 | 170 | 0 | 0 | 0 | 111.2 | T31 T37 I38 V39 L104 L154 M157 L158 L161 | T31-I35 HydrophobicContact CG2-CD1 4.21Å; T31-I35 WeakPolarHBondContact O-CG1 3.38Å; T31-I35 PolarHBondContact O-N 3.38Å; I35-T37 VanDerWaalsContact C-N 3.28Å; I35-T37 PolarHBondContact O-N 3.37Å; I35-I38 PolarHBondContact O-N 3.15Å; I35-V39 HydrophobicContact CG2-CG2 4.48Å; I35-V39 WeakPolarHBondContact O-CG2 3.21Å; I35-V39 PolarHBondContact O-N 3.18Å; I35-L104 HydrophobicContact CD1-CD1 4.15Å; I35-L104 HydrophobicContact CG1-CD1 3.67Å; I35-L104 HydrophobicContact CG1-CD2 3.75Å; I35-L104 HydrophobicContact CG1-CG 4.39Å; I35-L154 HydrophobicContact CG1-CD2 4.27Å; I35-L154 HydrophobicContact CG2-CB 4.06Å; I35-L154 HydrophobicContact CG2-CD2 4.34Å; I35-L154 VanDerWaalsContact CG2-O 3.29Å; I35-L154 WeakPolarHBondContact CG2-O 3.39Å; I35-M157 HydrophobicContact CD1-CB 4.19Å; I35-L158 HydrophobicContact CB-CD1 4.16Å; I35-L158 HydrophobicContact CD1-CD1 4.48Å; I35-L158 HydrophobicContact CG2-CB 4.02Å; I35-L158 HydrophobicContact CG2-CD1 3.97Å; I35-L158 HydrophobicContact CG2-CG 4.47Å; I35-L161 HydrophobicContact CD1-CD1 3.53Å |
| 36 | K | 97.4 | Very high | 92.4 | Very high | 122 Ų | 122 | 45.8 Ų | 45.8 | 53% | 0.53 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.5 | -38.4 | 177.6 | -71.9 | 173.9 | -178.2 | 179.5 | 0 | 112.4 | K32 T33 L34 V39 T40 L158 | K32-K36 WeakPolarHBondContact O-CG 3.49Å; K32-K36 PolarHBondContact O-N 3.27Å; K32-K36 VanDerWaalsContact O-N 3.08Å; T33-K36 PolarHBondContact O-N 3.06Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 3.05Å; K36-V39 PolarHBondContact O-N 3.39Å; K36-T40 WeakPolarHBondContact O-CB 3.4Å; K36-T40 PolarHBondContact O-N 3.28Å; K36-T40 PolarHBondContact O-OG1 3.03Å; K36-L158 HydrophobicContact CG-CD1 4.35Å; K36-L158 HydrophobicContact CG-CD2 4.17Å |
| 37 | T | 96.8 | Very high | 91.3 | Very high | 62 Ų | 62 | 48.3 Ų | 48.3 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 177 | -57.9 | 0 | 0 | 0 | 0 | 111 | T33 L34 I35 T40 R41 | T33-T37 WeakPolarHBondContact O-CB 3.31Å; T33-T37 PolarHBondContact O-N 3.39Å; T33-T37 PolarHBondContact O-OG1 3.26Å; L34-T37 WeakPolarHBondContact O-CA 3.41Å; L34-T37 WeakPolarHBondContact O-CB 3.23Å; L34-T37 PolarHBondContact O-N 2.98Å; L34-T37 VanDerWaalsContact O-N 3.07Å; I35-T37 VanDerWaalsContact C-N 3.28Å; I35-T37 PolarHBondContact O-N 3.37Å; T37-T40 PolarHBondContact O-N 3.17Å; T37-R41 PolarHBondContact O-N 3.14Å |
| 38 | I | 95.8 | Very high | 90 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 177.7 | -61.3 | 162.1 | 0 | 0 | 0 | 110.7 | L34 I35 T40 R41 I42 I97 D100 L101 L104 L154 | L34-I38 HydrophobicContact CD1-CD1 4.39Å; L34-I38 HydrophobicContact CD1-CG1 4.38Å; L34-I38 HydrophobicContact CG-CD1 4.06Å; L34-I38 WeakPolarHBondContact O-CG1 3.38Å; L34-I38 PolarHBondContact O-N 3.35Å; I35-I38 PolarHBondContact O-N 3.15Å; I38-T40 VanDerWaalsContact C-N 3.27Å; I38-T40 PolarHBondContact O-N 3.02Å; I38-R41 WeakPolarHBondContact O-CB 3.26Å; I38-R41 PolarHBondContact O-N 3.36Å; I38-R41 VanDerWaalsContact O-N 3.11Å; I38-I42 HydrophobicContact CG2-CD1 4Å; I38-I42 HydrophobicContact CG2-CG1 4.45Å; I38-I42 WeakPolarHBondContact O-CG1 3.23Å; I38-I42 PolarHBondContact O-N 3.1Å; I38-I97 HydrophobicContact CG2-CG2 4.09Å; I38-D100 HydrophobicContact CD1-CB 3.77Å; I38-D100 HydrophobicContact CG1-CB 3.52Å; I38-L101 HydrophobicContact CD1-CD2 4.15Å; I38-L101 HydrophobicContact CG2-CD2 4.5Å; I38-L104 HydrophobicContact CD1-CB 4.45Å; I38-L104 HydrophobicContact CD1-CD2 4.07Å; I38-L154 HydrophobicContact CB-CD1 3.97Å; I38-L154 HydrophobicContact CG2-CD1 3.41Å; I38-L154 VanDerWaalsContact CG2-CD1 3.41Å |
| 39 | V | 94.4 | Very high | 88.5 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 177.4 | 167.7 | 0 | 0 | 0 | 0 | 111.3 | I35 K36 I42 N43 Q151 L154 Q155 | I35-V39 HydrophobicContact CG2-CG2 4.48Å; I35-V39 WeakPolarHBondContact O-CG2 3.21Å; I35-V39 PolarHBondContact O-N 3.18Å; K36-V39 PolarHBondContact O-N 3.39Å; V39-I42 PolarHBondContact O-N 3.15Å; V39-N43 PolarHBondContact O-N 3.26Å; V39-N43 PolarHBondContact O-ND2 3.23Å; V39-Q151 HydrophobicContact CG1-CG 4.26Å; V39-L154 HydrophobicContact CG2-CB 3.8Å; V39-L154 HydrophobicContact CG2-CD1 4.15Å; V39-Q155 HydrophobicContact CG2-CG 4.5Å |
| 40 | T | 94.3 | Very high | 86.4 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | K36 T37 I38 I42 N43 D44 | K36-T40 WeakPolarHBondContact O-CB 3.4Å; K36-T40 PolarHBondContact O-N 3.28Å; K36-T40 PolarHBondContact O-OG1 3.03Å; T37-T40 PolarHBondContact O-N 3.17Å; I38-T40 VanDerWaalsContact C-N 3.27Å; I38-T40 PolarHBondContact O-N 3.02Å; T40-I42 VanDerWaalsContact C-N 3.32Å; T40-I42 PolarHBondContact O-N 3.37Å; T40-N43 WeakPolarHBondContact O-CB 3.44Å; T40-N43 PolarHBondContact O-N 3.23Å; T40-N43 VanDerWaalsContact O-N 3.16Å; T40-D44 PolarHBondContact O-N 3.26Å |
| 41 | R | 92.4 | Very high | 84.3 | Confident | 61 Ų | 61 | 56 Ų | 56 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 176.3 | -169 | 176.7 | -59.8 | 157.8 | 12.4 | 112.5 | T37 I38 D44 I45 Q96 I97 D100 | T37-R41 PolarHBondContact O-N 3.14Å; I38-R41 WeakPolarHBondContact O-CB 3.26Å; I38-R41 PolarHBondContact O-N 3.36Å; I38-R41 VanDerWaalsContact O-N 3.11Å; R41-D44 PolarHBondContact O-N 3.41Å; R41-I45 WeakPolarHBondContact O-CG1 3.39Å; R41-I45 PolarHBondContact O-N 2.93Å; R41-Q96 PolarHBondContact NH1-O 2.81Å; R41-Q96 VanDerWaalsContact NH1-O 3.14Å; R41-I97 HydrophobicContact CG-CD1 4.49Å; R41-I97 HydrophobicContact CG-CG1 4.22Å; R41-D100 IonicContact CZ-OD1 3.02Å; R41-D100 IonicContact CZ-OD2 2.95Å; R41-D100 IonicContact NE-OD2 3.95Å; R41-D100 IonicContact NH1-OD1 3.37Å; R41-D100 PolarHBondContact NH1-OD1 2.76Å; R41-D100 IonicContact NH1-OD2 2.69Å; R41-D100 PolarHBondContact NH1-OD2 3.03Å; R41-D100 IonicContact NH2-OD1 3.92Å; R41-D100 IonicContact NH2-OD2 3.28Å; R41-D100 PolarHBondContact NH2-OD2 3.43Å |
| 42 | I | 90.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 174.4 | -66.9 | 167.6 | 0 | 0 | 0 | 110.3 | I38 V39 T40 D44 I45 S46 I97 L147 L150 Q151 L154 | I38-I42 HydrophobicContact CG2-CD1 4Å; I38-I42 HydrophobicContact CG2-CG1 4.45Å; I38-I42 WeakPolarHBondContact O-CG1 3.23Å; I38-I42 PolarHBondContact O-N 3.1Å; V39-I42 PolarHBondContact O-N 3.15Å; T40-I42 VanDerWaalsContact C-N 3.32Å; T40-I42 PolarHBondContact O-N 3.37Å; I42-D44 VanDerWaalsContact C-N 3.3Å; I42-D44 PolarHBondContact O-N 3.46Å; I42-I45 WeakPolarHBondContact O-CB 3.41Å; I42-I45 PolarHBondContact O-N 3.2Å; I42-I45 VanDerWaalsContact O-N 3.07Å; I42-S46 PolarHBondContact O-N 3.49Å; I42-S46 PolarHBondContact O-OG 3.44Å; I42-I97 HydrophobicContact CG1-CD1 3.75Å; I42-L147 HydrophobicContact CG1-CD2 4.37Å; I42-L147 HydrophobicContact CG2-CB 4.11Å; I42-L150 HydrophobicContact CD1-CB 4.49Å; I42-L150 HydrophobicContact CD1-CD2 3.96Å; I42-L150 HydrophobicContact CD1-CG 4Å; I42-Q151 HydrophobicContact CD1-CB 4.14Å; I42-Q151 HydrophobicContact CG2-CB 4.14Å; I42-L154 HydrophobicContact CD1-CD1 4.03Å |
| 43 | N | 88.8 | Confident | 79.7 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.5 | -42.1 | 176.4 | -77 | -34.6 | 0 | 0 | 0 | 112.3 | V39 T40 I45 S46 H47 Q151 | V39-N43 PolarHBondContact O-N 3.26Å; V39-N43 PolarHBondContact O-ND2 3.23Å; T40-N43 WeakPolarHBondContact O-CB 3.44Å; T40-N43 PolarHBondContact O-N 3.23Å; T40-N43 VanDerWaalsContact O-N 3.16Å; N43-I45 PolarHBondContact O-N 3.31Å; N43-S46 PolarHBondContact O-N 3.28Å; N43-S46 VanDerWaalsContact O-N 3.17Å; N43-H47 PolarHBondContact O-CD2 3.35Å; N43-H47 PolarHBondContact O-N 2.92Å; N43-Q151 VanDerWaalsContact CG-NE2 3.29Å; N43-Q151 PolarHBondContact ND2-NE2 2.92Å; N43-Q151 PolarHBondContact OD1-NE2 3.28Å |
| 44 | D | 87.5 | Confident | 77.3 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.9 | -31.5 | 177.4 | -69.1 | -19.9 | 0 | 0 | 0 | 112.3 | T40 R41 I42 T48 | T40-D44 PolarHBondContact O-N 3.26Å; R41-D44 PolarHBondContact O-N 3.41Å; I42-D44 VanDerWaalsContact C-N 3.3Å; I42-D44 PolarHBondContact O-N 3.46Å; D44-T48 WeakPolarHBondContact O-CG2 3.4Å; D44-T48 PolarHBondContact O-N 3.25Å; D44-T48 PolarHBondContact O-OG1 3.11Å |
| 45 | I | 83.7 | Confident | 74.8 | Confident | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.01 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67 | -52.5 | 171.6 | -63.1 | 165.8 | 0 | 0 | 0 | 109.8 | R41 I42 N43 H47 T48 Q49 K93 I97 L147 | R41-I45 WeakPolarHBondContact O-CG1 3.39Å; R41-I45 PolarHBondContact O-N 2.93Å; I42-I45 WeakPolarHBondContact O-CB 3.41Å; I42-I45 PolarHBondContact O-N 3.2Å; I42-I45 VanDerWaalsContact O-N 3.07Å; N43-I45 PolarHBondContact O-N 3.31Å; I45-H47 VanDerWaalsContact C-N 3.32Å; I45-H47 PolarHBondContact O-N 2.74Å; I45-T48 PolarHBondContact O-N 3.18Å; I45-T48 VanDerWaalsContact O-N 3.1Å; I45-T48 PolarHBondContact O-OG1 2.88Å; I45-Q49 PolarHBondContact O-N 3.24Å; I45-K93 HydrophobicContact CD1-CB 3.75Å; I45-K93 HydrophobicContact CD1-CD 4.34Å; I45-K93 HydrophobicContact CG1-CB 3.96Å; I45-K93 HydrophobicContact CG1-CD 3.58Å; I45-K93 HydrophobicContact CG1-CG 4.43Å; I45-I97 HydrophobicContact CD1-CD1 3.4Å; I45-L147 HydrophobicContact CD1-CD1 4.01Å; I45-L147 HydrophobicContact CG2-CD1 4.05Å |
| 46 | S | 72.2 | Confident | 72.6 | Confident | 56 Ų | 56 | 86.6 Ų | 86.6 | 39% | 0.392 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.6 | -33.3 | -178.8 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | I42 N43 Q49 | I42-S46 PolarHBondContact O-N 3.49Å; I42-S46 PolarHBondContact O-OG 3.44Å; N43-S46 PolarHBondContact O-N 3.28Å; N43-S46 VanDerWaalsContact O-N 3.17Å; S46-Q49 CarbonylContact O-C 3.58Å; S46-Q49 PolarHBondContact O-N 3.07Å |
| 47 | H | 66.5 | Low | 70.6 | Confident | 156 Ų | 156 | 82.9 Ų | 82.9 | 72% | 0.722 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -71.2 | -31.5 | 174.9 | -76.1 | -57.4 | 0 | 0 | 0 | 112.7 | N43 I45 Q49 | N43-H47 PolarHBondContact O-CD2 3.35Å; N43-H47 PolarHBondContact O-N 2.92Å; I45-H47 VanDerWaalsContact C-N 3.32Å; I45-H47 PolarHBondContact O-N 2.74Å; H47-Q49 VanDerWaalsContact C-N 3.34Å |
| 48 | T | 62.8 | Low | 68.8 | Low | 94 Ų | 94 | 86 Ų | 86 | 58% | 0.577 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -78.4 | -19.5 | 173.7 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | D44 I45 K93 | D44-T48 WeakPolarHBondContact O-CG2 3.4Å; D44-T48 PolarHBondContact O-N 3.25Å; D44-T48 PolarHBondContact O-OG1 3.11Å; I45-T48 PolarHBondContact O-N 3.18Å; I45-T48 VanDerWaalsContact O-N 3.1Å; I45-T48 PolarHBondContact O-OG1 2.88Å; T48-K93 PolarHBondContact OG1-NZ 3.46Å |
| 49 | Q | 62.5 | Low | 67.2 | Low | 43 Ų | 43 | 87.8 Ų | 87.8 | 20% | 0.201 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -115.1 | 93.3 | -178.8 | -69.6 | 177.1 | -9.7 | 0 | 0 | 108.1 | I45 S46 H47 V51 | I45-Q49 PolarHBondContact O-N 3.24Å; S46-Q49 CarbonylContact O-C 3.58Å; S46-Q49 PolarHBondContact O-N 3.07Å; H47-Q49 VanDerWaalsContact C-N 3.34Å; Q49-V51 VanDerWaalsContact C-N 3.29Å; Q49-V51 HydrophobicContact CB-CG2 4.31Å; Q49-V51 PolarHBondContact O-N 3.34Å |
| 50 | S | 48.8 | Very low | 66 | Low | 124 Ų | 124 | 87 Ų | 87 | 87% | 0.867 | 48% | 0.477 | S | S | * | . | trans | -62.5 | 85.4 | 179.9 | 60 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 51 | V | 51.4 | Low | 64.7 | Low | 60 Ų | 60 | 90.1 Ų | 90.1 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | trans | -123.7 | 124.2 | -178.9 | -171.8 | 0 | 0 | 0 | 0 | 109.6 | Q49 S53 Y140 V144 | Q49-V51 VanDerWaalsContact C-N 3.29Å; Q49-V51 HydrophobicContact CB-CG2 4.31Å; Q49-V51 PolarHBondContact O-N 3.34Å; V51-S53 PolarHBondContact O-N 2.84Å; V51-Y140 HydrophobicContact CG2-CE1 3.84Å; V51-Y140 WeakPolarHBondContact CG2-OH 3.45Å; V51-V144 HydrophobicContact CB-CG1 4.37Å; V51-V144 HydrophobicContact CG1-CG1 4.03Å; V51-V144 HydrophobicContact CG1-CG2 4.48Å; V51-V144 HydrophobicContact CG2-CG2 4.25Å | ||
| 52 | S | 44.5 | Very low | 63.5 | Low | 89 Ų | 89 | 89 Ų | 89 | 62% | 0.622 | 49% | 0.487 | S | S | * | . | trans | -66.8 | 120.9 | 178.3 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | K54 | S52-K54 PolarHBondContact O-N 3.28Š| ||
| 53 | S | 50.4 | Low | 62.3 | Low | 124 Ų | 124 | 89 Ų | 89 | 87% | 0.867 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 5.7 | -178.3 | 55.4 | 0 | 0 | 0 | 0 | 115.4 | V51 | V51-S53 PolarHBondContact O-N 2.84Š|
| 54 | K | 46.9 | Very low | 61.4 | Low | 187 Ų | 187 | 87.1 Ų | 87.1 | 81% | 0.813 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.9 | -172.7 | -87.8 | -175.5 | 176 | 179.4 | 0 | 115.6 | S52 R56 | S52-K54 PolarHBondContact O-N 3.28Å; K54-R56 PolarHBondContact O-N 3.15Å |
| 55 | Q | 47.1 | Very low | 60.4 | Low | 149 Ų | 149 | 84.1 Ų | 84.1 | 70% | 0.696 | 47% | 0.47 | S | S | * | . | trans | -82.2 | 105.7 | -177.5 | -156.7 | 152.6 | -13 | 0 | 0 | 110.9 | V57 | Q55-V57 HydrophobicContact CB-CG2 4.39Å; Q55-V57 HydrophobicContact CG-CG2 4.11Å; Q55-V57 PolarHBondContact O-N 3.09Å | ||
| 56 | R | 49.3 | Very low | 59.6 | Low | 241 Ų | 241 | 89.3 Ų | 89.3 | 91% | 0.909 | 50% | 0.497 | S | S | * | . | trans | -75.1 | 90.9 | 172 | -168.6 | 177.4 | -175.9 | 173.1 | 1.2 | 108.2 | K54 | K54-R56 PolarHBondContact O-N 3.15Š| ||
| 57 | V | 55.3 | Low | 59.3 | Low | 44 Ų | 44 | 90.6 Ų | 90.6 | 27% | 0.267 | 50% | 0.497 | S | S | . | . | trans | -83.9 | 115.7 | 178.1 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | Q55 L60 S141 V145 | Q55-V57 HydrophobicContact CB-CG2 4.39Å; Q55-V57 HydrophobicContact CG-CG2 4.11Å; Q55-V57 PolarHBondContact O-N 3.09Å; V57-L60 HydrophobicContact CB-CD1 3.96Å; V57-L60 HydrophobicContact CG1-CD1 3.71Å; V57-L60 HydrophobicContact CG1-CG 4.01Å; V57-S141 WeakPolarHBondContact CG2-OG 3.29Å; V57-V145 HydrophobicContact CG2-CG2 4.22Å | ||
| 58 | T | 59.1 | Low | 58.8 | Low | 127 Ų | 127 | 88.7 Ų | 88.7 | 78% | 0.779 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 144.1 | 172.2 | 41.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 59 | G | 63.2 | Low | 58.9 | Low | 38 Ų | 38 | 89.1 Ų | 89.1 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | 1.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 60 | L | 67.4 | Low | 59.7 | Low | 3 Ų | 3 | 87.4 Ų | 87.4 | 2% | 0.016 | 49% | 0.493 | C | S | . | . | trans | -104.4 | 29.6 | 174.7 | -61.8 | -179.9 | 0 | 0 | 0 | 112.3 | V57 F62 I63 V134 T142 V145 R149 | V57-L60 HydrophobicContact CB-CD1 3.96Å; V57-L60 HydrophobicContact CG1-CD1 3.71Å; V57-L60 HydrophobicContact CG1-CG 4.01Å; L60-F62 HydrophobicContact CB-CE1 4.49Å; L60-F62 HydrophobicContact CD2-CE1 3.64Å; L60-F62 HydrophobicContact CD2-CZ 3.61Å; L60-F62 PolarHBondContact O-N 3.02Å; L60-I63 HydrophobicContact CB-CD1 4.02Å; L60-I63 HydrophobicContact CB-CG1 4.41Å; L60-I63 HydrophobicContact CD1-CD1 4.26Å; L60-I63 HydrophobicContact CD2-CD1 4.22Å; L60-I63 HydrophobicContact CG-CD1 4.41Å; L60-I63 PolarHBondContact O-N 2.72Å; L60-V134 HydrophobicContact CD2-CG1 3.78Å; L60-T142 HydrophobicContact CD2-CG2 4.17Å; L60-V145 HydrophobicContact CD1-CB 3.62Å; L60-V145 HydrophobicContact CD1-CG1 3.65Å; L60-V145 HydrophobicContact CD1-CG2 3.77Å; L60-R149 PolarHBondContact O-NH1 3.45Å | ||
| 61 | D | 67.6 | Low | 61.7 | Low | 141 Ų | 141 | 83 Ų | 83 | 75% | 0.754 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.9 | -176.9 | -59.6 | -46.9 | 0 | 0 | 0 | 112.6 | I63 | D61-I63 VanDerWaalsContact C-N 3.3Å; D61-I63 PolarHBondContact O-N 2.79Å |
| 62 | F | 67.6 | Low | 63.7 | Low | 37 Ų | 37 | 80.2 Ų | 80.2 | 16% | 0.162 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20.1 | 173.8 | 65.1 | -95.7 | 0 | 0 | 0 | 113.6 | L60 P64 I85 L125 L131 V134 T142 | L60-F62 HydrophobicContact CB-CE1 4.49Å; L60-F62 HydrophobicContact CD2-CE1 3.64Å; L60-F62 HydrophobicContact CD2-CZ 3.61Å; L60-F62 PolarHBondContact O-N 3.02Å; F62-P64 WeakPolarHBondContact O-CD 3.36Å; F62-I85 HydrophobicContact CD2-CD1 4.35Å; F62-I85 HydrophobicContact CE2-CD1 4.38Å; F62-I85 HydrophobicContact CE2-CG1 4.42Å; F62-L125 HydrophobicContact CB-CD2 4.42Å; F62-L131 HydrophobicContact CD2-CD2 3.51Å; F62-L131 HydrophobicContact CD2-CG 4.28Å; F62-L131 HydrophobicContact CE2-CD2 3.19Å; F62-L131 HydrophobicContact CE2-CG 4.33Å; F62-L131 HydrophobicContact CG-CD2 4.36Å; F62-L131 HydrophobicContact CZ-CD2 3.8Å; F62-V134 HydrophobicContact CE1-CB 4.17Å; F62-V134 HydrophobicContact CE1-CG1 3.88Å; F62-V134 HydrophobicContact CE1-CG2 4.47Å; F62-V134 HydrophobicContact CZ-CG1 4.39Å; F62-T142 HydrophobicContact CZ-CG2 4.37Å |
| 63 | I | 64.8 | Low | 66 | Low | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.01 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -77.6 | 119.7 | 179.4 | -53.6 | 177.7 | 0 | 0 | 0 | 108 | L60 D61 G65 Y82 I85 V145 A146 R149 | L60-I63 HydrophobicContact CB-CD1 4.02Å; L60-I63 HydrophobicContact CB-CG1 4.41Å; L60-I63 HydrophobicContact CD1-CD1 4.26Å; L60-I63 HydrophobicContact CD2-CD1 4.22Å; L60-I63 HydrophobicContact CG-CD1 4.41Å; L60-I63 PolarHBondContact O-N 2.72Å; D61-I63 VanDerWaalsContact C-N 3.3Å; D61-I63 PolarHBondContact O-N 2.79Å; I63-G65 PolarHBondContact O-N 3.34Å; I63-Y82 HydrophobicContact CG2-CE1 3.72Å; I63-I85 HydrophobicContact CB-CD1 4.46Å; I63-I85 HydrophobicContact CG1-CD1 4.2Å; I63-I85 HydrophobicContact CG2-CD1 4.27Å; I63-V145 HydrophobicContact CD1-CB 4.47Å; I63-V145 HydrophobicContact CD1-CG1 4.05Å; I63-A146 HydrophobicContact CD1-CB 4.12Å; I63-R149 HydrophobicContact CG2-CB 4Å; I63-R149 HydrophobicContact CG2-CG 4.33Å; I63-R149 PolarHBondContact O-NH1 3.44Å |
| 64 | P | 70.5 | Confident | 67.9 | Low | 16 Ų | 16 | 75.5 Ų | 75.5 | 10% | 0.104 | 40% | 0.402 | C | S | . | . | trans | -50.6 | 134 | -176.9 | -27.9 | 34.9 | 0 | 0 | 0 | 112.6 | F62 T78 I81 Y82 | F62-P64 WeakPolarHBondContact O-CD 3.36Å; P64-T78 HydrophobicContact CB-CG2 4.3Å; P64-I81 HydrophobicContact CG-CB 3.97Å; P64-I81 HydrophobicContact CG-CD1 4.06Å; P64-I81 HydrophobicContact CG-CG2 3.5Å; P64-I81 VanDerWaalsContact CG-CG2 3.5Å; P64-Y82 HydrophobicContact CB-CE2 4.26Å; P64-Y82 HydrophobicContact CG-CE2 4.42Å; P64-Y82 PolarHBondContact O-OH 3.48Å | ||
| 65 | G | 66.4 | Low | 70.1 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | trans | -80.3 | -175.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | I63 H67 | I63-G65 PolarHBondContact O-N 3.34Å; G65-H67 PolarHBondContact O-CE1 2.88Å; G65-H67 PolarHBondContact O-ND1 3.11Å | ||
| 66 | L | 67.3 | Low | 72.4 | Confident | 111 Ų | 111 | 59.6 Ų | 59.6 | 58% | 0.581 | 33% | 0.33 | S | S | * | . | trans | -71.1 | 135.7 | 168.8 | -60.3 | 175.3 | 0 | 0 | 0 | 109.7 | D156 | L66-D156 WeakPolarHBondContact CD2-OD2 3.41Š| ||
| 67 | H | 65.6 | Low | 74.3 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | trans | -120.1 | 118 | -178.5 | -70.3 | 68.3 | 0 | 0 | 0 | 108.8 | G65 V69 L70 | G65-H67 PolarHBondContact O-CE1 2.88Å; G65-H67 PolarHBondContact O-ND1 3.11Å; H67-V69 PolarHBondContact O-N 3.29Å; H67-L70 HydrophobicContact CB-CD2 3.81Å; H67-L70 HydrophobicContact CB-CG 4.22Å | ||
| 68 | P | 56.9 | Low | 76 | Confident | 117 Ų | 117 | 49.2 Ų | 49.2 | 76% | 0.76 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -71.2 | -17.1 | -170.2 | 26 | -33.3 | 0 | 0 | 0 | 114.1 | Q160 | P68-Q160 PolarHBondContact O-NE2 3.29Š|
| 69 | V | 63.3 | Low | 77.7 | Confident | 102 Ų | 102 | 43.1 Ų | 43.1 | 62% | 0.618 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -133.3 | 123.6 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | H67 Q74 | H67-V69 PolarHBondContact O-N 3.29Å; V69-Q74 PolarHBondContact O-OE1 3.43Å |
| 70 | L | 80.4 | Confident | 79 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | trans | -128.3 | 113.3 | -176.9 | -70.6 | 163.2 | 0 | 0 | 0 | 109.6 | H67 Q74 M75 D156 M157 Q160 P165 | H67-L70 HydrophobicContact CB-CD2 3.81Å; H67-L70 HydrophobicContact CB-CG 4.22Å; L70-Q74 HydrophobicContact CD2-CB 4.15Å; L70-M75 HydrophobicContact CB-CE 3.67Å; L70-M75 HydrophobicContact CB-CG 3.92Å; L70-D156 HydrophobicContact CD1-CB 3.89Å; L70-M157 HydrophobicContact CD1-CG 4.03Å; L70-Q160 HydrophobicContact CB-CG 4.16Å; L70-Q160 HydrophobicContact CD1-CG 4.36Å; L70-P165 WeakPolarHBondContact O-CB 3.38Å | ||
| 71 | T | 91.7 | Very high | 80 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 20% | 0.202 | 24% | 0.24 | C | C | . | . | trans | -78.1 | 162.7 | 161.5 | 80.1 | 0 | 0 | 0 | 0 | 110.5 | S73 Q74 M75 G166 C167 | T71-S73 PolarHBondContact O-N 3.07Å; T71-S73 PolarHBondContact OG1-N 3.42Å; T71-Q74 PolarHBondContact O-N 3.03Å; T71-Q74 PolarHBondContact OG1-N 3.35Å; T71-M75 VanDerWaalsContact O-CG 3.31Å; T71-M75 WeakPolarHBondContact O-CG 3.25Å; T71-M75 PolarHBondContact O-N 3.48Å; T71-G166 CarbonylContact C-O 3.58Å; T71-G166 WeakPolarHBondContact CA-O 3.43Å; T71-G166 WeakPolarHBondContact CB-O 3.36Å; T71-C167 WeakPolarHBondContact CB-O 3.24Å; T71-C167 PolarHBondContact OG1-O 3.49Å | ||
| 72 | L | 93 | Very high | 81 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.2 | -34 | 176.3 | -65.8 | 179.8 | 0 | 0 | 0 | 112.4 | M75 D76 L108 L111 A112 K115 L119 L161 P165 G166 | L72-M75 HydrophobicContact CD2-SD 4.11Å; L72-M75 PolarHBondContact O-N 3.36Å; L72-D76 PolarHBondContact O-N 3.37Å; L72-L108 HydrophobicContact CD2-CD2 3.88Å; L72-L111 HydrophobicContact CD1-CD2 4.27Å; L72-L111 HydrophobicContact CD1-CG 4.23Å; L72-L111 HydrophobicContact CD2-CD2 3.81Å; L72-A112 HydrophobicContact CD1-CB 4.08Å; L72-K115 HydrophobicContact CD1-CD 4.09Å; L72-L119 HydrophobicContact CB-CD2 3.84Å; L72-L161 HydrophobicContact CD2-CD2 4.27Å; L72-P165 HydrophobicContact CD2-CG 3.89Å; L72-P165 HydrophobicContact CG-CG 4.31Å; L72-G166 PolarHBondContact N-O 3.38Å |
| 73 | S | 91.9 | Very high | 82.1 | Confident | 28 Ų | 28 | 35 Ų | 35 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 175 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | T71 M75 D76 Q77 P120 | T71-S73 PolarHBondContact O-N 3.07Å; T71-S73 PolarHBondContact OG1-N 3.42Å; S73-M75 VanDerWaalsContact C-N 3.31Å; S73-M75 PolarHBondContact O-N 2.7Å; S73-D76 PolarHBondContact O-N 2.96Å; S73-Q77 WeakPolarHBondContact O-CB 3.4Å; S73-Q77 PolarHBondContact O-N 3.26Å; S73-P120 WeakPolarHBondContact OG-CD 3.34Å; S73-P120 WeakPolarHBondContact OG-CG 3.39Å |
| 74 | Q | 91.4 | Very high | 83.1 | Confident | 87 Ų | 87 | 37.2 Ų | 37.2 | 41% | 0.407 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.8 | -34.4 | 177.1 | -67.1 | 173 | -37.7 | 0 | 0 | 111.6 | V69 L70 T71 T78 | V69-Q74 PolarHBondContact O-OE1 3.43Å; L70-Q74 HydrophobicContact CD2-CB 4.15Å; T71-Q74 PolarHBondContact O-N 3.03Å; T71-Q74 PolarHBondContact OG1-N 3.35Å; Q74-T78 WeakPolarHBondContact O-CB 3.22Å; Q74-T78 PolarHBondContact O-N 2.94Å; Q74-T78 PolarHBondContact O-OG1 3.06Å |
| 75 | M | 93.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -50.7 | 172.4 | -62.6 | -177.7 | -175.7 | 0 | 0 | 110.8 | L70 T71 L72 S73 Q77 T78 L79 L108 M157 Q160 P165 | L70-M75 HydrophobicContact CB-CE 3.67Å; L70-M75 HydrophobicContact CB-CG 3.92Å; T71-M75 VanDerWaalsContact O-CG 3.31Å; T71-M75 WeakPolarHBondContact O-CG 3.25Å; T71-M75 PolarHBondContact O-N 3.48Å; L72-M75 HydrophobicContact CD2-SD 4.11Å; L72-M75 PolarHBondContact O-N 3.36Å; S73-M75 VanDerWaalsContact C-N 3.31Å; S73-M75 PolarHBondContact O-N 2.7Å; M75-Q77 PolarHBondContact O-N 3.37Å; M75-T78 PolarHBondContact O-N 3.02Å; M75-L79 VanDerWaalsContact O-CG 3.31Å; M75-L79 WeakPolarHBondContact O-CG 3.36Å; M75-L79 PolarHBondContact O-N 3.35Å; M75-L108 HydrophobicContact CB-CD1 3.69Å; M75-L108 HydrophobicContact SD-CD2 4.14Å; M75-M157 HydrophobicContact CB-CE 4.22Å; M75-M157 HydrophobicContact CB-CG 4.35Å; M75-M157 HydrophobicContact CB-SD 4.36Å; M75-M157 HydrophobicContact CE-CG 4.48Å; M75-M157 HydrophobicContact CG-CG 3.86Å; M75-M157 HydrophobicContact SD-CB 4.28Å; M75-M157 HydrophobicContact SD-CG 4.07Å; M75-Q160 HydrophobicContact CE-CB 3.45Å; M75-Q160 VanDerWaalsContact CE-CB 3.45Å; M75-Q160 HydrophobicContact CE-CG 4.36Å; M75-P165 HydrophobicContact CE-CB 4.2Å; M75-P165 HydrophobicContact CE-CG 3.87Å |
| 76 | D | 93.7 | Very high | 84.8 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 179 | -173.2 | 61.1 | 0 | 0 | 0 | 112 | L72 S73 T78 L79 A80 R105 H109 L119 A122 | L72-D76 PolarHBondContact O-N 3.37Å; S73-D76 PolarHBondContact O-N 2.96Å; D76-T78 VanDerWaalsContact C-N 3.34Å; D76-T78 PolarHBondContact O-N 3.07Å; D76-L79 PolarHBondContact O-N 3.19Å; D76-A80 WeakPolarHBondContact O-CB 3.06Å; D76-A80 PolarHBondContact O-N 2.91Å; D76-R105 WeakPolarHBondContact OD1-CB 3.24Å; D76-R105 WeakPolarHBondContact OD1-CG 3.36Å; D76-R105 IonicContact OD1-CZ 3.52Å; D76-R105 IonicContact OD1-NE 2.75Å; D76-R105 PolarHBondContact OD1-NE 3.36Å; D76-R105 IonicContact OD1-NH2 3.73Å; D76-R105 PolarHBondContact OD1-NH2 3.39Å; D76-R105 IonicContact OD2-CZ 3.83Å; D76-R105 IonicContact OD2-NE 3.75Å; D76-R105 IonicContact OD2-NH2 2.88Å; D76-R105 PolarHBondContact OD2-NH2 3.32Å; D76-H109 IonicContact OD1-CD2 2.7Å; D76-H109 IonicContact OD1-NE2 3.67Å; D76-H109 IonicContact OD2-NE2 3.73Å; D76-L119 HydrophobicContact CB-CD1 4.25Å; D76-A122 WeakPolarHBondContact OD2-CB 3.38Å |
| 77 | Q | 90.8 | Very high | 85.7 | Confident | 56 Ų | 56 | 35.4 Ų | 35.4 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 177.1 | -179.2 | 61.1 | 26.6 | 0 | 0 | 112.2 | S73 M75 A80 I81 S123 | S73-Q77 WeakPolarHBondContact O-CB 3.4Å; S73-Q77 PolarHBondContact O-N 3.26Å; M75-Q77 PolarHBondContact O-N 3.37Å; Q77-A80 PolarHBondContact O-N 2.86Å; Q77-I81 HydrophobicContact CG-CD1 4.4Å; Q77-I81 WeakPolarHBondContact O-CG1 3.4Å; Q77-I81 PolarHBondContact O-N 3.16Å; Q77-I81 VanDerWaalsContact O-N 3.12Å; Q77-S123 PolarHBondContact NE2-O 3.37Å; Q77-S123 PolarHBondContact OE1-O 3.23Å |
| 78 | T | 90.8 | Very high | 86.4 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 178 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | P64 Q74 M75 D76 I81 Y82 M157 | P64-T78 HydrophobicContact CB-CG2 4.3Å; Q74-T78 WeakPolarHBondContact O-CB 3.22Å; Q74-T78 PolarHBondContact O-N 2.94Å; Q74-T78 PolarHBondContact O-OG1 3.06Å; M75-T78 PolarHBondContact O-N 3.02Å; D76-T78 VanDerWaalsContact C-N 3.34Å; D76-T78 PolarHBondContact O-N 3.07Å; T78-I81 PolarHBondContact O-N 3.17Å; T78-Y82 HydrophobicContact CG2-CD2 3.86Å; T78-Y82 HydrophobicContact CG2-CE2 3.63Å; T78-Y82 WeakPolarHBondContact O-CD2 3.31Å; T78-Y82 PolarHBondContact O-N 3.36Å; T78-Y82 VanDerWaalsContact O-N 3.11Å; T78-M157 HydrophobicContact CG2-CE 3.84Å |
| 79 | L | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 177.9 | -65.7 | 173.9 | 0 | 0 | 0 | 111.9 | M75 D76 I81 Y82 Q83 L101 L104 R105 L108 L154 M157 | M75-L79 VanDerWaalsContact O-CG 3.31Å; M75-L79 WeakPolarHBondContact O-CG 3.36Å; M75-L79 PolarHBondContact O-N 3.35Å; D76-L79 PolarHBondContact O-N 3.19Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-I81 PolarHBondContact O-N 2.77Å; L79-Y82 PolarHBondContact O-N 2.92Å; L79-Q83 WeakPolarHBondContact O-CG 3.25Å; L79-Q83 PolarHBondContact O-N 3.45Å; L79-L101 HydrophobicContact CD2-CD2 3.8Å; L79-L104 HydrophobicContact CD1-CB 4.32Å; L79-L104 HydrophobicContact CD1-CD2 3.74Å; L79-L104 HydrophobicContact CD1-CG 3.76Å; L79-L104 HydrophobicContact CD2-CD2 3.9Å; L79-R105 HydrophobicContact CB-CG 3.66Å; L79-R105 HydrophobicContact CD1-CG 3.77Å; L79-R105 HydrophobicContact CG-CG 4.39Å; L79-L108 HydrophobicContact CD1-CD1 3.54Å; L79-L154 HydrophobicContact CD2-CD2 4.23Å; L79-M157 HydrophobicContact CD1-SD 4.45Å; L79-M157 HydrophobicContact CD2-CE 3.94Å; L79-M157 HydrophobicContact CD2-SD 4.03Å; L79-M157 HydrophobicContact CG-CE 3.92Å; L79-M157 HydrophobicContact CG-SD 4.24Å |
| 80 | A | 91.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 29.4 Ų | 29.4 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D76 Q77 Q83 Q84 A122 | D76-A80 WeakPolarHBondContact O-CB 3.06Å; D76-A80 PolarHBondContact O-N 2.91Å; Q77-A80 PolarHBondContact O-N 2.86Å; A80-Q83 PolarHBondContact O-N 3.49Å; A80-Q84 PolarHBondContact O-N 2.9Å; A80-A122 HydrophobicContact CB-CB 3.64Å |
| 81 | I | 88.1 | Confident | 87.8 | Confident | 22 Ų | 22 | 30.2 Ų | 30.2 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -45.2 | 175.5 | -65 | 164.1 | 0 | 0 | 0 | 110.5 | P64 Q77 T78 L79 Q83 Q84 I85 L125 | P64-I81 HydrophobicContact CG-CB 3.97Å; P64-I81 HydrophobicContact CG-CD1 4.06Å; P64-I81 HydrophobicContact CG-CG2 3.5Å; P64-I81 VanDerWaalsContact CG-CG2 3.5Å; Q77-I81 HydrophobicContact CG-CD1 4.4Å; Q77-I81 WeakPolarHBondContact O-CG1 3.4Å; Q77-I81 PolarHBondContact O-N 3.16Å; Q77-I81 VanDerWaalsContact O-N 3.12Å; T78-I81 PolarHBondContact O-N 3.17Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-I81 PolarHBondContact O-N 2.77Å; I81-Q83 PolarHBondContact O-N 3.38Å; I81-Q84 PolarHBondContact O-N 3.36Å; I81-I85 HydrophobicContact CG2-CD1 3.94Å; I81-I85 WeakPolarHBondContact O-CG1 3.49Å; I81-I85 PolarHBondContact O-N 3.02Å; I81-I85 VanDerWaalsContact O-N 3.07Å; I81-L125 HydrophobicContact CD1-CD1 4.46Å; I81-L125 HydrophobicContact CG1-CD1 4.36Å; I81-L125 HydrophobicContact CG2-CD1 4.01Å |
| 82 | Y | 89.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 176.5 | -80 | -66 | 0 | 0 | 0 | 112.4 | I63 P64 T78 L79 Q84 I85 L86 R149 L150 S153 | I63-Y82 HydrophobicContact CG2-CE1 3.72Å; P64-Y82 HydrophobicContact CB-CE2 4.26Å; P64-Y82 HydrophobicContact CG-CE2 4.42Å; P64-Y82 PolarHBondContact O-OH 3.48Å; T78-Y82 HydrophobicContact CG2-CD2 3.86Å; T78-Y82 HydrophobicContact CG2-CE2 3.63Å; T78-Y82 WeakPolarHBondContact O-CD2 3.31Å; T78-Y82 PolarHBondContact O-N 3.36Å; T78-Y82 VanDerWaalsContact O-N 3.11Å; L79-Y82 PolarHBondContact O-N 2.92Å; Y82-Q84 VanDerWaalsContact C-N 3.28Å; Y82-Q84 PolarHBondContact O-N 3.03Å; Y82-I85 HydrophobicContact CD1-CD1 4.4Å; Y82-I85 PolarHBondContact O-N 3.19Å; Y82-I85 VanDerWaalsContact O-N 3.15Å; Y82-L86 WeakPolarHBondContact O-CB 3.33Å; Y82-L86 VanDerWaalsContact O-CG 3.25Å; Y82-L86 WeakPolarHBondContact O-CG 3.44Å; Y82-L86 PolarHBondContact O-N 3.24Å; Y82-R149 HydrophobicContact CE1-CB 4.44Å; Y82-R149 WeakPolarHBondContact OH-CB 3.42Å; Y82-R149 PolarHBondContact OH-O 3.2Å; Y82-L150 HydrophobicContact CD1-CB 3.85Å; Y82-L150 HydrophobicContact CD1-CD1 4.23Å; Y82-L150 HydrophobicContact CD1-CG 4.47Å; Y82-L150 HydrophobicContact CD2-CB 4.49Å; Y82-L150 HydrophobicContact CD2-CD1 3.64Å; Y82-L150 HydrophobicContact CE1-CB 3.7Å; Y82-L150 HydrophobicContact CE2-CB 4.36Å; Y82-L150 HydrophobicContact CE2-CD1 4.05Å; Y82-L150 HydrophobicContact CG-CB 4.26Å; Y82-L150 HydrophobicContact CG-CD1 3.75Å; Y82-L150 HydrophobicContact CG-CG 4.45Å; Y82-L150 PolarHBondContact OH-N 3.07Å; Y82-S153 PolarHBondContact OH-OG 3.39Å |
| 83 | Q | 89.7 | Confident | 86.7 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 9% | 0.093 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.4 | -44.2 | 174.9 | -75 | 179.4 | -49.3 | 0 | 0 | 112 | L79 A80 I81 L86 I87 L101 E102 | L79-Q83 WeakPolarHBondContact O-CG 3.25Å; L79-Q83 PolarHBondContact O-N 3.45Å; A80-Q83 PolarHBondContact O-N 3.49Å; I81-Q83 PolarHBondContact O-N 3.38Å; Q83-L86 PolarHBondContact O-N 3.22Å; Q83-I87 WeakPolarHBondContact O-CB 3.33Å; Q83-I87 VanDerWaalsContact O-CG1 3.27Å; Q83-I87 WeakPolarHBondContact O-CG1 3.31Å; Q83-I87 PolarHBondContact O-N 2.97Å; Q83-L101 HydrophobicContact CG-CB 3.77Å; Q83-L101 HydrophobicContact CG-CD1 4.11Å; Q83-E102 VanDerWaalsContact NE2-CB 3.32Å; Q83-E102 VanDerWaalsContact NE2-N 3.13Å |
| 84 | Q | 86.6 | Confident | 86.4 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 23% | 0.229 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 176.7 | -71.1 | -176.9 | -35.1 | 0 | 0 | 112.9 | A80 I81 Y82 N88 G124 | A80-Q84 PolarHBondContact O-N 2.9Å; I81-Q84 PolarHBondContact O-N 3.36Å; Y82-Q84 VanDerWaalsContact C-N 3.28Å; Y82-Q84 PolarHBondContact O-N 3.03Å; Q84-N88 PolarHBondContact O-ND2 3.09Å; Q84-G124 VanDerWaalsContact CD-CA 3.45Å; Q84-G124 VanDerWaalsContact NE2-CA 3.34Å; Q84-G124 VanDerWaalsContact OE1-C 3.26Å |
| 85 | I | 85.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 175.9 | -64.6 | 164 | 0 | 0 | 0 | 109.8 | F62 I63 I81 Y82 N88 L89 L131 A146 | F62-I85 HydrophobicContact CD2-CD1 4.35Å; F62-I85 HydrophobicContact CE2-CD1 4.38Å; F62-I85 HydrophobicContact CE2-CG1 4.42Å; I63-I85 HydrophobicContact CB-CD1 4.46Å; I63-I85 HydrophobicContact CG1-CD1 4.2Å; I63-I85 HydrophobicContact CG2-CD1 4.27Å; I81-I85 HydrophobicContact CG2-CD1 3.94Å; I81-I85 WeakPolarHBondContact O-CG1 3.49Å; I81-I85 PolarHBondContact O-N 3.02Å; I81-I85 VanDerWaalsContact O-N 3.07Å; Y82-I85 HydrophobicContact CD1-CD1 4.4Å; Y82-I85 PolarHBondContact O-N 3.19Å; Y82-I85 VanDerWaalsContact O-N 3.15Å; I85-N88 PolarHBondContact O-N 2.98Å; I85-L89 HydrophobicContact CG2-CD1 4.29Å; I85-L131 HydrophobicContact CG1-CD2 4.15Å; I85-A146 HydrophobicContact CG2-CB 3.87Å |
| 86 | L | 87.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.6 | -35 | -175.6 | -66.7 | -168.1 | 0 | 0 | 0 | 113.4 | Y82 Q83 N88 L89 V94 I97 L101 L147 L150 | Y82-L86 WeakPolarHBondContact O-CB 3.33Å; Y82-L86 VanDerWaalsContact O-CG 3.25Å; Y82-L86 WeakPolarHBondContact O-CG 3.44Å; Y82-L86 PolarHBondContact O-N 3.24Å; Q83-L86 PolarHBondContact O-N 3.22Å; L86-N88 PolarHBondContact O-N 3.43Å; L86-L89 HydrophobicContact CD2-CD1 3.98Å; L86-L89 PolarHBondContact O-N 3.34Å; L86-L89 VanDerWaalsContact O-N 3.09Å; L86-V94 HydrophobicContact CB-CG1 3.61Å; L86-V94 HydrophobicContact CD1-CG1 4.31Å; L86-V94 HydrophobicContact CD2-CG1 3.76Å; L86-V94 HydrophobicContact CG-CG1 4.05Å; L86-V94 WeakPolarHBondContact O-CG1 3.2Å; L86-I97 HydrophobicContact CD1-CB 4.18Å; L86-I97 HydrophobicContact CD1-CG2 3.56Å; L86-L101 HydrophobicContact CD1-CD1 3.79Å; L86-L147 HydrophobicContact CD2-CD2 4.07Å; L86-L150 HydrophobicContact CD1-CD2 4.09Å |
| 87 | I | 84.7 | Confident | 86.1 | Confident | 121 Ų | 121 | 45.4 Ų | 45.4 | 62% | 0.621 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.6 | -31.7 | 175.7 | -77.9 | 166.3 | 0 | 0 | 0 | 111.7 | Q83 L89 | Q83-I87 WeakPolarHBondContact O-CB 3.33Å; Q83-I87 VanDerWaalsContact O-CG1 3.27Å; Q83-I87 WeakPolarHBondContact O-CG1 3.31Å; Q83-I87 PolarHBondContact O-N 2.97Å; I87-L89 VanDerWaalsContact C-N 3.33Å |
| 88 | N | 81.7 | Confident | 86.3 | Confident | 67 Ų | 67 | 43.3 Ų | 43.3 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 0.8 | -180 | -66 | -64.7 | 0 | 0 | 0 | 113.5 | Q84 I85 L86 L135 | Q84-N88 PolarHBondContact O-ND2 3.09Å; I85-N88 PolarHBondContact O-N 2.98Å; L86-N88 PolarHBondContact O-N 3.43Å; N88-L135 HydrophobicContact CB-CD1 3.64Å |
| 89 | L | 81.4 | Confident | 86.4 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -101.9 | 120.5 | 178.7 | -69.6 | 171.8 | 0 | 0 | 0 | 111 | I85 L86 I87 S91 V94 L135 L139 T142 E143 A146 | I85-L89 HydrophobicContact CG2-CD1 4.29Å; L86-L89 HydrophobicContact CD2-CD1 3.98Å; L86-L89 PolarHBondContact O-N 3.34Å; L86-L89 VanDerWaalsContact O-N 3.09Å; I87-L89 VanDerWaalsContact C-N 3.33Å; L89-S91 PolarHBondContact O-N 2.87Å; L89-V94 HydrophobicContact CB-CG1 4.11Å; L89-L135 HydrophobicContact CD2-CD2 3.42Å; L89-L135 VanDerWaalsContact CD2-CD2 3.42Å; L89-L135 HydrophobicContact CG-CD2 4.21Å; L89-L139 HydrophobicContact CD2-CD2 4.4Å; L89-T142 HydrophobicContact CD2-CG2 4.4Å; L89-E143 HydrophobicContact CD1-CB 4.1Å; L89-E143 HydrophobicContact CD1-CG 4.41Å; L89-E143 HydrophobicContact CD2-CB 4.23Å; L89-A146 HydrophobicContact CD1-CB 4.42Å |
| 90 | P | 68.9 | Low | 86.5 | Confident | 102 Ų | 102 | 47.6 Ų | 47.6 | 66% | 0.662 | 24% | 0.237 | S | C | * | . | trans | -82 | 79.1 | -174.3 | 32.4 | -34.7 | 0 | 0 | 0 | 112 | L139 | P90-L139 HydrophobicContact CG-CD1 4.05Š| ||
| 91 | S | 78.3 | Confident | 86.7 | Confident | 24 Ų | 24 | 47.3 Ų | 47.3 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | trans | -145.6 | 129.7 | 175.1 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | L89 K93 V94 I95 E143 | L89-S91 PolarHBondContact O-N 2.87Å; S91-K93 PolarHBondContact O-N 2.98Å; S91-V94 WeakPolarHBondContact O-CB 3.32Å; S91-V94 PolarHBondContact O-N 3.35Å; S91-I95 PolarHBondContact O-N 3.01Å; S91-E143 PolarHBondContact OG-OE1 3.28Å | ||
| 92 | R | 79.3 | Confident | 87.1 | Confident | 203 Ų | 203 | 51.3 Ų | 51.3 | 77% | 0.766 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -57.4 | -35.1 | 178.4 | -175.7 | 179.5 | -180 | -170.8 | 0.8 | 112.1 | Q96 | R92-Q96 PolarHBondContact O-N 3.12Å |
| 93 | K | 83.4 | Confident | 87.4 | Confident | 82 Ų | 82 | 55.2 Ų | 55.2 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.7 | -35 | 178.2 | -60.1 | -172 | -175.9 | -179.5 | 0 | 111.1 | I45 T48 S91 Q96 I97 | I45-K93 HydrophobicContact CD1-CB 3.75Å; I45-K93 HydrophobicContact CD1-CD 4.34Å; I45-K93 HydrophobicContact CG1-CB 3.96Å; I45-K93 HydrophobicContact CG1-CD 3.58Å; I45-K93 HydrophobicContact CG1-CG 4.43Å; T48-K93 PolarHBondContact OG1-NZ 3.46Å; S91-K93 PolarHBondContact O-N 2.98Å; K93-Q96 PolarHBondContact O-N 3.37Å; K93-I97 WeakPolarHBondContact O-CG1 3.4Å; K93-I97 PolarHBondContact O-N 3.18Å |
| 94 | V | 86.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 175.5 | 173 | 0 | 0 | 0 | 0 | 112 | L86 L89 S91 Q96 I97 S98 E143 L147 | L86-V94 HydrophobicContact CB-CG1 3.61Å; L86-V94 HydrophobicContact CD1-CG1 4.31Å; L86-V94 HydrophobicContact CD2-CG1 3.76Å; L86-V94 HydrophobicContact CG-CG1 4.05Å; L86-V94 WeakPolarHBondContact O-CG1 3.2Å; L89-V94 HydrophobicContact CB-CG1 4.11Å; S91-V94 WeakPolarHBondContact O-CB 3.32Å; S91-V94 PolarHBondContact O-N 3.35Å; V94-Q96 VanDerWaalsContact C-N 3.28Å; V94-Q96 PolarHBondContact O-N 2.9Å; V94-I97 PolarHBondContact O-N 3.35Å; V94-I97 VanDerWaalsContact O-N 3.09Å; V94-S98 PolarHBondContact O-N 3.42Å; V94-E143 HydrophobicContact CG2-CG 3.96Å; V94-E143 WeakPolarHBondContact CG2-OE1 3.45Å; V94-L147 HydrophobicContact CG2-CD1 4.42Å |
| 95 | I | 88.1 | Confident | 88.2 | Confident | 99 Ų | 99 | 54.2 Ų | 54.2 | 51% | 0.508 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57 | -43.8 | 174.4 | -65.5 | 169.4 | 0 | 0 | 0 | 111 | S91 I97 S98 N99 | S91-I95 PolarHBondContact O-N 3.01Å; I95-I97 VanDerWaalsContact C-N 3.33Å; I95-I97 PolarHBondContact O-N 3.33Å; I95-S98 WeakPolarHBondContact O-CB 3.49Å; I95-S98 PolarHBondContact O-N 3.01Å; I95-N99 PolarHBondContact O-N 2.96Å; I95-N99 VanDerWaalsContact O-N 3.11Å |
| 96 | Q | 90.9 | Very high | 88.7 | Confident | 84 Ų | 84 | 58.4 Ų | 58.4 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 177.3 | -68.7 | 179.6 | -13.6 | 0 | 0 | 112.2 | R41 R92 K93 V94 N99 D100 | R41-Q96 PolarHBondContact NH1-O 2.81Å; R41-Q96 VanDerWaalsContact NH1-O 3.14Å; R92-Q96 PolarHBondContact O-N 3.12Å; K93-Q96 PolarHBondContact O-N 3.37Å; V94-Q96 VanDerWaalsContact C-N 3.28Å; V94-Q96 PolarHBondContact O-N 2.9Å; Q96-N99 PolarHBondContact O-N 2.88Å; Q96-D100 PolarHBondContact O-N 3.46Å; Q96-D100 VanDerWaalsContact O-N 3.13Å |
| 97 | I | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 175.3 | -67.7 | 170.7 | 0 | 0 | 0 | 110.1 | I38 R41 I42 I45 L86 K93 V94 I95 N99 D100 L101 L147 L150 | I38-I97 HydrophobicContact CG2-CG2 4.09Å; R41-I97 HydrophobicContact CG-CD1 4.49Å; R41-I97 HydrophobicContact CG-CG1 4.22Å; I42-I97 HydrophobicContact CG1-CD1 3.75Å; I45-I97 HydrophobicContact CD1-CD1 3.4Å; L86-I97 HydrophobicContact CD1-CB 4.18Å; L86-I97 HydrophobicContact CD1-CG2 3.56Å; K93-I97 WeakPolarHBondContact O-CG1 3.4Å; K93-I97 PolarHBondContact O-N 3.18Å; V94-I97 PolarHBondContact O-N 3.35Å; V94-I97 VanDerWaalsContact O-N 3.09Å; I95-I97 VanDerWaalsContact C-N 3.33Å; I95-I97 PolarHBondContact O-N 3.33Å; I97-N99 VanDerWaalsContact C-N 3.3Å; I97-N99 PolarHBondContact O-N 2.92Å; I97-D100 WeakPolarHBondContact O-CB 3.39Å; I97-D100 PolarHBondContact O-N 3.26Å; I97-D100 VanDerWaalsContact O-N 3.09Å; I97-L101 HydrophobicContact CG2-CG 4.33Å; I97-L101 WeakPolarHBondContact O-CG 3.27Å; I97-L101 PolarHBondContact O-N 3.42Å; I97-L147 HydrophobicContact CD1-CD2 3.79Å; I97-L150 HydrophobicContact CG2-CD2 3.82Å |
| 98 | S | 93.2 | Very high | 89.5 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.3 | -43.5 | 177.4 | -171.5 | 0 | 0 | 0 | 0 | 112.5 | V94 I95 L101 E102 | V94-S98 PolarHBondContact O-N 3.42Å; I95-S98 WeakPolarHBondContact O-CB 3.49Å; I95-S98 PolarHBondContact O-N 3.01Å; S98-L101 PolarHBondContact O-N 3.3Å; S98-E102 PolarHBondContact O-N 3.01Å; S98-E102 VanDerWaalsContact O-N 3.13Å |
| 99 | N | 93.7 | Very high | 90.1 | Very high | 81 Ų | 81 | 54.4 Ų | 54.4 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 176.1 | -67.1 | -11.9 | 0 | 0 | 0 | 112.1 | I95 Q96 I97 L101 E102 N103 | I95-N99 PolarHBondContact O-N 2.96Å; I95-N99 VanDerWaalsContact O-N 3.11Å; Q96-N99 PolarHBondContact O-N 2.88Å; I97-N99 VanDerWaalsContact C-N 3.3Å; I97-N99 PolarHBondContact O-N 2.92Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 2.98Å; N99-E102 WeakPolarHBondContact O-CB 3.45Å; N99-E102 PolarHBondContact O-N 3.42Å; N99-N103 PolarHBondContact O-N 3.34Å; N99-N103 VanDerWaalsContact O-N 3.11Å; N99-N103 PolarHBondContact O-ND2 3.44Å |
| 100 | D | 95.6 | Very high | 90.7 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 174.9 | -73.2 | 15.4 | 0 | 0 | 0 | 111.8 | L34 I38 R41 Q96 I97 E102 N103 L104 | L34-D100 HydrophobicContact CD1-CB 4.28Å; I38-D100 HydrophobicContact CD1-CB 3.77Å; I38-D100 HydrophobicContact CG1-CB 3.52Å; R41-D100 IonicContact CZ-OD1 3.02Å; R41-D100 IonicContact CZ-OD2 2.95Å; R41-D100 IonicContact NE-OD2 3.95Å; R41-D100 IonicContact NH1-OD1 3.37Å; R41-D100 PolarHBondContact NH1-OD1 2.76Å; R41-D100 IonicContact NH1-OD2 2.69Å; R41-D100 PolarHBondContact NH1-OD2 3.03Å; R41-D100 IonicContact NH2-OD1 3.92Å; R41-D100 IonicContact NH2-OD2 3.28Å; R41-D100 PolarHBondContact NH2-OD2 3.43Å; Q96-D100 PolarHBondContact O-N 3.46Å; Q96-D100 VanDerWaalsContact O-N 3.13Å; I97-D100 WeakPolarHBondContact O-CB 3.39Å; I97-D100 PolarHBondContact O-N 3.26Å; I97-D100 VanDerWaalsContact O-N 3.09Å; D100-E102 VanDerWaalsContact C-N 3.31Å; D100-N103 PolarHBondContact O-N 3.03Å; D100-L104 WeakPolarHBondContact O-CB 3.46Å; D100-L104 PolarHBondContact O-N 2.88Å |
| 101 | L | 95.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 174.3 | -62.3 | -176.2 | 0 | 0 | 0 | 111.5 | I38 L79 Q83 L86 I97 S98 N99 L104 R105 L150 | I38-L101 HydrophobicContact CD1-CD2 4.15Å; I38-L101 HydrophobicContact CG2-CD2 4.5Å; L79-L101 HydrophobicContact CD2-CD2 3.8Å; Q83-L101 HydrophobicContact CG-CB 3.77Å; Q83-L101 HydrophobicContact CG-CD1 4.11Å; L86-L101 HydrophobicContact CD1-CD1 3.79Å; I97-L101 HydrophobicContact CG2-CG 4.33Å; I97-L101 WeakPolarHBondContact O-CG 3.27Å; I97-L101 PolarHBondContact O-N 3.42Å; S98-L101 PolarHBondContact O-N 3.3Å; N99-L101 VanDerWaalsContact C-N 3.29Å; N99-L101 PolarHBondContact O-N 2.98Å; L101-L104 WeakPolarHBondContact O-CB 3.46Å; L101-L104 PolarHBondContact O-N 3.43Å; L101-R105 WeakPolarHBondContact O-CG 3.42Å; L101-R105 PolarHBondContact O-N 3.31Å; L101-L150 HydrophobicContact CD1-CD1 4.29Å; L101-L150 HydrophobicContact CD1-CD2 4.08Å; L101-L150 HydrophobicContact CD2-CD1 3.94Å; L101-L150 HydrophobicContact CD2-CD2 4.25Å |
| 102 | E | 95.1 | Very high | 92.5 | Very high | 106 Ų | 106 | 52.8 Ų | 52.8 | 50% | 0.495 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -50.9 | 174.7 | -168.4 | 175.2 | -174.9 | 0 | 0 | 110.9 | Q83 S98 N99 D100 L104 R105 D106 | Q83-E102 VanDerWaalsContact NE2-CB 3.32Å; Q83-E102 VanDerWaalsContact NE2-N 3.13Å; S98-E102 PolarHBondContact O-N 3.01Å; S98-E102 VanDerWaalsContact O-N 3.13Å; N99-E102 WeakPolarHBondContact O-CB 3.45Å; N99-E102 PolarHBondContact O-N 3.42Å; D100-E102 VanDerWaalsContact C-N 3.31Å; E102-L104 PolarHBondContact O-N 3.4Å; E102-R105 WeakPolarHBondContact O-CB 3.43Å; E102-R105 PolarHBondContact O-N 3.08Å; E102-D106 PolarHBondContact O-N 3.36Å |
| 103 | N | 96.7 | Very high | 93.1 | Very high | 81 Ų | 81 | 50.9 Ų | 50.9 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.9 | -34.7 | 175 | -67.4 | -46.2 | 0 | 0 | 0 | 112.1 | L34 N99 D100 L107 | L34-N103 HydrophobicContact CD2-CB 3.76Å; N99-N103 PolarHBondContact O-N 3.34Å; N99-N103 VanDerWaalsContact O-N 3.11Å; N99-N103 PolarHBondContact O-ND2 3.44Å; D100-N103 PolarHBondContact O-N 3.03Å; N103-L107 WeakPolarHBondContact O-CG 3.36Å; N103-L107 PolarHBondContact O-N 3.24Å; N103-L107 VanDerWaalsContact O-N 3.14Å |
| 104 | L | 97.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.2 | -40.2 | 177.1 | -177.8 | 59.4 | 0 | 0 | 0 | 111.9 | T31 L34 I35 I38 L79 D100 L101 E102 L107 L108 L154 | T31-L104 HydrophobicContact CG2-CD1 3.61Å; L34-L104 HydrophobicContact CD2-CB 3.88Å; L34-L104 HydrophobicContact CD2-CD1 4.4Å; I35-L104 HydrophobicContact CD1-CD1 4.15Å; I35-L104 HydrophobicContact CG1-CD1 3.67Å; I35-L104 HydrophobicContact CG1-CD2 3.75Å; I35-L104 HydrophobicContact CG1-CG 4.39Å; I38-L104 HydrophobicContact CD1-CB 4.45Å; I38-L104 HydrophobicContact CD1-CD2 4.07Å; L79-L104 HydrophobicContact CD1-CB 4.32Å; L79-L104 HydrophobicContact CD1-CD2 3.74Å; L79-L104 HydrophobicContact CD1-CG 3.76Å; L79-L104 HydrophobicContact CD2-CD2 3.9Å; D100-L104 WeakPolarHBondContact O-CB 3.46Å; D100-L104 PolarHBondContact O-N 2.88Å; L101-L104 WeakPolarHBondContact O-CB 3.46Å; L101-L104 PolarHBondContact O-N 3.43Å; E102-L104 PolarHBondContact O-N 3.4Å; L104-L107 PolarHBondContact O-N 2.96Å; L104-L108 WeakPolarHBondContact O-CG 3.33Å; L104-L108 PolarHBondContact O-N 2.98Å; L104-L154 HydrophobicContact CD2-CD2 3.64Å |
| 105 | R | 95.3 | Very high | 93.6 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 18% | 0.177 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 174.3 | -69.7 | -180 | 68.9 | -156.7 | -7 | 111.4 | D76 L79 L101 E102 L107 L108 H109 | D76-R105 WeakPolarHBondContact OD1-CB 3.24Å; D76-R105 WeakPolarHBondContact OD1-CG 3.36Å; D76-R105 IonicContact OD1-CZ 3.52Å; D76-R105 IonicContact OD1-NE 2.75Å; D76-R105 PolarHBondContact OD1-NE 3.36Å; D76-R105 IonicContact OD1-NH2 3.73Å; D76-R105 PolarHBondContact OD1-NH2 3.39Å; D76-R105 IonicContact OD2-CZ 3.83Å; D76-R105 IonicContact OD2-NE 3.75Å; D76-R105 IonicContact OD2-NH2 2.88Å; D76-R105 PolarHBondContact OD2-NH2 3.32Å; L79-R105 HydrophobicContact CB-CG 3.66Å; L79-R105 HydrophobicContact CD1-CG 3.77Å; L79-R105 HydrophobicContact CG-CG 4.39Å; L101-R105 WeakPolarHBondContact O-CG 3.42Å; L101-R105 PolarHBondContact O-N 3.31Å; E102-R105 WeakPolarHBondContact O-CB 3.43Å; E102-R105 PolarHBondContact O-N 3.08Å; R105-L107 VanDerWaalsContact C-N 3.29Å; R105-L107 PolarHBondContact O-N 2.76Å; R105-L108 WeakPolarHBondContact O-CB 3.23Å; R105-L108 PolarHBondContact O-N 3.33Å; R105-H109 PolarHBondContact O-CD2 3.39Å; R105-H109 VanDerWaalsContact O-CD2 3.28Å; R105-H109 PolarHBondContact O-N 2.97Å |
| 106 | D | 95.3 | Very high | 93.6 | Very high | 89 Ų | 89 | 53.1 Ų | 53.1 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.6 | -43 | 174.3 | -71.4 | -19.7 | 0 | 0 | 0 | 111.9 | E102 L108 H109 L110 | E102-D106 PolarHBondContact O-N 3.36Å; D106-L108 PolarHBondContact O-N 3.5Å; D106-H109 PolarHBondContact O-N 3.11Å; D106-L110 WeakPolarHBondContact O-CG 3.43Å; D106-L110 PolarHBondContact O-N 2.69Å |
| 107 | L | 95.8 | Very high | 93.6 | Very high | 31 Ų | 31 | 51 Ų | 51 | 16% | 0.162 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 175.5 | -71.5 | 172.6 | 0 | 0 | 0 | 112.7 | V27 D30 L34 N103 L104 R105 L110 L111 | V27-L107 HydrophobicContact CG1-CD2 4.37Å; D30-L107 HydrophobicContact CB-CD1 4.47Å; D30-L107 HydrophobicContact CB-CD2 4.39Å; L34-L107 HydrophobicContact CB-CD1 4.35Å; L34-L107 HydrophobicContact CD2-CD1 3.84Å; N103-L107 WeakPolarHBondContact O-CG 3.36Å; N103-L107 PolarHBondContact O-N 3.24Å; N103-L107 VanDerWaalsContact O-N 3.14Å; L104-L107 PolarHBondContact O-N 2.96Å; R105-L107 VanDerWaalsContact C-N 3.29Å; R105-L107 PolarHBondContact O-N 2.76Å; L107-L110 HydrophobicContact CD2-CD1 4.37Å; L107-L110 PolarHBondContact O-N 3.34Å; L107-L111 WeakPolarHBondContact O-CB 2.84Å; L107-L111 PolarHBondContact O-N 2.02Å |
| 108 | L | 95.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 173.3 | -69.1 | 177.3 | 0 | 0 | 0 | 111.9 | T31 L72 M75 L79 L104 R105 D106 L111 A112 L119 | T31-L108 HydrophobicContact CG2-CD2 4.27Å; L72-L108 HydrophobicContact CD2-CD2 3.88Å; M75-L108 HydrophobicContact CB-CD1 3.69Å; M75-L108 HydrophobicContact SD-CD2 4.14Å; L79-L108 HydrophobicContact CD1-CD1 3.54Å; L104-L108 WeakPolarHBondContact O-CG 3.33Å; L104-L108 PolarHBondContact O-N 2.98Å; R105-L108 WeakPolarHBondContact O-CB 3.23Å; R105-L108 PolarHBondContact O-N 3.33Å; D106-L108 PolarHBondContact O-N 3.5Å; L108-L111 PolarHBondContact O-N 2.87Å; L108-A112 WeakPolarHBondContact O-CB 3.35Å; L108-A112 PolarHBondContact O-N 3.26Å; L108-L119 HydrophobicContact CB-CD1 4.48Å |
| 109 | H | 94.3 | Very high | 93.1 | Very high | 73 Ų | 73 | 58.6 Ų | 58.6 | 34% | 0.338 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 174.2 | -84.8 | -80 | 0 | 0 | 0 | 111.7 | D76 R105 D106 L111 A112 F113 | D76-H109 IonicContact OD1-CD2 2.7Å; D76-H109 IonicContact OD1-NE2 3.67Å; D76-H109 IonicContact OD2-NE2 3.73Å; R105-H109 PolarHBondContact O-CD2 3.39Å; R105-H109 VanDerWaalsContact O-CD2 3.28Å; R105-H109 PolarHBondContact O-N 2.97Å; D106-H109 PolarHBondContact O-N 3.11Å; H109-L111 VanDerWaalsContact C-N 3.34Å; H109-L111 PolarHBondContact O-N 3.27Å; H109-A112 PolarHBondContact O-N 3.26Å; H109-F113 WeakPolarHBondContact O-CB 3.47Å; H109-F113 PolarHBondContact O-N 3.34Å |
| 110 | L | 93.6 | Very high | 92.8 | Very high | 94 Ų | 94 | 58.1 Ų | 58.1 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 173.7 | -73 | 172.3 | 0 | 0 | 0 | 111.9 | V27 D106 L107 F113 S114 | V27-L110 HydrophobicContact CG1-CB 3.94Å; D106-L110 WeakPolarHBondContact O-CG 3.43Å; D106-L110 PolarHBondContact O-N 2.69Å; L107-L110 HydrophobicContact CD2-CD1 4.37Å; L107-L110 PolarHBondContact O-N 3.34Å; L110-F113 PolarHBondContact O-N 2.91Å; L110-S114 WeakPolarHBondContact O-CB 3.02Å; L110-S114 PolarHBondContact O-N 3.2Å |
| 111 | L | 92.9 | Very high | 92 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -43 | 176.8 | -171.8 | 65.7 | 0 | 0 | 0 | 111.1 | I24 V27 Q28 L72 L107 L108 H109 S114 K115 L161 | I24-L111 HydrophobicContact CG2-CD1 4Å; V27-L111 HydrophobicContact CG1-CB 4.17Å; V27-L111 HydrophobicContact CG1-CD1 4.49Å; Q28-L111 HydrophobicContact CB-CD1 4.23Å; L72-L111 HydrophobicContact CD1-CD2 4.27Å; L72-L111 HydrophobicContact CD1-CG 4.23Å; L72-L111 HydrophobicContact CD2-CD2 3.81Å; L107-L111 WeakPolarHBondContact O-CB 2.84Å; L107-L111 PolarHBondContact O-N 2.02Å; L108-L111 PolarHBondContact O-N 2.87Å; H109-L111 VanDerWaalsContact C-N 3.34Å; H109-L111 PolarHBondContact O-N 3.27Å; L111-S114 PolarHBondContact O-N 2.96Å; L111-S114 PolarHBondContact O-OG 2.9Å; L111-K115 PolarHBondContact O-N 3.46Å; L111-L161 HydrophobicContact CD2-CD2 3.63Å |
| 112 | A | 92.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L72 L108 H109 S114 K115 S116 C117 L119 | L72-A112 HydrophobicContact CD1-CB 4.08Å; L108-A112 WeakPolarHBondContact O-CB 3.35Å; L108-A112 PolarHBondContact O-N 3.26Å; H109-A112 PolarHBondContact O-N 3.26Å; A112-S114 VanDerWaalsContact C-N 3.27Å; A112-S114 PolarHBondContact O-N 3.46Å; A112-K115 CarbonylContact O-C 3.53Å; A112-K115 WeakPolarHBondContact O-CA 3.44Å; A112-K115 WeakPolarHBondContact O-CB 3.44Å; A112-K115 PolarHBondContact O-N 3.13Å; A112-S116 PolarHBondContact O-N 3.09Å; A112-C117 CarbonylContact C-O 3.5Å; A112-C117 HydrophobicContact CB-CB 4.18Å; A112-C117 WeakPolarHBondContact O-CB 3.5Å; A112-C117 PolarHBondContact O-N 3.21Å; A112-L119 HydrophobicContact CB-CD1 3.81Å; A112-L119 HydrophobicContact CB-CD2 3.67Å; A112-L119 HydrophobicContact CB-CG 3.5Å |
| 113 | F | 91.7 | Very high | 89.7 | Confident | 163 Ų | 163 | 63.8 Ų | 63.8 | 72% | 0.715 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -56.6 | -43.7 | 174.4 | 178.6 | -99.6 | 0 | 0 | 0 | 111.3 | H109 L110 K115 S116 | H109-F113 WeakPolarHBondContact O-CB 3.47Å; H109-F113 PolarHBondContact O-N 3.34Å; L110-F113 PolarHBondContact O-N 2.91Å; F113-K115 PolarHBondContact O-N 3.48Å; F113-S116 PolarHBondContact O-N 3.42Å |
| 114 | S | 89.3 | Confident | 88.1 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.3 | -23.8 | 177.7 | 82.9 | 0 | 0 | 0 | 0 | 114 | L110 L111 A112 S116 | L110-S114 WeakPolarHBondContact O-CB 3.02Å; L110-S114 PolarHBondContact O-N 3.2Å; L111-S114 PolarHBondContact O-N 2.96Å; L111-S114 PolarHBondContact O-OG 2.9Å; A112-S114 VanDerWaalsContact C-N 3.27Å; A112-S114 PolarHBondContact O-N 3.46Å; S114-S116 VanDerWaalsContact C-N 3.33Å |
| 115 | K | 89.6 | Confident | 86.4 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 4.7 | 172.4 | -69.4 | -178.7 | 173.3 | -178.3 | 0 | 113.3 | L72 L111 A112 F113 C117 P165 | L72-K115 HydrophobicContact CD1-CD 4.09Å; L111-K115 PolarHBondContact O-N 3.46Å; A112-K115 CarbonylContact O-C 3.53Å; A112-K115 WeakPolarHBondContact O-CA 3.44Å; A112-K115 WeakPolarHBondContact O-CB 3.44Å; A112-K115 PolarHBondContact O-N 3.13Å; F113-K115 PolarHBondContact O-N 3.48Å; K115-C117 PolarHBondContact O-N 3.4Å; K115-P165 PolarHBondContact NZ-O 3.37Å |
| 116 | S | 88.6 | Confident | 84.5 | Confident | 121 Ų | 121 | 69 Ų | 69 | 85% | 0.846 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 33.8 | -173.3 | -56.4 | 0 | 0 | 0 | 0 | 113.4 | A112 F113 S114 | A112-S116 PolarHBondContact O-N 3.09Å; F113-S116 PolarHBondContact O-N 3.42Å; S114-S116 VanDerWaalsContact C-N 3.33Å |
| 117 | C | 90 | Very high | 82.5 | Confident | 39 Ų | 39 | 68.9 Ų | 68.9 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | trans | -105.3 | 150.5 | 175.6 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | A112 K115 C167 | A112-C117 CarbonylContact C-O 3.5Å; A112-C117 HydrophobicContact CB-CB 4.18Å; A112-C117 WeakPolarHBondContact O-CB 3.5Å; A112-C117 PolarHBondContact O-N 3.21Å; K115-C117 PolarHBondContact O-N 3.4Å; C117-C167 HydrophobicContact CB-CB 3.46Å; C117-C167 VanDerWaalsContact CB-CB 3.46Å; C117-C167 WeakPolarHBondContact CB-SG 3.39Å; C117-C167 WeakPolarHBondContact SG-CB 3.45Å; C117-C167 CovalentContact SG-SG 2.02Å; C117-C167 PolarHBondContact SG-SG 3.45Å | ||
| 118 | H | 89 | Confident | 80.5 | Confident | 166 Ų | 166 | 71.1 Ų | 71.1 | 77% | 0.769 | 39% | 0.387 | S | S | * | . | trans | -104.8 | 126.5 | 167.4 | -169.8 | -77.7 | 0 | 0 | 0 | 109 | ||||
| 119 | L | 88.4 | Confident | 78.5 | Confident | 7 Ų | 7 | 79.7 Ų | 79.7 | 4% | 0.037 | 43% | 0.427 | C | S | . | . | trans | -86.1 | 124.9 | 170 | -58.1 | -174.2 | 0 | 0 | 0 | 108.1 | L72 D76 L108 A112 | L72-L119 HydrophobicContact CB-CD2 3.84Å; D76-L119 HydrophobicContact CB-CD1 4.25Å; L108-L119 HydrophobicContact CB-CD1 4.48Å; A112-L119 HydrophobicContact CB-CD1 3.81Å; A112-L119 HydrophobicContact CB-CD2 3.67Å; A112-L119 HydrophobicContact CB-CG 3.5Å | ||
| 120 | P | 86.1 | Confident | 76.7 | Confident | 70 Ų | 70 | 78.9 Ų | 78.9 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | trans | -56.8 | 148.7 | 172.4 | 25.9 | -32.8 | 0 | 0 | 0 | 109.3 | S73 A122 | S73-P120 WeakPolarHBondContact OG-CD 3.34Å; S73-P120 WeakPolarHBondContact OG-CG 3.39Å; P120-A122 PolarHBondContact O-N 3.02Å | ||
| 121 | L | 79.6 | Confident | 75.1 | Confident | 159 Ų | 159 | 74.5 Ų | 74.5 | 83% | 0.832 | 41% | 0.406 | S | S | * | . | trans | -59 | 115.9 | 175.3 | -179.1 | 67.1 | 0 | 0 | 0 | 108.1 | S123 | L121-S123 PolarHBondContact O-N 2.75Š| ||
| 122 | A | 77.1 | Confident | 73.5 | Confident | 15 Ų | 15 | 76 Ų | 76 | 12% | 0.124 | 42% | 0.422 | C | S | . | . | trans | -63.3 | 112.1 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | D76 A80 P120 G124 | D76-A122 WeakPolarHBondContact OD2-CB 3.38Å; A80-A122 HydrophobicContact CB-CB 3.64Å; P120-A122 PolarHBondContact O-N 3.02Å; A122-G124 PolarHBondContact O-N 3.13Å | ||
| 123 | S | 66.4 | Low | 72 | Confident | 70 Ų | 70 | 81.8 Ų | 81.8 | 49% | 0.49 | 45% | 0.453 | S | S | . | . | trans | -79.2 | 111.8 | 167.4 | 54.6 | 0 | 0 | 0 | 0 | 106.7 | Q77 L121 | Q77-S123 PolarHBondContact NE2-O 3.37Å; Q77-S123 PolarHBondContact OE1-O 3.23Å; L121-S123 PolarHBondContact O-N 2.75Å | ||
| 124 | G | 62.1 | Low | 70.5 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 17% | 0.165 | 43% | 0.433 | C | S | . | . | trans | -58.7 | 171.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q84 A122 E126 | Q84-G124 VanDerWaalsContact CD-CA 3.45Å; Q84-G124 VanDerWaalsContact NE2-CA 3.34Å; Q84-G124 VanDerWaalsContact OE1-C 3.26Å; A122-G124 PolarHBondContact O-N 3.13Å; G124-E126 PolarHBondContact O-N 3.11Å | ||
| 125 | L | 61.5 | Low | 69.2 | Low | 40 Ų | 40 | 75.1 Ų | 75.1 | 21% | 0.209 | 42% | 0.424 | C | S | . | . | trans | -48.1 | 114 | -178.7 | -133.8 | 89.2 | 0 | 0 | 0 | 110.2 | F62 I81 T127 L131 | F62-L125 HydrophobicContact CB-CD2 4.42Å; I81-L125 HydrophobicContact CD1-CD1 4.46Å; I81-L125 HydrophobicContact CG1-CD1 4.36Å; I81-L125 HydrophobicContact CG2-CD1 4.01Å; L125-T127 PolarHBondContact O-N 2.59Å; L125-L131 HydrophobicContact CD2-CD1 3.93Å | ||
| 126 | E | 55 | Low | 67.7 | Low | 184 Ų | 184 | 79.7 Ų | 79.7 | 86% | 0.86 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -62.7 | -11.5 | 175.8 | -71.8 | -176.9 | 155.8 | 0 | 0 | 112.3 | G124 | G124-E126 PolarHBondContact O-N 3.11Š|
| 127 | T | 52.8 | Low | 66.5 | Low | 85 Ų | 85 | 78 Ų | 78 | 52% | 0.521 | 44% | 0.44 | S | S | . | . | trans | -111 | 49.5 | -173.6 | 31.3 | 0 | 0 | 0 | 0 | 112.7 | L125 E129 S130 | L125-T127 PolarHBondContact O-N 2.59Å; T127-E129 PolarHBondContact O-N 2.71Å; T127-S130 PolarHBondContact O-N 3.02Å; T127-S130 PolarHBondContact O-OG 2.81Å | ||
| 128 | L | 54 | Low | 65.4 | Low | 78 Ų | 78 | 78.7 Ų | 78.7 | 41% | 0.408 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.9 | -22.9 | 175.8 | -146.6 | 141.4 | 0 | 0 | 0 | 112.8 | S130 L131 | L128-S130 PolarHBondContact O-N 3.47Å; L128-L131 HydrophobicContact CG-CD1 4.33Å; L128-L131 WeakPolarHBondContact O-CB 3.38Å; L128-L131 PolarHBondContact O-N 2.99Å |
| 129 | E | 54.6 | Low | 64.4 | Low | 183 Ų | 183 | 74.2 Ų | 74.2 | 86% | 0.855 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.9 | -30.2 | 174.8 | -153.5 | 169.2 | -157 | 0 | 0 | 112.2 | T127 | T127-E129 PolarHBondContact O-N 2.71Å |
| 130 | S | 56 | Low | 63.5 | Low | 55 Ų | 55 | 79.4 Ų | 79.4 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -80.7 | -19.4 | 176.5 | 73.4 | 0 | 0 | 0 | 0 | 114.4 | T127 L128 | T127-S130 PolarHBondContact O-N 3.02Å; T127-S130 PolarHBondContact O-OG 2.81Å; L128-S130 PolarHBondContact O-N 3.47Å |
| 131 | L | 60 | Low | 62.9 | Low | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.01 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -74 | -37.1 | 179.3 | -91.3 | 154 | 0 | 0 | 0 | 111.1 | F62 I85 L125 L128 V134 L135 | F62-L131 HydrophobicContact CD2-CD2 3.51Å; F62-L131 HydrophobicContact CD2-CG 4.28Å; F62-L131 HydrophobicContact CE2-CD2 3.19Å; F62-L131 HydrophobicContact CE2-CG 4.33Å; F62-L131 HydrophobicContact CG-CD2 4.36Å; F62-L131 HydrophobicContact CZ-CD2 3.8Å; I85-L131 HydrophobicContact CG1-CD2 4.15Å; L125-L131 HydrophobicContact CD2-CD1 3.93Å; L128-L131 HydrophobicContact CG-CD1 4.33Å; L128-L131 WeakPolarHBondContact O-CB 3.38Å; L128-L131 PolarHBondContact O-N 2.99Å; L131-V134 PolarHBondContact O-N 3.21Å; L131-L135 HydrophobicContact CB-CD1 4.23Å; L131-L135 HydrophobicContact CD2-CD1 4.28Å; L131-L135 VanDerWaalsContact O-CB 3.24Å; L131-L135 WeakPolarHBondContact O-CB 3.33Å; L131-L135 VanDerWaalsContact O-CD1 3.31Å; L131-L135 WeakPolarHBondContact O-CD1 3.5Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.07Å |
| 132 | G | 59.8 | Low | 62.9 | Low | 34 Ų | 34 | 70 Ų | 70 | 35% | 0.351 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.1 | -52.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V134 L135 E136 | G132-V134 VanDerWaalsContact C-N 3.31Å; G132-V134 PolarHBondContact O-N 2.92Å; G132-L135 PolarHBondContact O-N 3.46Å; G132-E136 WeakPolarHBondContact O-CG 3.38Å; G132-E136 PolarHBondContact O-N 2.67Å |
| 133 | D | 59.9 | Low | 63.2 | Low | 124 Ų | 124 | 70 Ų | 70 | 66% | 0.663 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.9 | -35.7 | -177.4 | -68.9 | -11.2 | 0 | 0 | 0 | 113 | A137 | D133-A137 PolarHBondContact O-N 2.99Å |
| 134 | V | 60.3 | Low | 64 | Low | 48 Ų | 48 | 68.3 Ų | 68.3 | 29% | 0.291 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -80.7 | -36.2 | 179.4 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | L60 F62 L131 G132 A137 | L60-V134 HydrophobicContact CD2-CG1 3.78Å; F62-V134 HydrophobicContact CE1-CB 4.17Å; F62-V134 HydrophobicContact CE1-CG1 3.88Å; F62-V134 HydrophobicContact CE1-CG2 4.47Å; F62-V134 HydrophobicContact CZ-CG1 4.39Å; L131-V134 PolarHBondContact O-N 3.21Å; G132-V134 VanDerWaalsContact C-N 3.31Å; G132-V134 PolarHBondContact O-N 2.92Å; V134-A137 PolarHBondContact O-N 3.4Å |
| 135 | L | 61.6 | Low | 65 | Low | 9 Ų | 9 | 68.7 Ų | 68.7 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 173.9 | -79.3 | 162.8 | 0 | 0 | 0 | 111.1 | N88 L89 L131 G132 A137 S138 L139 T142 | N88-L135 HydrophobicContact CB-CD1 3.64Å; L89-L135 HydrophobicContact CD2-CD2 3.42Å; L89-L135 VanDerWaalsContact CD2-CD2 3.42Å; L89-L135 HydrophobicContact CG-CD2 4.21Å; L131-L135 HydrophobicContact CB-CD1 4.23Å; L131-L135 HydrophobicContact CD2-CD1 4.28Å; L131-L135 VanDerWaalsContact O-CB 3.24Å; L131-L135 WeakPolarHBondContact O-CB 3.33Å; L131-L135 VanDerWaalsContact O-CD1 3.31Å; L131-L135 WeakPolarHBondContact O-CD1 3.5Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.07Å; G132-L135 PolarHBondContact O-N 3.46Å; L135-A137 VanDerWaalsContact C-N 3.31Å; L135-A137 PolarHBondContact O-N 3.33Å; L135-S138 CarbonylContact O-C 3.34Å; L135-S138 PolarHBondContact O-N 2.88Å; L135-L139 HydrophobicContact CB-CD2 3.92Å; L135-L139 HydrophobicContact CD2-CD2 3.97Å; L135-L139 VanDerWaalsContact O-CD2 3.23Å; L135-L139 WeakPolarHBondContact O-CD2 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.33Å; L135-L139 PolarHBondContact O-N 3.14Å; L135-L139 VanDerWaalsContact O-N 3.15Å; L135-T142 HydrophobicContact CD2-CG2 3.55Å; L135-T142 HydrophobicContact CG-CG2 4.4Å |
| 136 | E | 59.4 | Low | 66.2 | Low | 168 Ų | 168 | 66.8 Ų | 66.8 | 79% | 0.785 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.3 | -36.3 | 177.2 | -78.7 | -165.5 | 173.4 | 0 | 0 | 113 | G132 S138 | G132-E136 WeakPolarHBondContact O-CG 3.38Å; G132-E136 PolarHBondContact O-N 2.67Å; E136-S138 PolarHBondContact O-N 2.9Å |
| 137 | A | 61.8 | Low | 67.8 | Low | 87 Ų | 87 | 58.2 Ų | 58.2 | 72% | 0.719 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.4 | -32.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D133 V134 L135 | D133-A137 PolarHBondContact O-N 2.99Å; V134-A137 PolarHBondContact O-N 3.4Å; L135-A137 VanDerWaalsContact C-N 3.31Å; L135-A137 PolarHBondContact O-N 3.33Å |
| 138 | S | 67.9 | Low | 69.4 | Low | 52 Ų | 52 | 57.4 Ų | 57.4 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | trans | -168.9 | 85.2 | 178.9 | 161 | 0 | 0 | 0 | 0 | 112.7 | L135 E136 Y140 S141 T142 | L135-S138 CarbonylContact O-C 3.34Å; L135-S138 PolarHBondContact O-N 2.88Å; E136-S138 PolarHBondContact O-N 2.9Å; S138-Y140 PolarHBondContact O-N 2.95Å; S138-S141 PolarHBondContact O-N 3.39Å; S138-S141 WeakPolarHBondContact OG-CB 3.45Å; S138-S141 PolarHBondContact OG-N 2.7Å; S138-T142 PolarHBondContact O-N 3.35Å; S138-T142 VanDerWaalsContact O-N 3.14Å; S138-T142 PolarHBondContact O-OG1 2.88Å | ||
| 139 | L | 68.7 | Low | 71 | Confident | 73 Ų | 73 | 57 Ų | 57 | 38% | 0.382 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 176.1 | -69.1 | 171.6 | 0 | 0 | 0 | 113.4 | L89 P90 L135 T142 E143 | L89-L139 HydrophobicContact CD2-CD2 4.4Å; P90-L139 HydrophobicContact CG-CD1 4.05Å; L135-L139 HydrophobicContact CB-CD2 3.92Å; L135-L139 HydrophobicContact CD2-CD2 3.97Å; L135-L139 VanDerWaalsContact O-CD2 3.23Å; L135-L139 WeakPolarHBondContact O-CD2 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.25Å; L135-L139 WeakPolarHBondContact O-CG 3.33Å; L135-L139 PolarHBondContact O-N 3.14Å; L135-L139 VanDerWaalsContact O-N 3.15Å; L139-T142 PolarHBondContact O-N 2.83Å; L139-E143 PolarHBondContact O-N 2.69Å |
| 140 | Y | 68.5 | Low | 72.8 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | -176.5 | -174 | -101.8 | 0 | 0 | 0 | 112.7 | V51 S138 T142 E143 V144 | V51-Y140 HydrophobicContact CG2-CE1 3.84Å; V51-Y140 WeakPolarHBondContact CG2-OH 3.45Å; S138-Y140 PolarHBondContact O-N 2.95Å; Y140-T142 VanDerWaalsContact C-N 3.25Å; Y140-T142 PolarHBondContact O-N 3.18Å; Y140-E143 PolarHBondContact O-N 3.32Å; Y140-V144 HydrophobicContact CE1-CG2 4.29Å; Y140-V144 WeakPolarHBondContact O-CG2 3.3Å; Y140-V144 PolarHBondContact O-N 2.87Å |
| 141 | S | 73.9 | Confident | 74.6 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.9 | -31.7 | 175.6 | -168.2 | 0 | 0 | 0 | 0 | 112 | V57 S138 V145 | V57-S141 WeakPolarHBondContact CG2-OG 3.29Å; S138-S141 PolarHBondContact O-N 3.39Å; S138-S141 WeakPolarHBondContact OG-CB 3.45Å; S138-S141 PolarHBondContact OG-N 2.7Å; S141-V145 WeakPolarHBondContact O-CB 3.3Å; S141-V145 VanDerWaalsContact O-CG2 3.25Å; S141-V145 WeakPolarHBondContact O-CG2 3.49Å; S141-V145 PolarHBondContact O-N 3.43Å |
| 142 | T | 79.1 | Confident | 76 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.5 | -41.9 | 178.5 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | L60 F62 L89 L135 S138 L139 Y140 V145 A146 | L60-T142 HydrophobicContact CD2-CG2 4.17Å; F62-T142 HydrophobicContact CZ-CG2 4.37Å; L89-T142 HydrophobicContact CD2-CG2 4.4Å; L135-T142 HydrophobicContact CD2-CG2 3.55Å; L135-T142 HydrophobicContact CG-CG2 4.4Å; S138-T142 PolarHBondContact O-N 3.35Å; S138-T142 VanDerWaalsContact O-N 3.14Å; S138-T142 PolarHBondContact O-OG1 2.88Å; L139-T142 PolarHBondContact O-N 2.83Å; Y140-T142 VanDerWaalsContact C-N 3.25Å; Y140-T142 PolarHBondContact O-N 3.18Å; T142-V145 PolarHBondContact O-N 2.99Å; T142-A146 WeakPolarHBondContact O-CB 3.22Å; T142-A146 PolarHBondContact O-N 3.34Å |
| 143 | E | 83.7 | Confident | 77.6 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57 | -51.6 | 174.5 | -178.2 | 176.6 | 168.7 | 0 | 0 | 111.5 | L89 S91 V94 L139 Y140 V145 A146 L147 | L89-E143 HydrophobicContact CD1-CB 4.1Å; L89-E143 HydrophobicContact CD1-CG 4.41Å; L89-E143 HydrophobicContact CD2-CB 4.23Å; S91-E143 PolarHBondContact OG-OE1 3.28Å; V94-E143 HydrophobicContact CG2-CG 3.96Å; V94-E143 WeakPolarHBondContact CG2-OE1 3.45Å; L139-E143 PolarHBondContact O-N 2.69Å; Y140-E143 PolarHBondContact O-N 3.32Å; E143-V145 PolarHBondContact O-N 3.5Å; E143-A146 PolarHBondContact O-N 3.14Å; E143-L147 HydrophobicContact CG-CD1 3.86Å; E143-L147 HydrophobicContact CG-CG 4.37Å; E143-L147 WeakPolarHBondContact O-CB 3.5Å; E143-L147 VanDerWaalsContact O-CG 3.26Å; E143-L147 WeakPolarHBondContact O-CG 3.34Å; E143-L147 PolarHBondContact O-N 3.05Å |
| 144 | V | 82.5 | Confident | 79.2 | Confident | 35 Ų | 35 | 40.6 Ų | 40.6 | 21% | 0.212 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | -178 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | V51 Y140 S148 | V51-V144 HydrophobicContact CB-CG1 4.37Å; V51-V144 HydrophobicContact CG1-CG1 4.03Å; V51-V144 HydrophobicContact CG1-CG2 4.48Å; V51-V144 HydrophobicContact CG2-CG2 4.25Å; Y140-V144 HydrophobicContact CE1-CG2 4.29Å; Y140-V144 WeakPolarHBondContact O-CG2 3.3Å; Y140-V144 PolarHBondContact O-N 2.87Å; V144-S148 VanDerWaalsContact O-CB 3.28Å; V144-S148 WeakPolarHBondContact O-CB 3.49Å; V144-S148 PolarHBondContact O-N 3.49Å |
| 145 | V | 83.3 | Confident | 80.8 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.8 | -40.3 | -178.5 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | V57 L60 I63 S141 T142 E143 S148 R149 | V57-V145 HydrophobicContact CG2-CG2 4.22Å; L60-V145 HydrophobicContact CD1-CB 3.62Å; L60-V145 HydrophobicContact CD1-CG1 3.65Å; L60-V145 HydrophobicContact CD1-CG2 3.77Å; I63-V145 HydrophobicContact CD1-CB 4.47Å; I63-V145 HydrophobicContact CD1-CG1 4.05Å; S141-V145 WeakPolarHBondContact O-CB 3.3Å; S141-V145 VanDerWaalsContact O-CG2 3.25Å; S141-V145 WeakPolarHBondContact O-CG2 3.49Å; S141-V145 PolarHBondContact O-N 3.43Å; T142-V145 PolarHBondContact O-N 2.99Å; E143-V145 PolarHBondContact O-N 3.5Å; V145-S148 PolarHBondContact O-N 3.07Å; V145-R149 HydrophobicContact CG1-CG 4.41Å; V145-R149 WeakPolarHBondContact O-CG 3.49Å; V145-R149 PolarHBondContact O-N 3.28Å |
| 146 | A | 86.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I63 I85 L89 T142 E143 R149 L150 | I63-A146 HydrophobicContact CD1-CB 4.12Å; I85-A146 HydrophobicContact CG2-CB 3.87Å; L89-A146 HydrophobicContact CD1-CB 4.42Å; T142-A146 WeakPolarHBondContact O-CB 3.22Å; T142-A146 PolarHBondContact O-N 3.34Å; E143-A146 PolarHBondContact O-N 3.14Å; A146-R149 PolarHBondContact O-N 2.91Å; A146-L150 VanDerWaalsContact O-CB 3.23Å; A146-L150 WeakPolarHBondContact O-CB 3.48Å; A146-L150 PolarHBondContact O-N 2.9Å |
| 147 | L | 89.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 178.6 | -68.6 | 179.7 | 0 | 0 | 0 | 112.2 | I42 I45 L86 V94 I97 E143 L150 Q151 | I42-L147 HydrophobicContact CG1-CD2 4.37Å; I42-L147 HydrophobicContact CG2-CB 4.11Å; I45-L147 HydrophobicContact CD1-CD1 4.01Å; I45-L147 HydrophobicContact CG2-CD1 4.05Å; L86-L147 HydrophobicContact CD2-CD2 4.07Å; V94-L147 HydrophobicContact CG2-CD1 4.42Å; I97-L147 HydrophobicContact CD1-CD2 3.79Å; E143-L147 HydrophobicContact CG-CD1 3.86Å; E143-L147 HydrophobicContact CG-CG 4.37Å; E143-L147 WeakPolarHBondContact O-CB 3.5Å; E143-L147 VanDerWaalsContact O-CG 3.26Å; E143-L147 WeakPolarHBondContact O-CG 3.34Å; E143-L147 PolarHBondContact O-N 3.05Å; L147-L150 PolarHBondContact O-N 2.85Å; L147-Q151 WeakPolarHBondContact O-CB 3.43Å; L147-Q151 PolarHBondContact O-N 3.2Å |
| 148 | S | 86.6 | Confident | 85.4 | Confident | 68 Ų | 68 | 34.9 Ų | 34.9 | 48% | 0.476 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | V144 V145 Q151 G152 | V144-S148 VanDerWaalsContact O-CB 3.28Å; V144-S148 WeakPolarHBondContact O-CB 3.49Å; V144-S148 PolarHBondContact O-N 3.49Å; V145-S148 PolarHBondContact O-N 3.07Å; S148-Q151 PolarHBondContact O-N 2.91Å; S148-G152 PolarHBondContact O-N 3Å |
| 149 | R | 88.6 | Confident | 86.5 | Confident | 71 Ų | 71 | 40.1 Ų | 40.1 | 27% | 0.268 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 176.7 | -68.1 | -174.9 | -175.5 | 179.1 | 11.1 | 111.6 | L60 I63 Y82 V145 A146 Q151 G152 S153 | L60-R149 PolarHBondContact O-NH1 3.45Å; I63-R149 HydrophobicContact CG2-CB 4Å; I63-R149 HydrophobicContact CG2-CG 4.33Å; I63-R149 PolarHBondContact O-NH1 3.44Å; Y82-R149 HydrophobicContact CE1-CB 4.44Å; Y82-R149 WeakPolarHBondContact OH-CB 3.42Å; Y82-R149 PolarHBondContact OH-O 3.2Å; V145-R149 HydrophobicContact CG1-CG 4.41Å; V145-R149 WeakPolarHBondContact O-CG 3.49Å; V145-R149 PolarHBondContact O-N 3.28Å; A146-R149 PolarHBondContact O-N 2.91Å; R149-Q151 VanDerWaalsContact C-N 3.32Å; R149-Q151 PolarHBondContact O-N 3.31Å; R149-G152 PolarHBondContact O-N 3.11Å; R149-G152 VanDerWaalsContact O-N 3.15Å; R149-S153 PolarHBondContact O-N 3.15Å; R149-S153 PolarHBondContact O-OG 3.27Å |
| 150 | L | 92.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.7 | -45.5 | 174.7 | 173.1 | 60.3 | 0 | 0 | 0 | 111.2 | I42 Y82 L86 I97 L101 A146 L147 G152 S153 L154 | I42-L150 HydrophobicContact CD1-CB 4.49Å; I42-L150 HydrophobicContact CD1-CD2 3.96Å; I42-L150 HydrophobicContact CD1-CG 4Å; Y82-L150 HydrophobicContact CD1-CB 3.85Å; Y82-L150 HydrophobicContact CD1-CD1 4.23Å; Y82-L150 HydrophobicContact CD1-CG 4.47Å; Y82-L150 HydrophobicContact CD2-CB 4.49Å; Y82-L150 HydrophobicContact CD2-CD1 3.64Å; Y82-L150 HydrophobicContact CE1-CB 3.7Å; Y82-L150 HydrophobicContact CE2-CB 4.36Å; Y82-L150 HydrophobicContact CE2-CD1 4.05Å; Y82-L150 HydrophobicContact CG-CB 4.26Å; Y82-L150 HydrophobicContact CG-CD1 3.75Å; Y82-L150 HydrophobicContact CG-CG 4.45Å; Y82-L150 PolarHBondContact OH-N 3.07Å; L86-L150 HydrophobicContact CD1-CD2 4.09Å; I97-L150 HydrophobicContact CG2-CD2 3.82Å; L101-L150 HydrophobicContact CD1-CD1 4.29Å; L101-L150 HydrophobicContact CD1-CD2 4.08Å; L101-L150 HydrophobicContact CD2-CD1 3.94Å; L101-L150 HydrophobicContact CD2-CD2 4.25Å; A146-L150 VanDerWaalsContact O-CB 3.23Å; A146-L150 WeakPolarHBondContact O-CB 3.48Å; A146-L150 PolarHBondContact O-N 2.9Å; L147-L150 PolarHBondContact O-N 2.85Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 2.92Å; L150-S153 PolarHBondContact O-N 2.92Å; L150-L154 HydrophobicContact CD1-CD1 3.93Å; L150-L154 HydrophobicContact CD1-CD2 4.49Å; L150-L154 HydrophobicContact CD1-CG 3.91Å; L150-L154 HydrophobicContact CG-CD1 3.85Å; L150-L154 HydrophobicContact CG-CG 4.3Å; L150-L154 WeakPolarHBondContact O-CB 3.37Å; L150-L154 VanDerWaalsContact O-CG 3.25Å; L150-L154 WeakPolarHBondContact O-CG 3.35Å; L150-L154 PolarHBondContact O-N 3.28Å |
| 151 | Q | 92.5 | Very high | 88.8 | Confident | 34 Ų | 34 | 32.5 Ų | 32.5 | 16% | 0.159 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.5 | -46.1 | 176.5 | 174.5 | 178.2 | 69.6 | 0 | 0 | 111.8 | V39 I42 N43 L147 S148 R149 L154 Q155 | V39-Q151 HydrophobicContact CG1-CG 4.26Å; I42-Q151 HydrophobicContact CD1-CB 4.14Å; I42-Q151 HydrophobicContact CG2-CB 4.14Å; N43-Q151 VanDerWaalsContact CG-NE2 3.29Å; N43-Q151 PolarHBondContact ND2-NE2 2.92Å; N43-Q151 PolarHBondContact OD1-NE2 3.28Å; L147-Q151 WeakPolarHBondContact O-CB 3.43Å; L147-Q151 PolarHBondContact O-N 3.2Å; S148-Q151 PolarHBondContact O-N 2.91Å; R149-Q151 VanDerWaalsContact C-N 3.32Å; R149-Q151 PolarHBondContact O-N 3.31Å; Q151-L154 PolarHBondContact O-N 2.89Å; Q151-Q155 WeakPolarHBondContact O-CG 3.43Å; Q151-Q155 PolarHBondContact O-N 3.33Å |
| 152 | G | 90.4 | Very high | 89.5 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S148 R149 L150 L154 Q155 D156 | S148-G152 PolarHBondContact O-N 3Å; R149-G152 PolarHBondContact O-N 3.11Å; R149-G152 VanDerWaalsContact O-N 3.15Å; L150-G152 VanDerWaalsContact C-N 3.31Å; L150-G152 PolarHBondContact O-N 2.92Å; G152-L154 VanDerWaalsContact C-N 3.3Å; G152-L154 PolarHBondContact O-N 3.37Å; G152-Q155 WeakPolarHBondContact O-CB 3.33Å; G152-Q155 PolarHBondContact O-N 2.79Å; G152-Q155 VanDerWaalsContact O-N 3.14Å; G152-D156 PolarHBondContact O-N 3.47Å |
| 153 | S | 92.4 | Very high | 90 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -40 | 175 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | Y82 R149 L150 D156 M157 | Y82-S153 PolarHBondContact OH-OG 3.39Å; R149-S153 PolarHBondContact O-N 3.15Å; R149-S153 PolarHBondContact O-OG 3.27Å; L150-S153 PolarHBondContact O-N 2.92Å; S153-D156 PolarHBondContact O-N 3.25Å; S153-M157 WeakPolarHBondContact O-CG 3.48Å; S153-M157 PolarHBondContact O-N 3.35Å |
| 154 | L | 94.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | 176.4 | -75.6 | 171.2 | 0 | 0 | 0 | 112.2 | I35 I38 V39 I42 L79 L104 L150 Q151 G152 M157 L158 | I35-L154 HydrophobicContact CG1-CD2 4.27Å; I35-L154 HydrophobicContact CG2-CB 4.06Å; I35-L154 HydrophobicContact CG2-CD2 4.34Å; I35-L154 VanDerWaalsContact CG2-O 3.29Å; I35-L154 WeakPolarHBondContact CG2-O 3.39Å; I38-L154 HydrophobicContact CB-CD1 3.97Å; I38-L154 HydrophobicContact CG2-CD1 3.41Å; I38-L154 VanDerWaalsContact CG2-CD1 3.41Å; V39-L154 HydrophobicContact CG2-CB 3.8Å; V39-L154 HydrophobicContact CG2-CD1 4.15Å; I42-L154 HydrophobicContact CD1-CD1 4.03Å; L79-L154 HydrophobicContact CD2-CD2 4.23Å; L104-L154 HydrophobicContact CD2-CD2 3.64Å; L150-L154 HydrophobicContact CD1-CD1 3.93Å; L150-L154 HydrophobicContact CD1-CD2 4.49Å; L150-L154 HydrophobicContact CD1-CG 3.91Å; L150-L154 HydrophobicContact CG-CD1 3.85Å; L150-L154 HydrophobicContact CG-CG 4.3Å; L150-L154 WeakPolarHBondContact O-CB 3.37Å; L150-L154 VanDerWaalsContact O-CG 3.25Å; L150-L154 WeakPolarHBondContact O-CG 3.35Å; L150-L154 PolarHBondContact O-N 3.28Å; Q151-L154 PolarHBondContact O-N 2.89Å; G152-L154 VanDerWaalsContact C-N 3.3Å; G152-L154 PolarHBondContact O-N 3.37Å; L154-M157 HydrophobicContact CD2-SD 4.31Å; L154-M157 PolarHBondContact O-N 3.07Å; L154-L158 WeakPolarHBondContact O-CB 3.48Å; L154-L158 PolarHBondContact O-N 3.34Å |
| 155 | Q | 92.9 | Very high | 90.5 | Very high | 101 Ų | 101 | 42.1 Ų | 42.1 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 174.5 | -71.7 | 172.9 | -2 | 0 | 0 | 111.6 | V39 Q151 G152 L158 W159 | V39-Q155 HydrophobicContact CG2-CG 4.5Å; Q151-Q155 WeakPolarHBondContact O-CG 3.43Å; Q151-Q155 PolarHBondContact O-N 3.33Å; G152-Q155 WeakPolarHBondContact O-CB 3.33Å; G152-Q155 PolarHBondContact O-N 2.79Å; G152-Q155 VanDerWaalsContact O-N 3.14Å; Q155-L158 WeakPolarHBondContact O-CB 3.37Å; Q155-L158 PolarHBondContact O-N 2.84Å; Q155-W159 PolarHBondContact O-N 2.97Å; Q155-W159 VanDerWaalsContact O-N 3.07Å |
| 156 | D | 91.7 | Very high | 90.8 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62 | -44.8 | 174.3 | -74.2 | -12.7 | 0 | 0 | 0 | 111.2 | L66 L70 G152 S153 L158 W159 Q160 | L66-D156 WeakPolarHBondContact CD2-OD2 3.41Å; L70-D156 HydrophobicContact CD1-CB 3.89Å; G152-D156 PolarHBondContact O-N 3.47Å; S153-D156 PolarHBondContact O-N 3.25Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3Å; D156-W159 PolarHBondContact O-N 3.46Å; D156-Q160 WeakPolarHBondContact O-CB 3.26Å; D156-Q160 VanDerWaalsContact O-CG 3.23Å; D156-Q160 WeakPolarHBondContact O-CG 3.39Å; D156-Q160 PolarHBondContact O-N 3.28Å |
| 157 | M | 94.1 | Very high | 91 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59 | -43.4 | 174.8 | -70.9 | 171.2 | -169.3 | 0 | 0 | 111.6 | I35 L70 M75 T78 L79 S153 L154 W159 Q160 L161 | I35-M157 HydrophobicContact CD1-CB 4.19Å; L70-M157 HydrophobicContact CD1-CG 4.03Å; M75-M157 HydrophobicContact CB-CE 4.22Å; M75-M157 HydrophobicContact CB-CG 4.35Å; M75-M157 HydrophobicContact CB-SD 4.36Å; M75-M157 HydrophobicContact CE-CG 4.48Å; M75-M157 HydrophobicContact CG-CG 3.86Å; M75-M157 HydrophobicContact SD-CB 4.28Å; M75-M157 HydrophobicContact SD-CG 4.07Å; T78-M157 HydrophobicContact CG2-CE 3.84Å; L79-M157 HydrophobicContact CD1-SD 4.45Å; L79-M157 HydrophobicContact CD2-CE 3.94Å; L79-M157 HydrophobicContact CD2-SD 4.03Å; L79-M157 HydrophobicContact CG-CE 3.92Å; L79-M157 HydrophobicContact CG-SD 4.24Å; S153-M157 WeakPolarHBondContact O-CG 3.48Å; S153-M157 PolarHBondContact O-N 3.35Å; L154-M157 HydrophobicContact CD2-SD 4.31Å; L154-M157 PolarHBondContact O-N 3.07Å; M157-W159 VanDerWaalsContact C-N 3.33Å; M157-W159 PolarHBondContact O-N 2.93Å; M157-Q160 PolarHBondContact O-N 2.69Å; M157-L161 WeakPolarHBondContact O-CB 3.47Å; M157-L161 VanDerWaalsContact O-CG 3.23Å; M157-L161 WeakPolarHBondContact O-CG 3.44Å; M157-L161 PolarHBondContact O-N 2.77Å |
| 158 | L | 94.2 | Very high | 91 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 178.3 | -168.7 | 72 | 0 | 0 | 0 | 111.1 | K32 I35 K36 L154 Q155 D156 L161 D162 | K32-L158 HydrophobicContact CB-CD1 3.75Å; K32-L158 HydrophobicContact CG-CD1 3.81Å; I35-L158 HydrophobicContact CB-CD1 4.16Å; I35-L158 HydrophobicContact CD1-CD1 4.48Å; I35-L158 HydrophobicContact CG2-CB 4.02Å; I35-L158 HydrophobicContact CG2-CD1 3.97Å; I35-L158 HydrophobicContact CG2-CG 4.47Å; K36-L158 HydrophobicContact CG-CD1 4.35Å; K36-L158 HydrophobicContact CG-CD2 4.17Å; L154-L158 WeakPolarHBondContact O-CB 3.48Å; L154-L158 PolarHBondContact O-N 3.34Å; Q155-L158 WeakPolarHBondContact O-CB 3.37Å; Q155-L158 PolarHBondContact O-N 2.84Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3Å; L158-L161 PolarHBondContact O-N 3.13Å; L158-D162 PolarHBondContact O-N 3.36Å |
| 159 | W | 91.8 | Very high | 91.3 | Very high | 163 Ų | 163 | 47.5 Ų | 47.5 | 62% | 0.617 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.9 | -46.9 | 176.8 | 175.6 | -102 | 0 | 0 | 0 | 111.9 | Q155 D156 M157 L161 D162 L163 | Q155-W159 PolarHBondContact O-N 2.97Å; Q155-W159 VanDerWaalsContact O-N 3.07Å; D156-W159 PolarHBondContact O-N 3.46Å; M157-W159 VanDerWaalsContact C-N 3.33Å; M157-W159 PolarHBondContact O-N 2.93Å; W159-L161 VanDerWaalsContact C-N 3.28Å; W159-L161 PolarHBondContact O-N 2.77Å; W159-D162 WeakPolarHBondContact O-CB 3.28Å; W159-D162 PolarHBondContact O-N 2.93Å; W159-L163 PolarHBondContact O-N 3.27Å |
| 160 | Q | 91.5 | Very high | 91.4 | Very high | 27 Ų | 27 | 46.2 Ų | 46.2 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 180 | -70.4 | -70.5 | -6.7 | 0 | 0 | 111.8 | P68 L70 M75 D156 M157 D162 L163 S164 P165 | P68-Q160 PolarHBondContact O-NE2 3.29Å; L70-Q160 HydrophobicContact CB-CG 4.16Å; L70-Q160 HydrophobicContact CD1-CG 4.36Å; M75-Q160 HydrophobicContact CE-CB 3.45Å; M75-Q160 VanDerWaalsContact CE-CB 3.45Å; M75-Q160 HydrophobicContact CE-CG 4.36Å; D156-Q160 WeakPolarHBondContact O-CB 3.26Å; D156-Q160 VanDerWaalsContact O-CG 3.23Å; D156-Q160 WeakPolarHBondContact O-CG 3.39Å; D156-Q160 PolarHBondContact O-N 3.28Å; M157-Q160 PolarHBondContact O-N 2.69Å; Q160-D162 PolarHBondContact O-N 3.21Å; Q160-L163 CarbonylContact O-C 3.45Å; Q160-L163 WeakPolarHBondContact O-CA 3.46Å; Q160-L163 WeakPolarHBondContact O-CB 3.07Å; Q160-L163 PolarHBondContact O-N 3.28Å; Q160-S164 PolarHBondContact O-N 3.18Å; Q160-P165 VanDerWaalsContact O-CD 3.24Å; Q160-P165 WeakPolarHBondContact O-CD 3.41Å |
| 161 | L | 92 | Very high | 91.4 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -25.7 | 173.5 | -73.2 | 169.9 | 0 | 0 | 0 | 113.1 | Q28 T31 K32 I35 L72 L111 M157 L158 W159 L163 P165 | Q28-L161 PolarHBondContact NE2-O 2.99Å; T31-L161 HydrophobicContact CG2-CD1 3.57Å; K32-L161 HydrophobicContact CG-CB 4.45Å; K32-L161 HydrophobicContact CG-CD1 4.35Å; I35-L161 HydrophobicContact CD1-CD1 3.53Å; L72-L161 HydrophobicContact CD2-CD2 4.27Å; L111-L161 HydrophobicContact CD2-CD2 3.63Å; M157-L161 WeakPolarHBondContact O-CB 3.47Å; M157-L161 VanDerWaalsContact O-CG 3.23Å; M157-L161 WeakPolarHBondContact O-CG 3.44Å; M157-L161 PolarHBondContact O-N 2.77Å; L158-L161 PolarHBondContact O-N 3.13Å; W159-L161 VanDerWaalsContact C-N 3.28Å; W159-L161 PolarHBondContact O-N 2.77Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L161-P165 HydrophobicContact CD2-CG 4.35Å |
| 162 | D | 90.1 | Very high | 91.3 | Very high | 93 Ų | 93 | 49.9 Ų | 49.9 | 50% | 0.497 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.8 | -31.4 | 170.5 | -72.2 | -40 | 0 | 0 | 0 | 111.8 | K32 L158 W159 Q160 S164 | K32-D162 VanDerWaalsContact CE-OD1 3.3Å; K32-D162 WeakPolarHBondContact CE-OD1 3.4Å; K32-D162 IonicContact NZ-OD1 3.59Å; K32-D162 PolarHBondContact NZ-OD1 3.28Å; L158-D162 PolarHBondContact O-N 3.36Å; W159-D162 WeakPolarHBondContact O-CB 3.28Å; W159-D162 PolarHBondContact O-N 2.93Å; Q160-D162 PolarHBondContact O-N 3.21Å; D162-S164 VanDerWaalsContact C-N 3.27Å; D162-S164 PolarHBondContact O-N 3.4Å |
| 163 | L | 89.9 | Confident | 91.4 | Very high | 101 Ų | 101 | 52.3 Ų | 52.3 | 53% | 0.529 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -82.4 | -0.3 | 178.8 | -56.9 | -179 | 0 | 0 | 0 | 114 | W159 Q160 L161 | W159-L163 PolarHBondContact O-N 3.27Å; Q160-L163 CarbonylContact O-C 3.45Å; Q160-L163 WeakPolarHBondContact O-CA 3.46Å; Q160-L163 WeakPolarHBondContact O-CB 3.07Å; Q160-L163 PolarHBondContact O-N 3.28Å; L161-L163 VanDerWaalsContact C-N 3.33Å |
| 164 | S | 87.4 | Confident | 91.3 | Very high | 78 Ų | 78 | 55.6 Ų | 55.6 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | trans | 55.6 | 73.2 | -176.5 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | Q160 D162 | Q160-S164 PolarHBondContact O-N 3.18Å; D162-S164 VanDerWaalsContact C-N 3.27Å; D162-S164 PolarHBondContact O-N 3.4Å | ||
| 165 | P | 88.6 | Confident | 91 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 7% | 0.071 | 33% | 0.328 | C | S | . | . | trans | -67.9 | 156.7 | -169.1 | 31.1 | -31.7 | 0 | 0 | 0 | 110.8 | L70 L72 M75 K115 Q160 L161 | L70-P165 WeakPolarHBondContact O-CB 3.38Å; L72-P165 HydrophobicContact CD2-CG 3.89Å; L72-P165 HydrophobicContact CG-CG 4.31Å; M75-P165 HydrophobicContact CE-CB 4.2Å; M75-P165 HydrophobicContact CE-CG 3.87Å; K115-P165 PolarHBondContact NZ-O 3.37Å; Q160-P165 VanDerWaalsContact O-CD 3.24Å; Q160-P165 WeakPolarHBondContact O-CD 3.41Å; L161-P165 HydrophobicContact CD2-CG 4.35Å | ||
| 166 | G | 89.6 | Confident | 90.9 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 46% | 0.464 | 32% | 0.316 | S | S | . | . | trans | -65.1 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T71 L72 | T71-G166 CarbonylContact C-O 3.58Å; T71-G166 WeakPolarHBondContact CA-O 3.43Å; T71-G166 WeakPolarHBondContact CB-O 3.36Å; L72-G166 PolarHBondContact N-O 3.38Å | ||
| 167 | C | 89.6 | Confident | 90.8 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 47% | 0.466 | 32% | 0.322 | S | S | . | . | trans | -93.5 | 0 | 163 | -51.2 | 0 | 0 | 0 | 0 | 106.9 | T71 C117 | T71-C167 WeakPolarHBondContact CB-O 3.24Å; T71-C167 PolarHBondContact OG1-O 3.49Å; C117-C167 HydrophobicContact CB-CB 3.46Å; C117-C167 VanDerWaalsContact CB-CB 3.46Å; C117-C167 WeakPolarHBondContact CB-SG 3.39Å; C117-C167 WeakPolarHBondContact SG-CB 3.45Å; C117-C167 CovalentContact SG-SG 2.02Å; C117-C167 PolarHBondContact SG-SG 3.45Å |
Retrieved 167 of 167 residues in 49.4 ms
(Link to these results)