| 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 | 32 | Very low | 44.1 | Very low | 225 Ų | 225 | 130.4 Ų | 130.4 | 100% | 1.108 | 63% | 0.633 | S | S | * | * | 0 | 72.4 | 0 | -70.6 | 174 | 94.3 | 0 | 0 | 108.6 | |||||
| 2 | K | 37.3 | Very low | 44.6 | Very low | 207 Ų | 207 | 127.8 Ų | 127.8 | 90% | 0.9 | 62% | 0.617 | S | S | * | * | trans | -110.8 | 27.1 | -153.8 | -103.5 | -172.1 | 177.3 | -174.7 | 0 | 113.8 | ||||
| 3 | Q | 33.6 | Very low | 44.3 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 72% | 0.724 | 62% | 0.624 | S | S | * | * | trans | -137 | 6 | -153.4 | -106.8 | 174.5 | -17.4 | 0 | 0 | 122.4 | ||||
| 4 | H | 37.7 | Very low | 44.7 | Very low | 175 Ų | 175 | 129.3 Ų | 129.3 | 81% | 0.81 | 63% | 0.634 | S | S | * | * | trans | -140.6 | 25.7 | -171 | -76.3 | -48.6 | 0 | 0 | 0 | 120.6 | ||||
| 5 | D | 49.2 | Very low | 45.2 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 56% | 0.561 | 65% | 0.646 | S | S | * | * | trans | -103.5 | -7.7 | -165.8 | -73.8 | -25.1 | 0 | 0 | 0 | 119 | R144 | D5-R144 PolarHBondContact O-NH1 2.72Š| ||
| 6 | S | 50.2 | Low | 45.9 | Very low | 31 Ų | 31 | 129.6 Ų | 129.6 | 22% | 0.217 | 63% | 0.628 | C | S | . | * | trans | -113.9 | 132.6 | -178.7 | 169.7 | 0 | 0 | 0 | 0 | 114 | L8 Q9 | S6-L8 PolarHBondContact O-N 3.06Å; S6-L8 PolarHBondContact OG-N 3.17Å; S6-L8 VanDerWaalsContact OG-N 3.15Å; S6-Q9 VanDerWaalsContact O-CB 3.22Å; S6-Q9 WeakPolarHBondContact O-CB 3.49Å; S6-Q9 PolarHBondContact O-N 2.8Å; S6-Q9 PolarHBondContact OG-N 3.33Å | ||
| 7 | I | 49.4 | Very low | 46.4 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 52% | 0.518 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -62.2 | -30.3 | 171.4 | -66.7 | 171 | 0 | 0 | 0 | 110.8 | Q9 E10 R144 | I7-Q9 VanDerWaalsContact C-N 3.31Å; I7-E10 PolarHBondContact O-N 3.48Å; I7-R144 VanDerWaalsContact CD1-NH2 3.28Å |
| 8 | L | 49.4 | Very low | 47.1 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 37% | 0.366 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -77.3 | -21.7 | 178.3 | -74.7 | 162.2 | 0 | 0 | 0 | 112.1 | S6 E10 I11 F12 | S6-L8 PolarHBondContact O-N 3.06Å; S6-L8 PolarHBondContact OG-N 3.17Å; S6-L8 VanDerWaalsContact OG-N 3.15Å; L8-E10 PolarHBondContact O-N 3Å; L8-I11 PolarHBondContact O-N 3.44Å; L8-F12 PolarHBondContact O-N 3.44Å |
| 9 | Q | 47.6 | Very low | 48.1 | Very low | 74 Ų | 74 | 123.7 Ų | 123.7 | 35% | 0.346 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -63.7 | -23 | 173 | -118.7 | 175.7 | -20.8 | 0 | 0 | 112.7 | S6 I7 I11 | S6-Q9 VanDerWaalsContact O-CB 3.22Å; S6-Q9 WeakPolarHBondContact O-CB 3.49Å; S6-Q9 PolarHBondContact O-N 2.8Å; S6-Q9 PolarHBondContact OG-N 3.33Å; I7-Q9 VanDerWaalsContact C-N 3.31Å; Q9-I11 VanDerWaalsContact C-N 3.28Å |
| 10 | E | 47.6 | Very low | 48.9 | Very low | 179 Ų | 179 | 119.8 Ų | 119.8 | 84% | 0.836 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -77.2 | -16.8 | 175.6 | -145.4 | 173 | -157.4 | 0 | 0 | 112.5 | I7 L8 | I7-E10 PolarHBondContact O-N 3.48Å; L8-E10 PolarHBondContact O-N 3Å |
| 11 | I | 51.1 | Low | 49.7 | Very low | 112 Ų | 112 | 116.3 Ų | 116.3 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -25.1 | -176.9 | -52.6 | 179.3 | 0 | 0 | 0 | 111.1 | L8 Q9 | L8-I11 PolarHBondContact O-N 3.44Å; Q9-I11 VanDerWaalsContact C-N 3.28Å |
| 12 | F | 50 | Low | 51.5 | Low | 100 Ų | 100 | 107.5 Ų | 107.5 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -148.6 | 109 | -164.9 | -76 | -60.9 | 0 | 0 | 0 | 112 | L8 Y16 | L8-F12 PolarHBondContact O-N 3.44Å; F12-Y16 HydrophobicContact CB-CD1 4.16Å; F12-Y16 HydrophobicContact CB-CD2 3.84Å; F12-Y16 HydrophobicContact CB-CE1 3.74Å; F12-Y16 HydrophobicContact CB-CE2 3.47Å; F12-Y16 VanDerWaalsContact CB-CE2 3.47Å; F12-Y16 HydrophobicContact CB-CG 4.21Å; F12-Y16 HydrophobicContact CD1-CE1 4.31Å; F12-Y16 AromaticContact CD1-CZ 3.85Å; F12-Y16 VanDerWaalsContact CD1-OH 3.24Å; F12-Y16 WeakPolarHBondContact CD1-OH 3.2Å; F12-Y16 AromaticContact CG-CE1 3.98Å; F12-Y16 HydrophobicContact CG-CE1 3.98Å; F12-Y16 HydrophobicContact CG-CE2 4.35Å; F12-Y16 AromaticContact CG-CZ 3.79Å; F12-Y16 VanDerWaalsContact O-CD2 3.32Å; F12-Y16 WeakPolarHBondContact O-CD2 3.29Å |
| 13 | N | 40.5 | Very low | 53.2 | Low | 134 Ų | 134 | 99.1 Ų | 99.1 | 72% | 0.717 | 50% | 0.501 | S | S | * | . | trans | -73.6 | 132.7 | -174.4 | -95.2 | -12.9 | 0 | 0 | 0 | 114.4 | E15 Y16 | N13-E15 PolarHBondContact O-N 3.11Å; N13-Y16 WeakPolarHBondContact O-CE2 3.33Å | ||
| 14 | D | 49.9 | Very low | 55.1 | Low | 142 Ų | 142 | 92.6 Ų | 92.6 | 76% | 0.759 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 57.7 | -15.7 | 152.6 | -67.6 | -19 | 0 | 0 | 0 | 123.5 | ||
| 15 | E | 52 | Low | 56.8 | Low | 173 Ų | 173 | 84.4 Ų | 84.4 | 81% | 0.808 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -99.2 | 0.7 | 176.7 | -75.6 | -172.8 | 163.6 | 0 | 0 | 115.4 | N13 | N13-E15 PolarHBondContact O-N 3.11Š|
| 16 | Y | 56.5 | Low | 58.4 | Low | 91 Ų | 91 | 84.6 Ų | 84.6 | 36% | 0.357 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -87.4 | -23.6 | -158.6 | -69.3 | -91.9 | 0 | 0 | 0 | 116.1 | F12 N13 C18 L19 E20 | F12-Y16 HydrophobicContact CB-CD1 4.16Å; F12-Y16 HydrophobicContact CB-CD2 3.84Å; F12-Y16 HydrophobicContact CB-CE1 3.74Å; F12-Y16 HydrophobicContact CB-CE2 3.47Å; F12-Y16 VanDerWaalsContact CB-CE2 3.47Å; F12-Y16 HydrophobicContact CB-CG 4.21Å; F12-Y16 HydrophobicContact CD1-CE1 4.31Å; F12-Y16 AromaticContact CD1-CZ 3.85Å; F12-Y16 VanDerWaalsContact CD1-OH 3.24Å; F12-Y16 WeakPolarHBondContact CD1-OH 3.2Å; F12-Y16 AromaticContact CG-CE1 3.98Å; F12-Y16 HydrophobicContact CG-CE1 3.98Å; F12-Y16 HydrophobicContact CG-CE2 4.35Å; F12-Y16 AromaticContact CG-CZ 3.79Å; F12-Y16 VanDerWaalsContact O-CD2 3.32Å; F12-Y16 WeakPolarHBondContact O-CD2 3.29Å; N13-Y16 WeakPolarHBondContact O-CE2 3.33Å; Y16-C18 VanDerWaalsContact C-N 3.31Å; Y16-C18 PolarHBondContact O-N 2.88Å; Y16-L19 PolarHBondContact O-N 3.37Å; Y16-L19 VanDerWaalsContact O-N 3.15Å; Y16-E20 WeakPolarHBondContact O-CB 3.43Å; Y16-E20 PolarHBondContact O-N 3.07Å |
| 17 | L | 55.4 | Low | 60 | Low | 98 Ų | 98 | 87 Ų | 87 | 51% | 0.513 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | -170.5 | -145.7 | 92.6 | 0 | 0 | 0 | 112.4 | H21 | L17-H21 PolarHBondContact O-CD2 3.39Å; L17-H21 PolarHBondContact O-N 3.17Å |
| 18 | C | 59.2 | Low | 61.7 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 47% | 0.473 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.1 | -41.4 | 178.6 | -173 | 0 | 0 | 0 | 0 | 111.9 | Y16 E20 T22 I91 | Y16-C18 VanDerWaalsContact C-N 3.31Å; Y16-C18 PolarHBondContact O-N 2.88Å; C18-E20 VanDerWaalsContact C-N 3.34Å; C18-T22 WeakPolarHBondContact O-CB 3.39Å; C18-T22 PolarHBondContact O-N 3.16Å; C18-T22 PolarHBondContact O-OG1 3.45Å; C18-I91 WeakPolarHBondContact SG-CD1 3.11Å |
| 19 | L | 65 | Low | 63.4 | Low | 109 Ų | 109 | 80.2 Ų | 80.2 | 57% | 0.571 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.1 | -37.5 | 178.1 | -167.9 | 82.8 | 0 | 0 | 0 | 110.9 | Y16 T22 A23 | Y16-L19 PolarHBondContact O-N 3.37Å; Y16-L19 VanDerWaalsContact O-N 3.15Å; L19-T22 WeakPolarHBondContact CA-OG1 3.48Å; L19-T22 PolarHBondContact O-OG1 3.42Å; L19-A23 WeakPolarHBondContact O-CB 3.34Å; L19-A23 PolarHBondContact O-N 3.29Å |
| 20 | E | 64.1 | Low | 65.2 | Low | 45 Ų | 45 | 80.7 Ų | 80.7 | 21% | 0.21 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.5 | -56.4 | 176.8 | -170.6 | 170.2 | -175 | 0 | 0 | 110.3 | Y16 C18 T22 L24 | Y16-E20 WeakPolarHBondContact O-CB 3.43Å; Y16-E20 PolarHBondContact O-N 3.07Å; C18-E20 VanDerWaalsContact C-N 3.34Å; E20-T22 VanDerWaalsContact C-N 3.33Å; E20-T22 PolarHBondContact O-N 3.49Å; E20-L24 HydrophobicContact CG-CD1 3.57Å; E20-L24 HydrophobicContact CG-CG 4.27Å; E20-L24 WeakPolarHBondContact O-CB 3.39Å; E20-L24 WeakPolarHBondContact O-CD1 3.42Å; E20-L24 WeakPolarHBondContact O-CG 3.35Å; E20-L24 PolarHBondContact O-N 3.16Å |
| 21 | H | 65.1 | Low | 67.1 | Low | 46 Ų | 46 | 75.5 Ų | 75.5 | 21% | 0.213 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.8 | -32.9 | -179.6 | -71.8 | -67.8 | 0 | 0 | 0 | 113.9 | L17 S25 D92 | L17-H21 PolarHBondContact O-CD2 3.39Å; L17-H21 PolarHBondContact O-N 3.17Å; H21-S25 PolarHBondContact O-OG 3.37Å; H21-D92 IonicContact CD2-OD1 3.92Å; H21-D92 PolarHBondContact CD2-OD1 2.9Å; H21-D92 IonicContact CE1-OD1 2.71Å; H21-D92 IonicContact CG-OD1 2.75Å; H21-D92 VanDerWaalsContact CG-OD1 3.22Å; H21-D92 IonicContact ND1-OD1 3.18Å; H21-D92 IonicContact NE2-OD1 3.35Å |
| 22 | T | 70 | Confident | 68.6 | Low | 40 Ų | 40 | 70.2 Ų | 70.2 | 25% | 0.245 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -76.5 | -51.3 | 175.1 | 40.7 | 0 | 0 | 0 | 0 | 112.9 | C18 L19 E20 L24 S25 W26 I91 | C18-T22 WeakPolarHBondContact O-CB 3.39Å; C18-T22 PolarHBondContact O-N 3.16Å; C18-T22 PolarHBondContact O-OG1 3.45Å; L19-T22 WeakPolarHBondContact CA-OG1 3.48Å; L19-T22 PolarHBondContact O-OG1 3.42Å; E20-T22 VanDerWaalsContact C-N 3.33Å; E20-T22 PolarHBondContact O-N 3.49Å; T22-L24 VanDerWaalsContact C-N 3.34Å; T22-L24 PolarHBondContact O-N 3.04Å; T22-S25 PolarHBondContact O-N 3.41Å; T22-S25 PolarHBondContact O-OG 3.43Å; T22-W26 WeakPolarHBondContact O-CB 3.35Å; T22-W26 PolarHBondContact O-N 3.41Å; T22-I91 HydrophobicContact CG2-CG2 3.76Å |
| 23 | A | 73.3 | Confident | 70.2 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 26% | 0.256 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L19 S25 I27 | L19-A23 WeakPolarHBondContact O-CB 3.34Å; L19-A23 PolarHBondContact O-N 3.29Å; A23-S25 PolarHBondContact O-N 3.44Å; A23-I27 HydrophobicContact CB-CD1 4.09Å; A23-I27 WeakPolarHBondContact O-CB 3.49Å; A23-I27 WeakPolarHBondContact O-CD1 3.45Å; A23-I27 VanDerWaalsContact O-CG1 3.31Å; A23-I27 WeakPolarHBondContact O-CG1 3.27Å; A23-I27 PolarHBondContact O-N 3.03Å |
| 24 | L | 73.9 | Confident | 72.3 | Confident | 18 Ų | 18 | 67.7 Ų | 67.7 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | -178.7 | -70.2 | 178 | 0 | 0 | 0 | 113.1 | E20 T22 P28 F134 L137 | E20-L24 HydrophobicContact CG-CD1 3.57Å; E20-L24 HydrophobicContact CG-CG 4.27Å; E20-L24 WeakPolarHBondContact O-CB 3.39Å; E20-L24 WeakPolarHBondContact O-CD1 3.42Å; E20-L24 WeakPolarHBondContact O-CG 3.35Å; E20-L24 PolarHBondContact O-N 3.16Å; T22-L24 VanDerWaalsContact C-N 3.34Å; T22-L24 PolarHBondContact O-N 3.04Å; L24-P28 WeakPolarHBondContact O-CD 3.41Å; L24-P28 WeakPolarHBondContact O-CG 3.43Å; L24-F134 HydrophobicContact CD2-CB 4.07Å; L24-F134 HydrophobicContact CD2-CD1 3.8Å; L24-F134 HydrophobicContact CD2-CG 4.43Å; L24-F134 VanDerWaalsContact CD2-O 3.24Å; L24-F134 WeakPolarHBondContact CD2-O 3.09Å; L24-L137 HydrophobicContact CD1-CB 4.36Å; L24-L137 HydrophobicContact CD2-CB 4.45Å; L24-L137 HydrophobicContact CD2-CD1 3.7Å |
| 25 | S | 74.6 | Confident | 73.9 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.028 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -92.1 | -37.7 | -177.9 | 56.4 | 0 | 0 | 0 | 0 | 113 | H21 T22 A23 F29 A95 | H21-S25 PolarHBondContact O-OG 3.37Å; T22-S25 PolarHBondContact O-N 3.41Å; T22-S25 PolarHBondContact O-OG 3.43Å; A23-S25 PolarHBondContact O-N 3.44Å; S25-F29 WeakPolarHBondContact O-CB 3.32Å; S25-F29 PolarHBondContact O-N 2.88Å; S25-A95 WeakPolarHBondContact OG-CB 3.42Å |
| 26 | W | 81.4 | Confident | 75.1 | Confident | 109 Ų | 109 | 53.6 Ų | 53.6 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -76.5 | -38.2 | -173.9 | -73.5 | 61.7 | 0 | 0 | 0 | 113.4 | T22 F29 I30 L94 L98 | T22-W26 WeakPolarHBondContact O-CB 3.35Å; T22-W26 PolarHBondContact O-N 3.41Å; W26-F29 PolarHBondContact O-N 3.29Å; W26-I30 HydrophobicContact CE3-CD1 4.49Å; W26-I30 WeakPolarHBondContact O-CB 3.45Å; W26-I30 VanDerWaalsContact O-CG1 3.27Å; W26-I30 WeakPolarHBondContact O-CG1 3.4Å; W26-I30 PolarHBondContact O-N 2.74Å; W26-L94 HydrophobicContact CH2-CD2 4.48Å; W26-L94 HydrophobicContact CZ2-CD2 3.46Å; W26-L94 VanDerWaalsContact CZ2-CD2 3.46Å; W26-L98 HydrophobicContact CD2-CD1 4.3Å; W26-L98 HydrophobicContact CG-CD1 4.47Å; W26-L98 HydrophobicContact CZ2-CD1 4.25Å |
| 27 | I | 84.5 | Confident | 76.3 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 42% | 0.415 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.5 | -51.3 | -177 | -64.8 | 169.6 | 0 | 0 | 0 | 111.5 | A23 F29 I30 F31 F134 | A23-I27 HydrophobicContact CB-CD1 4.09Å; A23-I27 WeakPolarHBondContact O-CB 3.49Å; A23-I27 WeakPolarHBondContact O-CD1 3.45Å; A23-I27 VanDerWaalsContact O-CG1 3.31Å; A23-I27 WeakPolarHBondContact O-CG1 3.27Å; A23-I27 PolarHBondContact O-N 3.03Å; I27-F29 VanDerWaalsContact C-N 3.26Å; I27-F29 PolarHBondContact O-N 3.26Å; I27-I30 PolarHBondContact O-N 3.41Å; I27-F31 PolarHBondContact O-N 2.96Å; I27-F31 VanDerWaalsContact O-N 3.12Å; I27-F134 HydrophobicContact CB-CE1 4.32Å; I27-F134 HydrophobicContact CB-CZ 4.26Å; I27-F134 HydrophobicContact CD1-CE1 3.9Å; I27-F134 HydrophobicContact CD1-CZ 4.2Å; I27-F134 HydrophobicContact CG2-CE1 4.34Å; I27-F134 HydrophobicContact CG2-CE2 4.13Å; I27-F134 HydrophobicContact CG2-CZ 3.79Å |
| 28 | P | 84.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.9 | -33.8 | 176.4 | -23.5 | 35.6 | 0 | 0 | 0 | 113.1 | L24 S32 L130 Y131 F134 | L24-P28 WeakPolarHBondContact O-CD 3.41Å; L24-P28 WeakPolarHBondContact O-CG 3.43Å; P28-S32 WeakPolarHBondContact O-CB 3.46Å; P28-S32 PolarHBondContact O-N 2.94Å; P28-S32 PolarHBondContact O-OG 3.27Å; P28-L130 HydrophobicContact CB-CB 4.31Å; P28-Y131 HydrophobicContact CB-CD1 3.75Å; P28-Y131 HydrophobicContact CB-CD2 3.86Å; P28-Y131 HydrophobicContact CB-CE1 3.64Å; P28-Y131 HydrophobicContact CB-CE2 3.76Å; P28-Y131 HydrophobicContact CB-CG 3.83Å; P28-Y131 HydrophobicContact CG-CD1 4.39Å; P28-Y131 HydrophobicContact CG-CE1 4.45Å; P28-F134 HydrophobicContact CG-CB 3.83Å; P28-F134 HydrophobicContact CG-CD2 3.83Å; P28-F134 HydrophobicContact CG-CG 3.86Å |
| 29 | F | 85.7 | Confident | 78.6 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.1 | -50.4 | 178.6 | -178.7 | -108.9 | 0 | 0 | 0 | 112.5 | S25 W26 I27 F31 S32 I33 L98 L101 A102 Y131 | S25-F29 WeakPolarHBondContact O-CB 3.32Å; S25-F29 PolarHBondContact O-N 2.88Å; W26-F29 PolarHBondContact O-N 3.29Å; I27-F29 VanDerWaalsContact C-N 3.26Å; I27-F29 PolarHBondContact O-N 3.26Å; F29-F31 VanDerWaalsContact C-N 3.3Å; F29-F31 PolarHBondContact O-N 3.17Å; F29-S32 PolarHBondContact O-N 3.44Å; F29-S32 VanDerWaalsContact O-N 3.16Å; F29-I33 HydrophobicContact CD1-CD1 3.96Å; F29-I33 HydrophobicContact CD2-CD1 4.49Å; F29-I33 HydrophobicContact CE1-CD1 3.33Å; F29-I33 HydrophobicContact CE1-CG1 4.44Å; F29-I33 HydrophobicContact CE2-CD1 3.96Å; F29-I33 HydrophobicContact CE2-CG1 4.43Å; F29-I33 HydrophobicContact CZ-CD1 3.35Å; F29-I33 HydrophobicContact CZ-CG1 4.28Å; F29-I33 PolarHBondContact O-N 2.86Å; F29-L98 HydrophobicContact CD1-CD2 3.93Å; F29-L98 HydrophobicContact CE1-CD2 3.55Å; F29-L98 HydrophobicContact CE2-CD2 4.2Å; F29-L98 HydrophobicContact CG-CD2 4.39Å; F29-L98 HydrophobicContact CZ-CD2 3.67Å; F29-L101 HydrophobicContact CE2-CD2 3.92Å; F29-L101 HydrophobicContact CZ-CD2 3.77Å; F29-A102 HydrophobicContact CD2-CB 3.85Å; F29-A102 HydrophobicContact CE2-CB 4.34Å; F29-Y131 WeakPolarHBondContact CA-OH 3.39Å; F29-Y131 WeakPolarHBondContact CB-OH 3.48Å; F29-Y131 PolarHBondContact N-OH 3.44Å |
| 30 | I | 85.7 | Confident | 79.3 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 44% | 0.436 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 177.7 | -69 | 167.1 | 0 | 0 | 0 | 110.2 | W26 I27 S32 I33 L34 | W26-I30 HydrophobicContact CE3-CD1 4.49Å; W26-I30 WeakPolarHBondContact O-CB 3.45Å; W26-I30 VanDerWaalsContact O-CG1 3.27Å; W26-I30 WeakPolarHBondContact O-CG1 3.4Å; W26-I30 PolarHBondContact O-N 2.74Å; I27-I30 PolarHBondContact O-N 3.41Å; I30-S32 VanDerWaalsContact C-N 3.35Å; I30-S32 PolarHBondContact O-N 3.42Å; I30-I33 PolarHBondContact O-N 3.47Å; I30-L34 HydrophobicContact CG2-CD1 3.88Å; I30-L34 HydrophobicContact CG2-CG 4.49Å; I30-L34 WeakPolarHBondContact O-CG 3.31Å; I30-L34 PolarHBondContact O-N 3.27Å |
| 31 | F | 87.2 | Confident | 80.2 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 31% | 0.307 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.6 | -178.4 | -90.7 | 0 | 0 | 0 | 112 | I27 F29 I33 L34 S35 L126 L130 | I27-F31 PolarHBondContact O-N 2.96Å; I27-F31 VanDerWaalsContact O-N 3.12Å; F29-F31 VanDerWaalsContact C-N 3.3Å; F29-F31 PolarHBondContact O-N 3.17Å; F31-I33 VanDerWaalsContact C-N 3.34Å; F31-I33 PolarHBondContact O-N 2.89Å; F31-L34 PolarHBondContact O-N 3.39Å; F31-S35 VanDerWaalsContact O-CB 3.3Å; F31-S35 WeakPolarHBondContact O-CB 3.37Å; F31-S35 PolarHBondContact O-N 3.4Å; F31-S35 PolarHBondContact O-OG 2.97Å; F31-L126 HydrophobicContact CE1-CB 3.74Å; F31-L126 HydrophobicContact CZ-CB 3.83Å; F31-L126 HydrophobicContact CZ-CD1 4.27Å; F31-L130 HydrophobicContact CB-CD1 3.84Å; F31-L130 HydrophobicContact CD1-CD1 3.24Å; F31-L130 HydrophobicContact CD2-CD1 3.82Å; F31-L130 HydrophobicContact CE1-CD1 3.64Å; F31-L130 HydrophobicContact CE2-CD1 4.17Å; F31-L130 HydrophobicContact CG-CD1 3.33Å; F31-L130 HydrophobicContact CZ-CD1 4.09Å |
| 32 | S | 83 | Confident | 80.9 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -36.1 | -179.4 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | P28 F29 I30 S35 S36 S127 Y131 | P28-S32 WeakPolarHBondContact O-CB 3.46Å; P28-S32 PolarHBondContact O-N 2.94Å; P28-S32 PolarHBondContact O-OG 3.27Å; F29-S32 PolarHBondContact O-N 3.44Å; F29-S32 VanDerWaalsContact O-N 3.16Å; I30-S32 VanDerWaalsContact C-N 3.35Å; I30-S32 PolarHBondContact O-N 3.42Å; S32-S35 PolarHBondContact O-OG 3.13Å; S32-S36 WeakPolarHBondContact O-CB 3.34Å; S32-S36 PolarHBondContact O-N 3.01Å; S32-S36 PolarHBondContact O-OG 2.98Å; S32-S127 WeakPolarHBondContact CA-OG 3.4Å; S32-S127 WeakPolarHBondContact OG-CB 3.32Å; S32-S127 PolarHBondContact OG-OG 3.35Å; S32-Y131 WeakPolarHBondContact OG-CE2 3.35Å |
| 33 | I | 83.4 | Confident | 81.1 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66 | -50.3 | 172.4 | -71.2 | 178.1 | 0 | 0 | 0 | 110.9 | F29 I30 F31 S35 S36 L37 | F29-I33 HydrophobicContact CD1-CD1 3.96Å; F29-I33 HydrophobicContact CD2-CD1 4.49Å; F29-I33 HydrophobicContact CE1-CD1 3.33Å; F29-I33 HydrophobicContact CE1-CG1 4.44Å; F29-I33 HydrophobicContact CE2-CD1 3.96Å; F29-I33 HydrophobicContact CE2-CG1 4.43Å; F29-I33 HydrophobicContact CZ-CD1 3.35Å; F29-I33 HydrophobicContact CZ-CG1 4.28Å; F29-I33 PolarHBondContact O-N 2.86Å; I30-I33 PolarHBondContact O-N 3.47Å; F31-I33 VanDerWaalsContact C-N 3.34Å; F31-I33 PolarHBondContact O-N 2.89Å; I33-S35 PolarHBondContact O-N 2.9Å; I33-S36 PolarHBondContact O-N 3.22Å; I33-S36 PolarHBondContact O-OG 2.97Å; I33-L37 PolarHBondContact O-N 2.89Å |
| 34 | L | 85.2 | Confident | 81.3 | Confident | 115 Ų | 115 | 60.4 Ų | 60.4 | 60% | 0.602 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | -177.8 | -70.6 | 170.8 | 0 | 0 | 0 | 112 | I30 F31 S36 | I30-L34 HydrophobicContact CG2-CD1 3.88Å; I30-L34 HydrophobicContact CG2-CG 4.49Å; I30-L34 WeakPolarHBondContact O-CG 3.31Å; I30-L34 PolarHBondContact O-N 3.27Å; F31-L34 PolarHBondContact O-N 3.39Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 2.92Å |
| 35 | S | 82 | Confident | 81.3 | Confident | 17 Ų | 17 | 67 Ų | 67 | 12% | 0.119 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.2 | -33.1 | 179.1 | 80.5 | 0 | 0 | 0 | 0 | 112.3 | F31 S32 I33 F38 L39 S127 | F31-S35 VanDerWaalsContact O-CB 3.3Å; F31-S35 WeakPolarHBondContact O-CB 3.37Å; F31-S35 PolarHBondContact O-N 3.4Å; F31-S35 PolarHBondContact O-OG 2.97Å; S32-S35 PolarHBondContact O-OG 3.13Å; I33-S35 PolarHBondContact O-N 2.9Å; S35-F38 PolarHBondContact O-N 2.68Å; S35-L39 PolarHBondContact O-N 2.79Å; S35-S127 PolarHBondContact OG-OG 2.81Å |
| 36 | S | 78.3 | Confident | 80.7 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.4 | -34.5 | 179 | 74.2 | 0 | 0 | 0 | 0 | 114.4 | S32 I33 L34 F38 L39 C40 F105 L109 | S32-S36 WeakPolarHBondContact O-CB 3.34Å; S32-S36 PolarHBondContact O-N 3.01Å; S32-S36 PolarHBondContact O-OG 2.98Å; I33-S36 PolarHBondContact O-N 3.22Å; I33-S36 PolarHBondContact O-OG 2.97Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 2.92Å; S36-F38 PolarHBondContact O-N 2.98Å; S36-L39 WeakPolarHBondContact O-CB 3.41Å; S36-L39 PolarHBondContact O-N 2.69Å; S36-L39 VanDerWaalsContact O-N 3.16Å; S36-C40 WeakPolarHBondContact O-CB 3.44Å; S36-C40 PolarHBondContact O-N 3.35Å; S36-F105 WeakPolarHBondContact OG-CE1 3.3Å; S36-F105 WeakPolarHBondContact OG-CZ 3.14Å; S36-L109 VanDerWaalsContact CB-CD1 3.41Å |
| 37 | L | 81.8 | Confident | 79.6 | Confident | 115 Ų | 115 | 75.5 Ų | 75.5 | 60% | 0.602 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61 | -38.1 | 179.4 | -73 | 169.2 | 0 | 0 | 0 | 110 | I33 R41 | I33-L37 PolarHBondContact O-N 2.89Å; L37-R41 WeakPolarHBondContact O-CB 3.36Å; L37-R41 PolarHBondContact O-N 3.27Å; L37-R41 VanDerWaalsContact O-N 3.15Å |
| 38 | F | 82.1 | Confident | 78.3 | Confident | 146 Ų | 146 | 78 Ų | 78 | 64% | 0.64 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.8 | -47.6 | 174.1 | -170.4 | -92.7 | 0 | 0 | 0 | 112.1 | S35 S36 R41 E42 | S35-F38 PolarHBondContact O-N 2.68Å; S36-F38 PolarHBondContact O-N 2.98Å; F38-R41 PolarHBondContact O-N 2.75Å; F38-E42 PolarHBondContact O-N 3.21Å |
| 39 | L | 79.5 | Confident | 77 | Confident | 2 Ų | 2 | 84.1 Ų | 84.1 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 177 | -93.1 | 161.3 | 0 | 0 | 0 | 113.2 | S35 S36 R41 E42 A43 L109 S121 S123 L124 | S35-L39 PolarHBondContact O-N 2.79Å; S36-L39 WeakPolarHBondContact O-CB 3.41Å; S36-L39 PolarHBondContact O-N 2.69Å; S36-L39 VanDerWaalsContact O-N 3.16Å; L39-R41 VanDerWaalsContact C-N 3.3Å; L39-R41 PolarHBondContact O-N 3.3Å; L39-E42 PolarHBondContact O-N 3.12Å; L39-A43 VanDerWaalsContact O-CB 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.24Å; L39-A43 PolarHBondContact O-N 3.49Å; L39-L109 HydrophobicContact CB-CD2 4.37Å; L39-S121 WeakPolarHBondContact CD2-OG 3.1Å; L39-S123 WeakPolarHBondContact CD1-OG 3.4Å; L39-S123 VanDerWaalsContact CG-OG 3.3Å; L39-S123 WeakPolarHBondContact CG-OG 3.35Å; L39-L124 HydrophobicContact CD1-CD2 4.46Å; L39-L124 HydrophobicContact CD1-CG 4.06Å |
| 40 | C | 80.1 | Confident | 76 | Confident | 39 Ų | 39 | 85.9 Ų | 85.9 | 26% | 0.264 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 176.7 | -82.8 | 0 | 0 | 0 | 0 | 110.9 | S36 A43 M44 L109 | S36-C40 WeakPolarHBondContact O-CB 3.44Å; S36-C40 PolarHBondContact O-N 3.35Å; C40-A43 PolarHBondContact O-N 3.11Å; C40-M44 WeakPolarHBondContact O-CB 3.28Å; C40-M44 VanDerWaalsContact O-CG 3.31Å; C40-M44 WeakPolarHBondContact O-CG 3.45Å; C40-M44 PolarHBondContact O-N 3.06Å; C40-L109 VanDerWaalsContact SG-CD2 3.53Å |
| 41 | R | 82.4 | Confident | 75.1 | Confident | 163 Ų | 163 | 82.3 Ų | 82.3 | 62% | 0.615 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | 176.1 | -168.7 | 177.2 | -175.5 | -177.9 | -0.4 | 112 | L37 F38 L39 K45 | L37-R41 WeakPolarHBondContact O-CB 3.36Å; L37-R41 PolarHBondContact O-N 3.27Å; L37-R41 VanDerWaalsContact O-N 3.15Å; F38-R41 PolarHBondContact O-N 2.75Å; L39-R41 VanDerWaalsContact C-N 3.3Å; L39-R41 PolarHBondContact O-N 3.3Å; R41-K45 PolarHBondContact O-N 3.44Å |
| 42 | E | 79.7 | Confident | 73.8 | Confident | 61 Ų | 61 | 81.6 Ų | 81.6 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.6 | -41.9 | 176.5 | -162.5 | -179.7 | 173.2 | 0 | 0 | 112.1 | F38 L39 M44 K45 R46 I118 | F38-E42 PolarHBondContact O-N 3.21Å; L39-E42 PolarHBondContact O-N 3.12Å; E42-M44 VanDerWaalsContact C-N 3.32Å; E42-M44 PolarHBondContact O-N 2.95Å; E42-K45 PolarHBondContact O-N 2.95Å; E42-R46 PolarHBondContact O-N 2.82Å; E42-R46 IonicContact OE1-CZ 3.13Å; E42-R46 VanDerWaalsContact OE1-CZ 3.27Å; E42-R46 IonicContact OE1-NE 3.85Å; E42-R46 PolarHBondContact OE1-NE 3.35Å; E42-R46 VanDerWaalsContact OE1-NE 3.11Å; E42-R46 IonicContact OE1-NH2 3.57Å; E42-R46 PolarHBondContact OE1-NH2 3.41Å; E42-I118 HydrophobicContact CB-CD1 4.45Å; E42-I118 HydrophobicContact CG-CD1 4.43Å |
| 43 | A | 75.2 | Confident | 72.6 | Confident | 8 Ų | 8 | 84 Ų | 84 | 7% | 0.066 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L39 C40 R116 I118 | L39-A43 VanDerWaalsContact O-CB 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.24Å; L39-A43 PolarHBondContact O-N 3.49Å; C40-A43 PolarHBondContact O-N 3.11Å; A43-R116 HydrophobicContact CB-CB 4.4Å; A43-R116 HydrophobicContact CB-CG 4.22Å; A43-R116 WeakPolarHBondContact O-CD 3.43Å; A43-R116 WeakPolarHBondContact O-CG 3.17Å; A43-I118 HydrophobicContact CB-CD1 3.89Å |
| 44 | M | 76.6 | Confident | 72 | Confident | 138 Ų | 138 | 82.8 Ų | 82.8 | 68% | 0.68 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.6 | -38.8 | 175 | -76 | -167.8 | -71.9 | 0 | 0 | 112.7 | C40 E42 | C40-M44 WeakPolarHBondContact O-CB 3.28Å; C40-M44 VanDerWaalsContact O-CG 3.31Å; C40-M44 WeakPolarHBondContact O-CG 3.45Å; C40-M44 PolarHBondContact O-N 3.06Å; E42-M44 VanDerWaalsContact C-N 3.32Å; E42-M44 PolarHBondContact O-N 2.95Å |
| 45 | K | 74.4 | Confident | 71.3 | Confident | 158 Ų | 158 | 82.4 Ų | 82.4 | 69% | 0.687 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -71.2 | -35.5 | 179.2 | -75.3 | -176.9 | 177.3 | -175.5 | 0 | 113 | R41 E42 K47 | R41-K45 PolarHBondContact O-N 3.44Å; E42-K45 PolarHBondContact O-N 2.95Å; K45-K47 PolarHBondContact O-N 3.21Å |
| 46 | R | 63.2 | Low | 71.1 | Confident | 89 Ų | 89 | 83.5 Ų | 83.5 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | trans | -78.1 | 119.3 | -179.7 | -70.3 | -172.9 | -176.2 | -146.6 | 3.8 | 111.5 | E42 K48 R116 | E42-R46 PolarHBondContact O-N 2.82Å; E42-R46 IonicContact OE1-CZ 3.13Å; E42-R46 VanDerWaalsContact OE1-CZ 3.27Å; E42-R46 IonicContact OE1-NE 3.85Å; E42-R46 PolarHBondContact OE1-NE 3.35Å; E42-R46 VanDerWaalsContact OE1-NE 3.11Å; E42-R46 IonicContact OE1-NH2 3.57Å; E42-R46 PolarHBondContact OE1-NH2 3.41Å; R46-K48 VanDerWaalsContact C-N 3.32Å; R46-R116 WeakPolarHBondContact O-CD 3.36Å; R46-R116 PolarHBondContact O-NH1 2.84Å | ||
| 47 | K | 58 | Low | 71.1 | Confident | 201 Ų | 201 | 83.8 Ų | 83.8 | 87% | 0.874 | 42% | 0.415 | S | S | * | . | trans | -96.8 | 37.4 | 162.9 | -74.9 | -177.3 | 177.8 | 173.6 | 0 | 111.3 | K45 | K45-K47 PolarHBondContact O-N 3.21Š| ||
| 48 | K | 56.8 | Low | 70.7 | Confident | 134 Ų | 134 | 81.8 Ų | 81.8 | 58% | 0.583 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -84.3 | 155.6 | 177.2 | -78.6 | -173.3 | 176.6 | 178.7 | 0 | 110.9 | R46 | R46-K48 VanDerWaalsContact C-N 3.32Š|
| 49 | N | 56.7 | Low | 70.6 | Confident | 129 Ų | 129 | 76.7 Ų | 76.7 | 69% | 0.69 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 149.4 | 179.4 | -65.6 | -29.7 | 0 | 0 | 0 | 110.9 | G117 | N49-G117 WeakPolarHBondContact O-CA 3.36Å; N49-G117 PolarHBondContact O-N 2.91Å |
| 50 | P | 64.6 | Low | 70.7 | Confident | 64 Ų | 64 | 77.2 Ų | 77.2 | 42% | 0.416 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 151.8 | 172.2 | 25.1 | -34.6 | 0 | 0 | 0 | 111.3 | S114 R115 | P50-S114 VanDerWaalsContact CA-O 3.31Å; P50-S114 WeakPolarHBondContact CA-O 3.34Å; P50-R115 WeakPolarHBondContact CA-O 3.34Å |
| 51 | L | 65.9 | Low | 70.9 | Confident | 11 Ų | 11 | 77.4 Ų | 77.4 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 142.5 | 172.8 | -85.6 | 160.9 | 0 | 0 | 0 | 110.6 | L57 S114 I118 I119 D176 | L51-L57 HydrophobicContact CB-CD2 4.06Å; L51-S114 PolarHBondContact N-O 3.01Å; L51-I118 VanDerWaalsContact CD1-O 3.3Å; L51-I118 WeakPolarHBondContact CD1-O 3.42Å; L51-I119 HydrophobicContact CD2-CG1 3.83Å; L51-D176 HydrophobicContact CD2-CB 4.18Å |
| 52 | P | 60.7 | Low | 70.8 | Confident | 55 Ų | 55 | 72 Ų | 72 | 36% | 0.357 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -62 | 141.4 | 171.5 | 26.6 | -32.2 | 0 | 0 | 0 | 110 | T54 | P52-T54 VanDerWaalsContact C-N 3.34Å; P52-T54 PolarHBondContact O-N 3.07Å |
| 53 | T | 58.1 | Low | 71.1 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 31% | 0.307 | 37% | 0.37 | S | S | . | . | trans | -71.8 | 89.2 | 176.3 | 50.1 | 0 | 0 | 0 | 0 | 109.8 | L211 | T53-L211 HydrophobicContact CG2-CD2 3.6Å; T53-L211 HydrophobicContact CG2-CG 4.22Å | ||
| 54 | T | 71.1 | Confident | 71.5 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 25% | 0.252 | 37% | 0.369 | S | S | . | . | trans | -77.6 | 155.2 | 164.6 | 54.8 | 0 | 0 | 0 | 0 | 109.1 | P52 L56 L57 L58 | P52-T54 VanDerWaalsContact C-N 3.34Å; P52-T54 PolarHBondContact O-N 3.07Å; T54-L56 PolarHBondContact O-N 3.01Å; T54-L57 PolarHBondContact O-N 2.96Å; T54-L57 VanDerWaalsContact O-N 3.14Å; T54-L57 WeakPolarHBondContact OG1-CB 3.21Å; T54-L57 PolarHBondContact OG1-N 2.83Å; T54-L58 PolarHBondContact O-N 2.9Å; T54-L58 VanDerWaalsContact O-N 3.15Å | ||
| 55 | S | 69.3 | Low | 71.7 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 75% | 0.748 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -54.5 | -34 | 172 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | L58 S59 | S55-L58 PolarHBondContact O-N 3.08Å; S55-S59 PolarHBondContact O-N 2.89Å; S55-S59 PolarHBondContact O-OG 3.06Å |
| 56 | L | 79 | Confident | 72.2 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 175.9 | -168.2 | 78.5 | 0 | 0 | 0 | 113.3 | T54 L58 S59 R60 I171 W174 | T54-L56 PolarHBondContact O-N 3.01Å; L56-L58 VanDerWaalsContact C-N 3.27Å; L56-L58 PolarHBondContact O-N 2.76Å; L56-S59 WeakPolarHBondContact CA-OG 3.33Å; L56-S59 PolarHBondContact O-N 3.29Å; L56-S59 PolarHBondContact O-OG 2.77Å; L56-R60 WeakPolarHBondContact O-CB 3.33Å; L56-R60 PolarHBondContact O-N 2.89Å; L56-I171 HydrophobicContact CD1-CG2 4.01Å; L56-I171 HydrophobicContact CG-CG2 4.43Å; L56-W174 HydrophobicContact CD1-CB 4.15Å; L56-W174 HydrophobicContact CD2-CB 3.69Å; L56-W174 WeakPolarHBondContact CD2-O 3.35Å |
| 57 | L | 77.8 | Confident | 73.4 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 177.4 | -178.7 | 63.8 | 0 | 0 | 0 | 110.9 | L51 T54 L61 | L51-L57 HydrophobicContact CB-CD2 4.06Å; T54-L57 PolarHBondContact O-N 2.96Å; T54-L57 VanDerWaalsContact O-N 3.14Å; T54-L57 WeakPolarHBondContact OG1-CB 3.21Å; T54-L57 PolarHBondContact OG1-N 2.83Å; L57-L61 HydrophobicContact CG-CD1 4.29Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 2.83Å |
| 58 | L | 73.5 | Confident | 74.6 | Confident | 73 Ų | 73 | 50.4 Ų | 50.4 | 38% | 0.382 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 178 | -157.3 | 81.4 | 0 | 0 | 0 | 111.8 | T54 S55 L56 R60 L61 A62 I214 | T54-L58 PolarHBondContact O-N 2.9Å; T54-L58 VanDerWaalsContact O-N 3.15Å; S55-L58 PolarHBondContact O-N 3.08Å; L56-L58 VanDerWaalsContact C-N 3.27Å; L56-L58 PolarHBondContact O-N 2.76Å; L58-R60 VanDerWaalsContact C-N 3.33Å; L58-R60 PolarHBondContact O-N 3.35Å; L58-L61 PolarHBondContact O-N 3.05Å; L58-A62 WeakPolarHBondContact O-CB 3.23Å; L58-A62 PolarHBondContact O-N 2.85Å; L58-I214 HydrophobicContact CD1-CB 4.33Å; L58-I214 HydrophobicContact CD1-CD1 3.46Å; L58-I214 VanDerWaalsContact CD1-CD1 3.46Å; L58-I214 HydrophobicContact CD1-CG1 3.9Å; L58-I214 HydrophobicContact CD1-CG2 3.7Å; L58-I214 HydrophobicContact CD2-CD1 3.97Å; L58-I214 HydrophobicContact CG-CD1 4.35Å |
| 59 | S | 80.9 | Confident | 75.8 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.1 | 60.6 | 0 | 0 | 0 | 0 | 111 | S55 L56 L61 A62 I63 | S55-S59 PolarHBondContact O-N 2.89Å; S55-S59 PolarHBondContact O-OG 3.06Å; L56-S59 WeakPolarHBondContact CA-OG 3.33Å; L56-S59 PolarHBondContact O-N 3.29Å; L56-S59 PolarHBondContact O-OG 2.77Å; S59-L61 PolarHBondContact O-N 2.76Å; S59-A62 PolarHBondContact O-N 2.76Å; S59-I63 WeakPolarHBondContact O-CB 3.44Å; S59-I63 WeakPolarHBondContact O-CD1 3.19Å; S59-I63 WeakPolarHBondContact O-CG1 3.38Å; S59-I63 PolarHBondContact O-N 2.82Å |
| 60 | R | 81.6 | Confident | 77.1 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -42.4 | 175.9 | -167.9 | -178.9 | -73.3 | 141.4 | 2.2 | 112.7 | L56 L58 S64 Q168 I171 W174 D176 | L56-R60 WeakPolarHBondContact O-CB 3.33Å; L56-R60 PolarHBondContact O-N 2.89Å; L58-R60 VanDerWaalsContact C-N 3.33Å; L58-R60 PolarHBondContact O-N 3.35Å; R60-S64 WeakPolarHBondContact O-CB 3.42Å; R60-S64 PolarHBondContact O-N 2.78Å; R60-S64 PolarHBondContact O-OG 2.87Å; R60-Q168 VanDerWaalsContact CG-NE2 3.29Å; R60-Q168 PolarHBondContact O-NE2 3.09Å; R60-Q168 PolarHBondContact O-OE1 3.33Å; R60-I171 HydrophobicContact CB-CG2 3.91Å; R60-I171 HydrophobicContact CG-CG2 4.38Å; R60-I171 PolarHBondContact NH2-O 3.38Å; R60-W174 PolarHBondContact NH2-O 2.91Å; R60-D176 IonicContact CZ-OD1 3.49Å; R60-D176 VanDerWaalsContact NH1-CG 3.32Å; R60-D176 IonicContact NH1-OD1 3.98Å; R60-D176 PolarHBondContact NH1-OD1 3.29Å; R60-D176 IonicContact NH1-OD2 3.17Å; R60-D176 PolarHBondContact NH1-OD2 3.47Å; R60-D176 VanDerWaalsContact NH1-OD2 3.11Å; R60-D176 IonicContact NH2-OD1 3.22Å |
| 61 | L | 82.4 | Confident | 78 | Confident | 43 Ų | 43 | 38.7 Ų | 38.7 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.3 | -38.8 | 176.7 | -75 | 172.8 | 0 | 0 | 0 | 112.3 | L57 L58 S59 S64 F65 T110 V111 | L57-L61 HydrophobicContact CG-CD1 4.29Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 2.83Å; L58-L61 PolarHBondContact O-N 3.05Å; S59-L61 PolarHBondContact O-N 2.76Å; L61-S64 WeakPolarHBondContact CA-OG 3.4Å; L61-S64 PolarHBondContact O-OG 2.98Å; L61-S64 VanDerWaalsContact O-OG 3.07Å; L61-F65 VanDerWaalsContact O-CB 3.27Å; L61-F65 WeakPolarHBondContact O-CB 3.4Å; L61-F65 PolarHBondContact O-N 2.95Å; L61-T110 HydrophobicContact CD2-CG2 3.9Å; L61-V111 HydrophobicContact CD2-CG2 3.79Å |
| 62 | A | 80.8 | Confident | 78.6 | Confident | 50 Ų | 50 | 40 Ų | 40 | 41% | 0.413 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L58 S59 F65 L66 | L58-A62 WeakPolarHBondContact O-CB 3.23Å; L58-A62 PolarHBondContact O-N 2.85Å; S59-A62 PolarHBondContact O-N 2.76Å; A62-F65 PolarHBondContact O-N 3.3Å; A62-L66 WeakPolarHBondContact O-CG 3.27Å; A62-L66 PolarHBondContact O-N 3.33Å |
| 63 | I | 86.2 | Confident | 79.4 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.8 | -42.7 | -178 | -70.2 | 159.6 | 0 | 0 | 0 | 111 | S59 F65 L66 L67 V167 Q168 I171 | S59-I63 WeakPolarHBondContact O-CB 3.44Å; S59-I63 WeakPolarHBondContact O-CD1 3.19Å; S59-I63 WeakPolarHBondContact O-CG1 3.38Å; S59-I63 PolarHBondContact O-N 2.82Å; I63-F65 PolarHBondContact O-N 3.47Å; I63-L66 PolarHBondContact O-N 2.99Å; I63-L67 VanDerWaalsContact O-CB 3.24Å; I63-L67 WeakPolarHBondContact O-CB 3.12Å; I63-L67 PolarHBondContact O-N 3.41Å; I63-V167 HydrophobicContact CD1-CG1 3.72Å; I63-Q168 HydrophobicContact CG2-CB 3.94Å; I63-I171 HydrophobicContact CD1-CD1 3.08Å; I63-I171 HydrophobicContact CG1-CD1 4.48Å |
| 64 | S | 84 | Confident | 80.3 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.1 | -35.4 | 171.7 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | R60 L61 L67 V68 F107 | R60-S64 WeakPolarHBondContact O-CB 3.42Å; R60-S64 PolarHBondContact O-N 2.78Å; R60-S64 PolarHBondContact O-OG 2.87Å; L61-S64 WeakPolarHBondContact CA-OG 3.4Å; L61-S64 PolarHBondContact O-OG 2.98Å; L61-S64 VanDerWaalsContact O-OG 3.07Å; S64-L67 WeakPolarHBondContact O-CB 3.49Å; S64-L67 PolarHBondContact O-N 2.8Å; S64-V68 WeakPolarHBondContact O-CG2 3.33Å; S64-V68 PolarHBondContact O-N 2.9Å; S64-F107 WeakPolarHBondContact OG-CD2 3.4Å |
| 65 | F | 81.6 | Confident | 80.6 | Confident | 68 Ų | 68 | 37.1 Ų | 37.1 | 30% | 0.298 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.2 | -43.7 | 173.7 | -179.3 | -106.8 | 0 | 0 | 0 | 112.8 | L61 A62 I63 L67 V68 I69 F107 F368 | L61-F65 VanDerWaalsContact O-CB 3.27Å; L61-F65 WeakPolarHBondContact O-CB 3.4Å; L61-F65 PolarHBondContact O-N 2.95Å; A62-F65 PolarHBondContact O-N 3.3Å; I63-F65 PolarHBondContact O-N 3.47Å; F65-L67 PolarHBondContact O-N 3.2Å; F65-V68 WeakPolarHBondContact O-CB 3.47Å; F65-V68 PolarHBondContact O-N 3.13Å; F65-I69 HydrophobicContact CD1-CD1 3.93Å; F65-I69 HydrophobicContact CE1-CD1 3.39Å; F65-I69 HydrophobicContact CE1-CG1 4.28Å; F65-I69 HydrophobicContact CZ-CD1 3.76Å; F65-I69 HydrophobicContact CZ-CG1 4.26Å; F65-I69 PolarHBondContact O-N 3.07Å; F65-F107 HydrophobicContact CB-CD2 4.26Å; F65-F107 HydrophobicContact CB-CE2 3.74Å; F65-F107 HydrophobicContact CB-CZ 4.22Å; F65-F107 HydrophobicContact CD2-CE1 4.31Å; F65-F107 HydrophobicContact CD2-CE2 4.27Å; F65-F107 AromaticContact CD2-CZ 3.94Å; F65-F107 HydrophobicContact CD2-CZ 3.94Å; F65-F107 HydrophobicContact CG-CE2 4.47Å; F65-F368 HydrophobicContact CE1-CE1 4.4Å; F65-F368 HydrophobicContact CE2-CE1 4.03Å; F65-F368 AromaticContact CE2-CZ 3.93Å; F65-F368 HydrophobicContact CE2-CZ 3.93Å; F65-F368 HydrophobicContact CZ-CD1 4.38Å; F65-F368 AromaticContact CZ-CE1 3.39Å; F65-F368 HydrophobicContact CZ-CE1 3.39Å; F65-F368 AromaticContact CZ-CZ 3.5Å; F65-F368 HydrophobicContact CZ-CZ 3.5Å; F65-F368 VanDerWaalsContact CZ-CZ 3.5Å |
| 66 | L | 84 | Confident | 80.6 | Confident | 84 Ų | 84 | 33.1 Ų | 33.1 | 44% | 0.44 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.6 | -34.2 | 172.3 | -73.9 | 172.1 | 0 | 0 | 0 | 111.7 | A62 I63 I69 A70 L164 | A62-L66 WeakPolarHBondContact O-CG 3.27Å; A62-L66 PolarHBondContact O-N 3.33Å; I63-L66 PolarHBondContact O-N 2.99Å; L66-I69 WeakPolarHBondContact O-CB 3.38Å; L66-I69 PolarHBondContact O-N 3.28Å; L66-A70 WeakPolarHBondContact O-CB 3.09Å; L66-A70 PolarHBondContact O-N 2.85Å; L66-L164 HydrophobicContact CB-CD1 4.06Å; L66-L164 HydrophobicContact CB-CD2 4.27Å; L66-L164 HydrophobicContact CD1-CD2 4.4Å |
| 67 | L | 87.5 | Confident | 80.3 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.5 | -37.3 | 179.2 | -160.3 | 146.2 | 0 | 0 | 0 | 111.8 | I63 S64 F65 A70 S71 M103 Y161 L164 L165 Q168 | I63-L67 VanDerWaalsContact O-CB 3.24Å; I63-L67 WeakPolarHBondContact O-CB 3.12Å; I63-L67 PolarHBondContact O-N 3.41Å; S64-L67 WeakPolarHBondContact O-CB 3.49Å; S64-L67 PolarHBondContact O-N 2.8Å; F65-L67 PolarHBondContact O-N 3.2Å; L67-A70 PolarHBondContact O-N 2.83Å; L67-S71 WeakPolarHBondContact O-CB 3.48Å; L67-S71 PolarHBondContact O-N 3.19Å; L67-S71 PolarHBondContact O-OG 3.27Å; L67-M103 HydrophobicContact CD2-CB 3.78Å; L67-M103 HydrophobicContact CD2-CE 4Å; L67-M103 HydrophobicContact CD2-CG 3.33Å; L67-M103 HydrophobicContact CD2-SD 3.19Å; L67-M103 WeakPolarHBondContact CD2-SD 3.44Å; L67-Y161 HydrophobicContact CD2-CD2 4.27Å; L67-Y161 HydrophobicContact CD2-CE2 3.75Å; L67-Y161 HydrophobicContact CG-CD2 4.21Å; L67-Y161 HydrophobicContact CG-CE2 4.16Å; L67-L164 HydrophobicContact CD1-CB 4.11Å; L67-L164 HydrophobicContact CG-CB 4.4Å; L67-L165 HydrophobicContact CD1-CB 3.83Å; L67-L165 HydrophobicContact CD1-CD1 3.88Å; L67-L165 HydrophobicContact CD1-CG 4.48Å; L67-Q168 HydrophobicContact CD1-CB 4.27Å |
| 68 | V | 84.7 | Confident | 79.9 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 167.3 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | S64 F65 A70 S71 I72 M103 I104 F107 | S64-V68 WeakPolarHBondContact O-CG2 3.33Å; S64-V68 PolarHBondContact O-N 2.9Å; F65-V68 WeakPolarHBondContact O-CB 3.47Å; F65-V68 PolarHBondContact O-N 3.13Å; V68-A70 VanDerWaalsContact C-N 3.35Å; V68-A70 PolarHBondContact O-N 3.1Å; V68-S71 PolarHBondContact O-N 3.31Å; V68-S71 PolarHBondContact O-OG 3.47Å; V68-I72 HydrophobicContact CG1-CD1 3.66Å; V68-I72 HydrophobicContact CG1-CG1 4.39Å; V68-I72 WeakPolarHBondContact O-CB 3.11Å; V68-I72 VanDerWaalsContact O-CG1 3.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.16Å; V68-I72 PolarHBondContact O-N 2.97Å; V68-M103 HydrophobicContact CG2-CB 4.39Å; V68-M103 WeakPolarHBondContact CG2-O 3.47Å; V68-I104 HydrophobicContact CG1-CG1 3.72Å; V68-I104 HydrophobicContact CG2-CG1 4.46Å; V68-F107 HydrophobicContact CG2-CB 3.65Å; V68-F107 HydrophobicContact CG2-CG 4.14Å |
| 69 | I | 80.5 | Confident | 79.5 | Confident | 68 Ų | 68 | 30.2 Ų | 30.2 | 35% | 0.349 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.4 | -49.2 | 177.6 | -66.5 | 169 | 0 | 0 | 0 | 110.3 | F65 L66 S71 I72 T73 | F65-I69 HydrophobicContact CD1-CD1 3.93Å; F65-I69 HydrophobicContact CE1-CD1 3.39Å; F65-I69 HydrophobicContact CE1-CG1 4.28Å; F65-I69 HydrophobicContact CZ-CD1 3.76Å; F65-I69 HydrophobicContact CZ-CG1 4.26Å; F65-I69 PolarHBondContact O-N 3.07Å; L66-I69 WeakPolarHBondContact O-CB 3.38Å; L66-I69 PolarHBondContact O-N 3.28Å; I69-S71 PolarHBondContact O-N 3.38Å; I69-I72 PolarHBondContact O-N 3.08Å; I69-T73 HydrophobicContact CG2-CG2 4.25Å; I69-T73 VanDerWaalsContact O-CG2 3.32Å; I69-T73 WeakPolarHBondContact O-CG2 3.44Å; I69-T73 PolarHBondContact O-N 3.49Å; I69-T73 PolarHBondContact O-OG1 2.95Å |
| 70 | A | 84.4 | Confident | 78.7 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.9 | -49.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L66 L67 V68 I72 T73 T74 Y161 L164 | L66-A70 WeakPolarHBondContact O-CB 3.09Å; L66-A70 PolarHBondContact O-N 2.85Å; L67-A70 PolarHBondContact O-N 2.83Å; V68-A70 VanDerWaalsContact C-N 3.35Å; V68-A70 PolarHBondContact O-N 3.1Å; A70-I72 PolarHBondContact O-N 2.89Å; A70-T73 WeakPolarHBondContact CA-OG1 3.44Å; A70-T73 PolarHBondContact O-N 3.06Å; A70-T73 VanDerWaalsContact O-N 3.09Å; A70-T73 PolarHBondContact O-OG1 2.68Å; A70-T74 PolarHBondContact O-N 3Å; A70-T74 PolarHBondContact O-OG1 2.74Å; A70-Y161 HydrophobicContact CB-CD2 4.29Å; A70-L164 HydrophobicContact CB-CD1 3.85Å |
| 71 | S | 84 | Confident | 78 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 178.9 | 67.2 | 0 | 0 | 0 | 0 | 113 | L67 V68 I69 T74 C75 | L67-S71 WeakPolarHBondContact O-CB 3.48Å; L67-S71 PolarHBondContact O-N 3.19Å; L67-S71 PolarHBondContact O-OG 3.27Å; V68-S71 PolarHBondContact O-N 3.31Å; V68-S71 PolarHBondContact O-OG 3.47Å; I69-S71 PolarHBondContact O-N 3.38Å; S71-T74 PolarHBondContact O-N 3.11Å; S71-C75 WeakPolarHBondContact O-CB 3.35Å; S71-C75 PolarHBondContact O-N 3.1Å |
| 72 | I | 78.3 | Confident | 77.1 | Confident | 40 Ų | 40 | 30 Ų | 30 | 21% | 0.205 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 174 | -67.3 | 169.9 | 0 | 0 | 0 | 109.6 | V68 I69 A70 T74 C75 C76 I104 | V68-I72 HydrophobicContact CG1-CD1 3.66Å; V68-I72 HydrophobicContact CG1-CG1 4.39Å; V68-I72 WeakPolarHBondContact O-CB 3.11Å; V68-I72 VanDerWaalsContact O-CG1 3.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.16Å; V68-I72 PolarHBondContact O-N 2.97Å; I69-I72 PolarHBondContact O-N 3.08Å; A70-I72 PolarHBondContact O-N 2.89Å; I72-T74 VanDerWaalsContact C-N 3.31Å; I72-T74 PolarHBondContact O-N 3.14Å; I72-C75 PolarHBondContact O-N 3.1Å; I72-C76 WeakPolarHBondContact O-CB 3.35Å; I72-C76 PolarHBondContact O-N 3.4Å; I72-C76 PolarHBondContact O-SG 2.84Å; I72-I104 HydrophobicContact CD1-CD1 4.22Å; I72-I104 HydrophobicContact CD1-CG1 4.47Å; I72-I104 HydrophobicContact CG1-CD1 4.47Å |
| 73 | T | 77.1 | Confident | 76 | Confident | 49 Ų | 49 | 30 Ų | 30 | 30% | 0.301 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.7 | -39 | 178.2 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | I69 A70 C76 L77 S157 | I69-T73 HydrophobicContact CG2-CG2 4.25Å; I69-T73 VanDerWaalsContact O-CG2 3.32Å; I69-T73 WeakPolarHBondContact O-CG2 3.44Å; I69-T73 PolarHBondContact O-N 3.49Å; I69-T73 PolarHBondContact O-OG1 2.95Å; A70-T73 WeakPolarHBondContact CA-OG1 3.44Å; A70-T73 PolarHBondContact O-N 3.06Å; A70-T73 VanDerWaalsContact O-N 3.09Å; A70-T73 PolarHBondContact O-OG1 2.68Å; T73-C76 PolarHBondContact O-N 3.07Å; T73-L77 WeakPolarHBondContact O-CB 3.46Å; T73-L77 WeakPolarHBondContact O-CD1 3.33Å; T73-L77 WeakPolarHBondContact O-CG 3.28Å; T73-L77 PolarHBondContact O-N 2.65Å; T73-S157 PolarHBondContact OG1-OG 2.92Å |
| 74 | T | 78.1 | Confident | 74.8 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -49.5 | 177.7 | -46.2 | 0 | 0 | 0 | 0 | 110.4 | A70 S71 I72 C76 L77 Y96 L154 S157 Y158 | A70-T74 PolarHBondContact O-N 3Å; A70-T74 PolarHBondContact O-OG1 2.74Å; S71-T74 PolarHBondContact O-N 3.11Å; I72-T74 VanDerWaalsContact C-N 3.31Å; I72-T74 PolarHBondContact O-N 3.14Å; T74-C76 PolarHBondContact O-N 2.8Å; T74-L77 PolarHBondContact O-N 2.67Å; T74-Y96 HydrophobicContact CG2-CD1 4.16Å; T74-Y96 HydrophobicContact CG2-CE1 4.27Å; T74-L154 HydrophobicContact CG2-CD1 3.71Å; T74-L154 VanDerWaalsContact O-CD1 3.29Å; T74-L154 WeakPolarHBondContact O-CD1 3.02Å; T74-S157 WeakPolarHBondContact CA-OG 3.23Å; T74-S157 PolarHBondContact N-OG 3.48Å; T74-S157 PolarHBondContact OG1-OG 2.91Å; T74-Y158 HydrophobicContact CG2-CD2 4.19Å |
| 75 | C | 77.4 | Confident | 73.5 | Confident | 31 Ų | 31 | 37.4 Ų | 37.4 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.8 | -37.2 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 112 | S71 I72 I78 A100 | S71-C75 WeakPolarHBondContact O-CB 3.35Å; S71-C75 PolarHBondContact O-N 3.1Å; I72-C75 PolarHBondContact O-N 3.1Å; C75-I78 WeakPolarHBondContact O-CD1 3.47Å; C75-A100 HydrophobicContact CB-CB 4.12Å |
| 76 | C | 68.7 | Low | 72.5 | Confident | 24 Ų | 24 | 37 Ų | 37 | 16% | 0.162 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -82.7 | -18.3 | -177.7 | -77.8 | 0 | 0 | 0 | 0 | 115.2 | I72 T73 T74 I78 P79 F357 | I72-C76 WeakPolarHBondContact O-CB 3.35Å; I72-C76 PolarHBondContact O-N 3.4Å; I72-C76 PolarHBondContact O-SG 2.84Å; T73-C76 PolarHBondContact O-N 3.07Å; T74-C76 PolarHBondContact O-N 2.8Å; C76-I78 VanDerWaalsContact C-N 3.31Å; C76-P79 WeakPolarHBondContact O-CD 3.5Å; C76-F357 HydrophobicContact CB-CD2 3.35Å; C76-F357 HydrophobicContact CB-CE2 3.12Å; C76-F357 HydrophobicContact CB-CG 4.25Å; C76-F357 HydrophobicContact CB-CZ 3.81Å; C76-F357 VanDerWaalsContact SG-CD2 3.5Å; C76-F357 VanDerWaalsContact SG-CE2 3.56Å |
| 77 | L | 72.7 | Confident | 71.1 | Confident | 38 Ų | 38 | 38.9 Ų | 38.9 | 20% | 0.199 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -78.5 | -17.2 | 176.4 | -82.5 | 160.1 | 0 | 0 | 0 | 112.1 | T73 T74 S80 V81 N153 L154 | T73-L77 WeakPolarHBondContact O-CB 3.46Å; T73-L77 WeakPolarHBondContact O-CD1 3.33Å; T73-L77 WeakPolarHBondContact O-CG 3.28Å; T73-L77 PolarHBondContact O-N 2.65Å; T74-L77 PolarHBondContact O-N 2.67Å; L77-S80 WeakPolarHBondContact O-CA 3.32Å; L77-S80 WeakPolarHBondContact O-CB 3.48Å; L77-S80 PolarHBondContact O-N 2.84Å; L77-S80 PolarHBondContact O-OG 3.04Å; L77-V81 PolarHBondContact O-N 3.45Å; L77-V81 VanDerWaalsContact O-N 3.07Å; L77-N153 HydrophobicContact CD2-CB 4.32Å; L77-L154 HydrophobicContact CB-CD1 3.95Å |
| 78 | I | 70 | Confident | 70 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.5 | -49 | -177.9 | -59.8 | 162.9 | 0 | 0 | 0 | 112.4 | C75 C76 S80 V81 Q82 I88 E93 Y96 L154 | C75-I78 WeakPolarHBondContact O-CD1 3.47Å; C76-I78 VanDerWaalsContact C-N 3.31Å; I78-S80 PolarHBondContact O-N 3.16Å; I78-V81 PolarHBondContact O-N 3.16Å; I78-V81 VanDerWaalsContact O-N 3.12Å; I78-Q82 HydrophobicContact CG2-CG 4.49Å; I78-Q82 PolarHBondContact O-N 3.14Å; I78-I88 HydrophobicContact CG2-CD1 3.9Å; I78-I88 HydrophobicContact CG2-CG2 4.17Å; I78-E93 HydrophobicContact CG2-CG 3.97Å; I78-Y96 HydrophobicContact CD1-CD2 3.3Å; I78-Y96 HydrophobicContact CD1-CE2 4.22Å; I78-Y96 HydrophobicContact CD1-CG 3.66Å; I78-Y96 HydrophobicContact CG1-CD2 4.07Å; I78-L154 HydrophobicContact CG1-CD1 4.08Å |
| 79 | P | 64.3 | Low | 69.1 | Low | 18 Ų | 18 | 44 Ų | 44 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.6 | -35.9 | 174 | -27.4 | 36.7 | 0 | 0 | 0 | 113.7 | C76 V81 A83 S353 | C76-P79 WeakPolarHBondContact O-CD 3.5Å; P79-V81 VanDerWaalsContact C-N 3.33Å; P79-A83 PolarHBondContact O-N 2.91Å; P79-A83 VanDerWaalsContact O-N 3.11Å; P79-S353 WeakPolarHBondContact CB-OG 3.36Å |
| 80 | S | 63.9 | Low | 68.4 | Low | 28 Ų | 28 | 45.1 Ų | 45.1 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.8 | -31.7 | -179.9 | 78.2 | 0 | 0 | 0 | 0 | 112.4 | L77 I78 | L77-S80 WeakPolarHBondContact O-CA 3.32Å; L77-S80 WeakPolarHBondContact O-CB 3.48Å; L77-S80 PolarHBondContact O-N 2.84Å; L77-S80 PolarHBondContact O-OG 3.04Å; I78-S80 PolarHBondContact O-N 3.16Å |
| 81 | V | 67.5 | Low | 67.7 | Low | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -82.6 | -34.8 | 177.3 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | L77 I78 P79 A83 T84 V86 I88 L154 | L77-V81 PolarHBondContact O-N 3.45Å; L77-V81 VanDerWaalsContact O-N 3.07Å; I78-V81 PolarHBondContact O-N 3.16Å; I78-V81 VanDerWaalsContact O-N 3.12Å; P79-V81 VanDerWaalsContact C-N 3.33Å; V81-A83 PolarHBondContact O-N 3.26Å; V81-T84 PolarHBondContact O-N 2.85Å; V81-T84 PolarHBondContact O-OG1 2.88Å; V81-V86 HydrophobicContact CG1-CB 4.14Å; V81-V86 HydrophobicContact CG1-CG2 4.31Å; V81-I88 HydrophobicContact CB-CD1 4.29Å; V81-I88 HydrophobicContact CG1-CD1 4.11Å; V81-L154 HydrophobicContact CG2-CB 3.87Å |
| 82 | Q | 63.3 | Low | 66.9 | Low | 54 Ų | 54 | 48.4 Ų | 48.4 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -37.9 | 170 | -78.1 | 176.1 | -29.9 | 0 | 0 | 112 | I78 T84 A85 I88 E93 | I78-Q82 HydrophobicContact CG2-CG 4.49Å; I78-Q82 PolarHBondContact O-N 3.14Å; Q82-T84 PolarHBondContact O-N 2.95Å; Q82-A85 PolarHBondContact O-N 3.41Å; Q82-A85 VanDerWaalsContact O-N 3.14Å; Q82-I88 HydrophobicContact CG-CB 4.09Å; Q82-I88 HydrophobicContact CG-CD1 4.1Å; Q82-I88 HydrophobicContact CG-CG1 4.24Å; Q82-E93 PolarHBondContact NE2-OE1 3.4Å; Q82-E93 PolarHBondContact OE1-OE1 3.45Å |
| 83 | A | 58.4 | Low | 66.6 | Low | 50 Ų | 50 | 50.1 Ų | 50.1 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -21 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P79 V81 A85 L350 | P79-A83 PolarHBondContact O-N 2.91Å; P79-A83 VanDerWaalsContact O-N 3.11Å; V81-A83 PolarHBondContact O-N 3.26Å; A83-A85 VanDerWaalsContact C-N 3.28Å; A83-A85 PolarHBondContact O-N 3.24Å; A83-L350 HydrophobicContact CB-CD2 4.03Å |
| 84 | T | 60.5 | Low | 66.6 | Low | 94 Ų | 94 | 51.7 Ų | 51.7 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 22.2 | 175.3 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | V81 Q82 V86 | V81-T84 PolarHBondContact O-N 2.85Å; V81-T84 PolarHBondContact O-OG1 2.88Å; Q82-T84 PolarHBondContact O-N 2.95Å; T84-V86 VanDerWaalsContact C-N 3.33Å; T84-V86 PolarHBondContact O-N 2.77Å |
| 85 | A | 57.5 | Low | 66.6 | Low | 93 Ų | 93 | 52 Ų | 52 | 77% | 0.769 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 20.9 | 176 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q82 A83 P87 | Q82-A85 PolarHBondContact O-N 3.41Å; Q82-A85 VanDerWaalsContact O-N 3.14Å; A83-A85 VanDerWaalsContact C-N 3.28Å; A83-A85 PolarHBondContact O-N 3.24Å; A85-P87 WeakPolarHBondContact O-CD 3.08Å |
| 86 | V | 59.4 | Low | 66.7 | Low | 60 Ų | 60 | 51.7 Ų | 51.7 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | trans | -89.7 | 113 | 168.8 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | V81 T84 I88 | V81-V86 HydrophobicContact CG1-CB 4.14Å; V81-V86 HydrophobicContact CG1-CG2 4.31Å; T84-V86 VanDerWaalsContact C-N 3.33Å; T84-V86 PolarHBondContact O-N 2.77Å; V86-I88 PolarHBondContact O-N 2.98Å | ||
| 87 | P | 56 | Low | 67.2 | Low | 123 Ų | 123 | 52.9 Ų | 52.9 | 80% | 0.799 | 32% | 0.323 | S | S | * | . | trans | -69.7 | 113.7 | 177.5 | 27.4 | -31.8 | 0 | 0 | 0 | 109.5 | A85 | A85-P87 WeakPolarHBondContact O-CD 3.08Š| ||
| 88 | I | 62.6 | Low | 67.7 | Low | 29 Ų | 29 | 52.3 Ų | 52.3 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | trans | -103.7 | 129.2 | 172.6 | -61.6 | 177.3 | 0 | 0 | 0 | 107 | I78 V81 Q82 V86 D92 L154 | I78-I88 HydrophobicContact CG2-CD1 3.9Å; I78-I88 HydrophobicContact CG2-CG2 4.17Å; V81-I88 HydrophobicContact CB-CD1 4.29Å; V81-I88 HydrophobicContact CG1-CD1 4.11Å; Q82-I88 HydrophobicContact CG-CB 4.09Å; Q82-I88 HydrophobicContact CG-CD1 4.1Å; Q82-I88 HydrophobicContact CG-CG1 4.24Å; V86-I88 PolarHBondContact O-N 2.98Å; I88-D92 HydrophobicContact CG2-CB 3.72Å; I88-L154 HydrophobicContact CD1-CD2 4.44Å | ||
| 89 | N | 65.6 | Low | 68.3 | Low | 98 Ų | 98 | 52.5 Ų | 52.5 | 52% | 0.524 | 32% | 0.321 | S | S | . | . | trans | -69.3 | 148.1 | -179.5 | -78.5 | -26.5 | 0 | 0 | 0 | 110.2 | I91 D92 E93 | N89-I91 PolarHBondContact O-N 2.95Å; N89-I91 VanDerWaalsContact O-N 3.09Å; N89-D92 PolarHBondContact N-OD2 3.31Å; N89-D92 WeakPolarHBondContact O-CB 3.44Å; N89-D92 PolarHBondContact O-N 2.76Å; N89-E93 PolarHBondContact O-N 3.32Å | ||
| 90 | S | 66.8 | Low | 69.2 | Low | 90 Ų | 90 | 52 Ų | 52 | 63% | 0.629 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.9 | -24.7 | 176.1 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | L94 | S90-L94 PolarHBondContact O-N 3.35Å |
| 91 | I | 69.6 | Low | 70.2 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68 | -36.3 | 175.3 | -64.8 | 170.9 | 0 | 0 | 0 | 111.1 | C18 T22 N89 L94 A95 | C18-I91 WeakPolarHBondContact SG-CD1 3.11Å; T22-I91 HydrophobicContact CG2-CG2 3.76Å; N89-I91 PolarHBondContact O-N 2.95Å; N89-I91 VanDerWaalsContact O-N 3.09Å; I91-L94 WeakPolarHBondContact O-CB 3.21Å; I91-L94 PolarHBondContact O-N 2.98Å; I91-A95 PolarHBondContact O-N 3.17Å |
| 92 | D | 68.4 | Low | 71.1 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.112 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71.6 | -39.9 | 180 | -55.2 | -28.3 | 0 | 0 | 0 | 110.3 | H21 I88 N89 L94 A95 Y96 | H21-D92 IonicContact CD2-OD1 3.92Å; H21-D92 PolarHBondContact CD2-OD1 2.9Å; H21-D92 IonicContact CE1-OD1 2.71Å; H21-D92 IonicContact CG-OD1 2.75Å; H21-D92 VanDerWaalsContact CG-OD1 3.22Å; H21-D92 IonicContact ND1-OD1 3.18Å; H21-D92 IonicContact NE2-OD1 3.35Å; I88-D92 HydrophobicContact CG2-CB 3.72Å; N89-D92 PolarHBondContact N-OD2 3.31Å; N89-D92 WeakPolarHBondContact O-CB 3.44Å; N89-D92 PolarHBondContact O-N 2.76Å; D92-L94 VanDerWaalsContact C-N 3.25Å; D92-L94 PolarHBondContact O-N 2.95Å; D92-A95 WeakPolarHBondContact O-CB 3.45Å; D92-A95 PolarHBondContact O-N 3.05Å; D92-A95 VanDerWaalsContact O-N 3.12Å; D92-Y96 HydrophobicContact CB-CE2 4.31Å; D92-Y96 WeakPolarHBondContact O-CD2 3.39Å; D92-Y96 PolarHBondContact O-N 3.03Å |
| 93 | E | 70.3 | Confident | 72.3 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.8 | -42.4 | 171.4 | -65.7 | -173.6 | 160.9 | 0 | 0 | 111.9 | I78 Q82 N89 S97 | I78-E93 HydrophobicContact CG2-CG 3.97Å; Q82-E93 PolarHBondContact NE2-OE1 3.4Å; Q82-E93 PolarHBondContact OE1-OE1 3.45Å; N89-E93 PolarHBondContact O-N 3.32Å; E93-S97 WeakPolarHBondContact O-CB 3.49Å; E93-S97 PolarHBondContact O-N 2.67Å; E93-S97 VanDerWaalsContact O-N 3.12Å; E93-S97 PolarHBondContact O-OG 3.5Å |
| 94 | L | 78 | Confident | 73.5 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 177.2 | -160.7 | 110.2 | 0 | 0 | 0 | 111.5 | W26 S90 I91 D92 S97 L98 | W26-L94 HydrophobicContact CH2-CD2 4.48Å; W26-L94 HydrophobicContact CZ2-CD2 3.46Å; W26-L94 VanDerWaalsContact CZ2-CD2 3.46Å; S90-L94 PolarHBondContact O-N 3.35Å; I91-L94 WeakPolarHBondContact O-CB 3.21Å; I91-L94 PolarHBondContact O-N 2.98Å; D92-L94 VanDerWaalsContact C-N 3.25Å; D92-L94 PolarHBondContact O-N 2.95Å; L94-S97 VanDerWaalsContact CA-OG 3.32Å; L94-S97 WeakPolarHBondContact CA-OG 3.18Å; L94-S97 PolarHBondContact O-N 3.11Å; L94-S97 PolarHBondContact O-OG 3.36Å; L94-L98 HydrophobicContact CD2-CD1 3.74Å; L94-L98 HydrophobicContact CG-CD1 4.28Å; L94-L98 WeakPolarHBondContact O-CB 3.5Å; L94-L98 WeakPolarHBondContact O-CG 3.37Å; L94-L98 PolarHBondContact O-N 2.97Å |
| 95 | A | 77.5 | Confident | 74.7 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | S25 I91 D92 S97 L98 N99 | S25-A95 WeakPolarHBondContact OG-CB 3.42Å; I91-A95 PolarHBondContact O-N 3.17Å; D92-A95 WeakPolarHBondContact O-CB 3.45Å; D92-A95 PolarHBondContact O-N 3.05Å; D92-A95 VanDerWaalsContact O-N 3.12Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 3.36Å; A95-L98 PolarHBondContact O-N 3.44Å; A95-N99 PolarHBondContact O-N 2.78Å |
| 96 | Y | 79.3 | Confident | 76 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 179.3 | -67.6 | -67 | 0 | 0 | 0 | 112.8 | T74 I78 D92 N99 A100 E138 Y158 | T74-Y96 HydrophobicContact CG2-CD1 4.16Å; T74-Y96 HydrophobicContact CG2-CE1 4.27Å; I78-Y96 HydrophobicContact CD1-CD2 3.3Å; I78-Y96 HydrophobicContact CD1-CE2 4.22Å; I78-Y96 HydrophobicContact CD1-CG 3.66Å; I78-Y96 HydrophobicContact CG1-CD2 4.07Å; D92-Y96 HydrophobicContact CB-CE2 4.31Å; D92-Y96 WeakPolarHBondContact O-CD2 3.39Å; D92-Y96 PolarHBondContact O-N 3.03Å; Y96-N99 PolarHBondContact O-N 3.47Å; Y96-A100 PolarHBondContact O-N 3.28Å; Y96-E138 WeakPolarHBondContact CE1-OE1 3.41Å; Y96-E138 VanDerWaalsContact CZ-OE1 3.27Å; Y96-E138 PolarHBondContact OH-OE1 3.2Å; Y96-Y158 HydrophobicContact CE1-CD2 4.01Å; Y96-Y158 HydrophobicContact CE1-CE2 4.18Å |
| 97 | S | 79.5 | Confident | 77.2 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 175.2 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | E93 L94 A95 A100 L101 | E93-S97 WeakPolarHBondContact O-CB 3.49Å; E93-S97 PolarHBondContact O-N 2.67Å; E93-S97 VanDerWaalsContact O-N 3.12Å; E93-S97 PolarHBondContact O-OG 3.5Å; L94-S97 VanDerWaalsContact CA-OG 3.32Å; L94-S97 WeakPolarHBondContact CA-OG 3.18Å; L94-S97 PolarHBondContact O-N 3.11Å; L94-S97 PolarHBondContact O-OG 3.36Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 3.36Å; S97-A100 PolarHBondContact O-N 3.14Å; S97-L101 WeakPolarHBondContact O-CB 3.49Å; S97-L101 PolarHBondContact O-N 3.33Å |
| 98 | L | 84 | Confident | 78.6 | Confident | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 170.7 | -75.5 | 169.7 | 0 | 0 | 0 | 111.7 | W26 F29 L94 A95 L101 A102 | W26-L98 HydrophobicContact CD2-CD1 4.3Å; W26-L98 HydrophobicContact CG-CD1 4.47Å; W26-L98 HydrophobicContact CZ2-CD1 4.25Å; F29-L98 HydrophobicContact CD1-CD2 3.93Å; F29-L98 HydrophobicContact CE1-CD2 3.55Å; F29-L98 HydrophobicContact CE2-CD2 4.2Å; F29-L98 HydrophobicContact CG-CD2 4.39Å; F29-L98 HydrophobicContact CZ-CD2 3.67Å; L94-L98 HydrophobicContact CD2-CD1 3.74Å; L94-L98 HydrophobicContact CG-CD1 4.28Å; L94-L98 WeakPolarHBondContact O-CB 3.5Å; L94-L98 WeakPolarHBondContact O-CG 3.37Å; L94-L98 PolarHBondContact O-N 2.97Å; A95-L98 PolarHBondContact O-N 3.44Å; L98-L101 PolarHBondContact O-N 3.27Å; L98-A102 WeakPolarHBondContact O-CB 3.37Å; L98-A102 PolarHBondContact O-N 3.02Å |
| 99 | N | 82.6 | Confident | 79.5 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 175.8 | -76.1 | -5.9 | 0 | 0 | 0 | 112 | A95 Y96 L101 A102 M103 Y131 E135 | A95-N99 PolarHBondContact O-N 2.78Å; Y96-N99 PolarHBondContact O-N 3.47Å; N99-L101 VanDerWaalsContact C-N 3.31Å; N99-L101 PolarHBondContact O-N 3.48Å; N99-A102 WeakPolarHBondContact O-CB 3.49Å; N99-A102 PolarHBondContact O-N 3.23Å; N99-A102 VanDerWaalsContact O-N 3.17Å; N99-M103 WeakPolarHBondContact O-CG 3.46Å; N99-M103 PolarHBondContact O-N 2.93Å; N99-Y131 WeakPolarHBondContact OD1-CE1 3.38Å; N99-E135 PolarHBondContact ND2-OE1 2.89Å |
| 100 | A | 82.9 | Confident | 80.3 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C75 Y96 S97 A102 M103 I104 | C75-A100 HydrophobicContact CB-CB 4.12Å; Y96-A100 PolarHBondContact O-N 3.28Å; S97-A100 PolarHBondContact O-N 3.14Å; A100-A102 VanDerWaalsContact C-N 3.34Å; A100-A102 PolarHBondContact O-N 3.22Å; A100-M103 PolarHBondContact O-N 3.15Å; A100-I104 WeakPolarHBondContact O-CD1 3.32Å; A100-I104 VanDerWaalsContact O-CG1 3.26Å; A100-I104 WeakPolarHBondContact O-CG1 3.27Å; A100-I104 PolarHBondContact O-N 3.14Å; A100-I104 VanDerWaalsContact O-N 3.08Å |
| 101 | L | 85.5 | Confident | 80.9 | Confident | 100 Ų | 100 | 38 Ų | 38 | 52% | 0.524 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 175.7 | -165.8 | 83.7 | 0 | 0 | 0 | 111.6 | F29 S97 L98 N99 M103 I104 F105 | F29-L101 HydrophobicContact CE2-CD2 3.92Å; F29-L101 HydrophobicContact CZ-CD2 3.77Å; S97-L101 WeakPolarHBondContact O-CB 3.49Å; S97-L101 PolarHBondContact O-N 3.33Å; L98-L101 PolarHBondContact O-N 3.27Å; N99-L101 VanDerWaalsContact C-N 3.31Å; N99-L101 PolarHBondContact O-N 3.48Å; L101-M103 PolarHBondContact O-N 3.35Å; L101-I104 PolarHBondContact O-N 3.43Å; L101-F105 VanDerWaalsContact O-CB 3.31Å; L101-F105 WeakPolarHBondContact O-CB 3.28Å; L101-F105 PolarHBondContact O-N 3.4Å |
| 102 | A | 86.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F29 L98 N99 A100 F105 L106 Y131 | F29-A102 HydrophobicContact CD2-CB 3.85Å; F29-A102 HydrophobicContact CE2-CB 4.34Å; L98-A102 WeakPolarHBondContact O-CB 3.37Å; L98-A102 PolarHBondContact O-N 3.02Å; N99-A102 WeakPolarHBondContact O-CB 3.49Å; N99-A102 PolarHBondContact O-N 3.23Å; N99-A102 VanDerWaalsContact O-N 3.17Å; A100-A102 VanDerWaalsContact C-N 3.34Å; A100-A102 PolarHBondContact O-N 3.22Å; A102-F105 CarbonylContact O-C 3.59Å; A102-F105 WeakPolarHBondContact O-CB 3.15Å; A102-F105 PolarHBondContact O-N 3.45Å; A102-F105 VanDerWaalsContact O-N 3.16Å; A102-L106 WeakPolarHBondContact O-CB 3.4Å; A102-L106 WeakPolarHBondContact O-CG 3.25Å; A102-L106 PolarHBondContact O-N 3.43Å; A102-Y131 HydrophobicContact CB-CE1 4.38Å; A102-Y131 HydrophobicContact CB-CE2 4.06Å; A102-Y131 WeakPolarHBondContact CB-OH 3.45Å |
| 103 | M | 87.3 | Confident | 81.9 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.4 | -38.1 | -177.5 | -64.2 | -52.5 | 173.1 | 0 | 0 | 112.1 | L67 V68 N99 A100 L101 F105 L106 F107 Y131 Y161 L165 | L67-M103 HydrophobicContact CD2-CB 3.78Å; L67-M103 HydrophobicContact CD2-CE 4Å; L67-M103 HydrophobicContact CD2-CG 3.33Å; L67-M103 HydrophobicContact CD2-SD 3.19Å; L67-M103 WeakPolarHBondContact CD2-SD 3.44Å; V68-M103 HydrophobicContact CG2-CB 4.39Å; V68-M103 WeakPolarHBondContact CG2-O 3.47Å; N99-M103 WeakPolarHBondContact O-CG 3.46Å; N99-M103 PolarHBondContact O-N 2.93Å; A100-M103 PolarHBondContact O-N 3.15Å; L101-M103 PolarHBondContact O-N 3.35Å; M103-F105 PolarHBondContact O-N 3.46Å; M103-L106 PolarHBondContact O-N 2.77Å; M103-L106 HydrophobicContact SD-CD1 3.89Å; M103-F107 WeakPolarHBondContact O-CB 3.49Å; M103-F107 PolarHBondContact O-N 3.43Å; M103-Y131 HydrophobicContact CE-CD1 3.73Å; M103-Y131 HydrophobicContact CE-CD2 3.93Å; M103-Y131 HydrophobicContact CE-CE1 4.17Å; M103-Y131 HydrophobicContact CE-CE2 4.35Å; M103-Y131 HydrophobicContact CE-CG 3.62Å; M103-Y161 HydrophobicContact CE-CE2 4.24Å; M103-Y161 WeakPolarHBondContact CE-OH 3.43Å; M103-Y161 HydrophobicContact CG-CE2 4.11Å; M103-L165 HydrophobicContact CE-CD1 3.86Å |
| 104 | I | 84.3 | Confident | 82.2 | Confident | 63 Ų | 63 | 35.2 Ų | 35.2 | 32% | 0.323 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.6 | -45.8 | 169.3 | -68.4 | 165.1 | 0 | 0 | 0 | 109.8 | V68 I72 A100 L101 F107 L108 | V68-I104 HydrophobicContact CG1-CG1 3.72Å; V68-I104 HydrophobicContact CG2-CG1 4.46Å; I72-I104 HydrophobicContact CD1-CD1 4.22Å; I72-I104 HydrophobicContact CD1-CG1 4.47Å; I72-I104 HydrophobicContact CG1-CD1 4.47Å; A100-I104 WeakPolarHBondContact O-CD1 3.32Å; A100-I104 VanDerWaalsContact O-CG1 3.26Å; A100-I104 WeakPolarHBondContact O-CG1 3.27Å; A100-I104 PolarHBondContact O-N 3.14Å; A100-I104 VanDerWaalsContact O-N 3.08Å; L101-I104 PolarHBondContact O-N 3.43Å; I104-F107 PolarHBondContact O-N 2.92Å; I104-L108 HydrophobicContact CG2-CD1 4.07Å; I104-L108 VanDerWaalsContact O-CG 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.27Å; I104-L108 PolarHBondContact O-N 3.33Å |
| 105 | F | 84.9 | Confident | 81.9 | Confident | 72 Ų | 72 | 36.8 Ų | 36.8 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.8 | -43.1 | -177.2 | -173 | -116 | 0 | 0 | 0 | 113.1 | S36 L101 A102 M103 F107 L108 L109 | S36-F105 WeakPolarHBondContact OG-CE1 3.3Å; S36-F105 WeakPolarHBondContact OG-CZ 3.14Å; L101-F105 VanDerWaalsContact O-CB 3.31Å; L101-F105 WeakPolarHBondContact O-CB 3.28Å; L101-F105 PolarHBondContact O-N 3.4Å; A102-F105 CarbonylContact O-C 3.59Å; A102-F105 WeakPolarHBondContact O-CB 3.15Å; A102-F105 PolarHBondContact O-N 3.45Å; A102-F105 VanDerWaalsContact O-N 3.16Å; M103-F105 PolarHBondContact O-N 3.46Å; F105-F107 PolarHBondContact O-N 2.96Å; F105-L108 PolarHBondContact O-N 3.33Å; F105-L109 HydrophobicContact CD1-CD1 3.79Å; F105-L109 HydrophobicContact CE1-CD1 3.66Å; F105-L109 HydrophobicContact CE1-CG 4.49Å; F105-L109 HydrophobicContact CG-CD1 4.41Å; F105-L109 HydrophobicContact CZ-CD1 4.11Å; F105-L109 WeakPolarHBondContact O-CG 3.4Å; F105-L109 PolarHBondContact O-N 3.47Å |
| 106 | L | 85.4 | Confident | 81.7 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -38.7 | 174.6 | -72.9 | 171.5 | 0 | 0 | 0 | 112.1 | A102 M103 L109 T110 L124 Y131 | A102-L106 WeakPolarHBondContact O-CB 3.4Å; A102-L106 WeakPolarHBondContact O-CG 3.25Å; A102-L106 PolarHBondContact O-N 3.43Å; M103-L106 PolarHBondContact O-N 2.77Å; M103-L106 HydrophobicContact SD-CD1 3.89Å; L106-L109 PolarHBondContact O-N 2.79Å; L106-T110 WeakPolarHBondContact O-CB 3.39Å; L106-T110 PolarHBondContact O-N 3.04Å; L106-T110 PolarHBondContact O-OG1 3.31Å; L106-L124 HydrophobicContact CD2-CD2 3.89Å; L106-Y131 HydrophobicContact CD1-CD2 4.17Å; L106-Y131 HydrophobicContact CD1-CE2 4.12Å |
| 107 | F | 85.4 | Confident | 81.3 | Confident | 46 Ų | 46 | 40.2 Ų | 40.2 | 20% | 0.202 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 172.1 | 173.2 | -106.1 | 0 | 0 | 0 | 111.3 | S64 F65 V68 M103 I104 F105 L109 T110 V111 | S64-F107 WeakPolarHBondContact OG-CD2 3.4Å; F65-F107 HydrophobicContact CB-CD2 4.26Å; F65-F107 HydrophobicContact CB-CE2 3.74Å; F65-F107 HydrophobicContact CB-CZ 4.22Å; F65-F107 HydrophobicContact CD2-CE1 4.31Å; F65-F107 HydrophobicContact CD2-CE2 4.27Å; F65-F107 AromaticContact CD2-CZ 3.94Å; F65-F107 HydrophobicContact CD2-CZ 3.94Å; F65-F107 HydrophobicContact CG-CE2 4.47Å; V68-F107 HydrophobicContact CG2-CB 3.65Å; V68-F107 HydrophobicContact CG2-CG 4.14Å; M103-F107 WeakPolarHBondContact O-CB 3.49Å; M103-F107 PolarHBondContact O-N 3.43Å; I104-F107 PolarHBondContact O-N 2.92Å; F105-F107 PolarHBondContact O-N 2.96Å; F107-L109 VanDerWaalsContact C-N 3.33Å; F107-L109 PolarHBondContact O-N 3.49Å; F107-T110 WeakPolarHBondContact O-CB 3.46Å; F107-T110 PolarHBondContact O-N 3.12Å; F107-T110 VanDerWaalsContact O-N 3.16Å; F107-V111 HydrophobicContact CD1-CG2 4.49Å; F107-V111 HydrophobicContact CD2-CG2 4.41Å; F107-V111 HydrophobicContact CE1-CG2 4.08Å; F107-V111 HydrophobicContact CE2-CG2 3.99Å; F107-V111 HydrophobicContact CZ-CG2 3.82Å; F107-V111 WeakPolarHBondContact O-CG2 3.49Å; F107-V111 PolarHBondContact O-N 3.21Å |
| 108 | L | 83.9 | Confident | 80.9 | Confident | 91 Ų | 91 | 38.4 Ų | 38.4 | 48% | 0.476 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.1 | -41.6 | 178 | -72.7 | 172.5 | 0 | 0 | 0 | 112.2 | I104 F105 V111 L112 | I104-L108 HydrophobicContact CG2-CD1 4.07Å; I104-L108 VanDerWaalsContact O-CG 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.27Å; I104-L108 PolarHBondContact O-N 3.33Å; F105-L108 PolarHBondContact O-N 3.33Å; L108-V111 PolarHBondContact O-N 3.2Å; L108-L112 WeakPolarHBondContact O-CB 3.09Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.02Å; L108-L112 PolarHBondContact O-N 3.34Å |
| 109 | L | 83.1 | Confident | 80.2 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.1 | -74.2 | 164.9 | 0 | 0 | 0 | 112.1 | S36 L39 C40 F105 L106 F107 V111 L112 C113 L124 | S36-L109 VanDerWaalsContact CB-CD1 3.41Å; L39-L109 HydrophobicContact CB-CD2 4.37Å; C40-L109 VanDerWaalsContact SG-CD2 3.53Å; F105-L109 HydrophobicContact CD1-CD1 3.79Å; F105-L109 HydrophobicContact CE1-CD1 3.66Å; F105-L109 HydrophobicContact CE1-CG 4.49Å; F105-L109 HydrophobicContact CG-CD1 4.41Å; F105-L109 HydrophobicContact CZ-CD1 4.11Å; F105-L109 WeakPolarHBondContact O-CG 3.4Å; F105-L109 PolarHBondContact O-N 3.47Å; L106-L109 PolarHBondContact O-N 2.79Å; F107-L109 VanDerWaalsContact C-N 3.33Å; F107-L109 PolarHBondContact O-N 3.49Å; L109-V111 VanDerWaalsContact C-N 3.33Å; L109-V111 PolarHBondContact O-N 2.85Å; L109-L112 PolarHBondContact O-N 3.48Å; L109-C113 WeakPolarHBondContact O-CB 3.28Å; L109-C113 PolarHBondContact O-N 3.19Å; L109-C113 PolarHBondContact O-SG 2.79Å; L109-L124 HydrophobicContact CB-CD2 3.99Å |
| 110 | T | 80.9 | Confident | 79.3 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | L61 L106 F107 S114 | L61-T110 HydrophobicContact CD2-CG2 3.9Å; L106-T110 WeakPolarHBondContact O-CB 3.39Å; L106-T110 PolarHBondContact O-N 3.04Å; L106-T110 PolarHBondContact O-OG1 3.31Å; F107-T110 WeakPolarHBondContact O-CB 3.46Å; F107-T110 PolarHBondContact O-N 3.12Å; F107-T110 VanDerWaalsContact O-N 3.16Å; T110-S114 WeakPolarHBondContact O-CB 3.4Å; T110-S114 PolarHBondContact O-N 2.78Å; T110-S114 PolarHBondContact O-OG 2.74Å |
| 111 | V | 79.8 | Confident | 78.6 | Confident | 32 Ų | 32 | 43 Ų | 43 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 173.7 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | L61 F107 L108 L109 S114 R115 | L61-V111 HydrophobicContact CD2-CG2 3.79Å; F107-V111 HydrophobicContact CD1-CG2 4.49Å; F107-V111 HydrophobicContact CD2-CG2 4.41Å; F107-V111 HydrophobicContact CE1-CG2 4.08Å; F107-V111 HydrophobicContact CE2-CG2 3.99Å; F107-V111 HydrophobicContact CZ-CG2 3.82Å; F107-V111 WeakPolarHBondContact O-CG2 3.49Å; F107-V111 PolarHBondContact O-N 3.21Å; L108-V111 PolarHBondContact O-N 3.2Å; L109-V111 VanDerWaalsContact C-N 3.33Å; L109-V111 PolarHBondContact O-N 2.85Å; V111-S114 WeakPolarHBondContact CA-OG 3.49Å; V111-S114 PolarHBondContact O-OG 2.95Å; V111-R115 WeakPolarHBondContact O-CB 3.14Å; V111-R115 VanDerWaalsContact O-CG 3.29Å; V111-R115 WeakPolarHBondContact O-CG 3.13Å; V111-R115 PolarHBondContact O-N 3.07Å; V111-R115 VanDerWaalsContact O-N 3.12Å |
| 112 | L | 80.6 | Confident | 78.2 | Confident | 78 Ų | 78 | 40.6 Ų | 40.6 | 41% | 0.408 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.9 | -44.8 | 177.4 | -75 | 168 | 0 | 0 | 0 | 112.1 | L108 L109 R115 R116 | L108-L112 WeakPolarHBondContact O-CB 3.09Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.02Å; L108-L112 PolarHBondContact O-N 3.34Å; L109-L112 PolarHBondContact O-N 3.48Å; L112-R115 PolarHBondContact O-N 2.96Å; L112-R116 WeakPolarHBondContact O-CB 3.35Å; L112-R116 WeakPolarHBondContact O-CG 3.46Å; L112-R116 PolarHBondContact O-N 3.22Å |
| 113 | C | 78.8 | Confident | 77.9 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 178.6 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | L109 R115 R116 G117 I118 | L109-C113 WeakPolarHBondContact O-CB 3.28Å; L109-C113 PolarHBondContact O-N 3.19Å; L109-C113 PolarHBondContact O-SG 2.79Å; C113-R115 VanDerWaalsContact C-N 3.32Å; C113-R115 PolarHBondContact O-N 3Å; C113-R116 PolarHBondContact O-N 2.87Å; C113-G117 PolarHBondContact O-N 3.38Å; C113-I118 HydrophobicContact CB-CB 4.12Å; C113-I118 PolarHBondContact O-N 2.94Å |
| 114 | S | 77 | Confident | 77.6 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -40.1 | 176 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | P50 L51 T110 V111 | P50-S114 VanDerWaalsContact CA-O 3.31Å; P50-S114 WeakPolarHBondContact CA-O 3.34Å; L51-S114 PolarHBondContact N-O 3.01Å; T110-S114 WeakPolarHBondContact O-CB 3.4Å; T110-S114 PolarHBondContact O-N 2.78Å; T110-S114 PolarHBondContact O-OG 2.74Å; V111-S114 WeakPolarHBondContact CA-OG 3.49Å; V111-S114 PolarHBondContact O-OG 2.95Å |
| 115 | R | 71.3 | Confident | 77.7 | Confident | 115 Ų | 115 | 43.3 Ų | 43.3 | 43% | 0.434 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.4 | -32.2 | 176.1 | -77.7 | -177.2 | 176 | -169.8 | 0.9 | 114.5 | P50 V111 L112 C113 S220 | P50-R115 WeakPolarHBondContact CA-O 3.34Å; V111-R115 WeakPolarHBondContact O-CB 3.14Å; V111-R115 VanDerWaalsContact O-CG 3.29Å; V111-R115 WeakPolarHBondContact O-CG 3.13Å; V111-R115 PolarHBondContact O-N 3.07Å; V111-R115 VanDerWaalsContact O-N 3.12Å; L112-R115 PolarHBondContact O-N 2.96Å; C113-R115 VanDerWaalsContact C-N 3.32Å; C113-R115 PolarHBondContact O-N 3Å; R115-S220 PolarHBondContact NH2-OG 2.94Å |
| 116 | R | 73.7 | Confident | 77.8 | Confident | 94 Ų | 94 | 44.1 Ų | 44.1 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -95.9 | 1.3 | -176.6 | -66.9 | -69 | -172.2 | 144.6 | 0.6 | 113.7 | A43 R46 L112 C113 | A43-R116 HydrophobicContact CB-CB 4.4Å; A43-R116 HydrophobicContact CB-CG 4.22Å; A43-R116 WeakPolarHBondContact O-CD 3.43Å; A43-R116 WeakPolarHBondContact O-CG 3.17Å; R46-R116 WeakPolarHBondContact O-CD 3.36Å; R46-R116 PolarHBondContact O-NH1 2.84Å; L112-R116 WeakPolarHBondContact O-CB 3.35Å; L112-R116 WeakPolarHBondContact O-CG 3.46Å; L112-R116 PolarHBondContact O-N 3.22Å; C113-R116 PolarHBondContact O-N 2.87Å |
| 117 | G | 69.5 | Low | 77.8 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 30 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | N49 C113 | N49-G117 WeakPolarHBondContact O-CA 3.36Å; N49-G117 PolarHBondContact O-N 2.91Å; C113-G117 PolarHBondContact O-N 3.38Å |
| 118 | I | 72.8 | Confident | 77.8 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | trans | -91.7 | 109.6 | 175.9 | -61.1 | 176.4 | 0 | 0 | 0 | 107.7 | E42 A43 L51 C113 | E42-I118 HydrophobicContact CB-CD1 4.45Å; E42-I118 HydrophobicContact CG-CD1 4.43Å; A43-I118 HydrophobicContact CB-CD1 3.89Å; L51-I118 VanDerWaalsContact CD1-O 3.3Å; L51-I118 WeakPolarHBondContact CD1-O 3.42Å; C113-I118 HydrophobicContact CB-CB 4.12Å; C113-I118 PolarHBondContact O-N 2.94Å | ||
| 119 | I | 68.4 | Low | 78 | Confident | 71 Ų | 71 | 38.9 Ų | 38.9 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | trans | -68.8 | 127.3 | 174.8 | -54.4 | 164.1 | 0 | 0 | 0 | 107.9 | L51 S121 D176 I178 | L51-I119 HydrophobicContact CD2-CG1 3.83Å; I119-S121 PolarHBondContact O-N 3.35Å; I119-D176 HydrophobicContact CG2-CB 4.29Å; I119-I178 HydrophobicContact CD1-CD1 3.54Å; I119-I178 HydrophobicContact CD1-CG1 4.01Å; I119-I178 HydrophobicContact CG1-CD1 4.44Å | ||
| 120 | T | 63.1 | Low | 78.3 | Confident | 53 Ų | 53 | 40.8 Ų | 40.8 | 33% | 0.325 | 22% | 0.223 | S | C | . | . | trans | 15.9 | 86.9 | 170.6 | 49.8 | 0 | 0 | 0 | 0 | 115.3 | G122 | T120-G122 PolarHBondContact O-N 2.9Š| ||
| 121 | S | 68.4 | Low | 78.6 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 12% | 0.119 | 22% | 0.22 | C | C | . | . | trans | -68.8 | 128.8 | 175.3 | 57.9 | 0 | 0 | 0 | 0 | 110.5 | L39 I119 S123 L124 F125 | L39-S121 WeakPolarHBondContact CD2-OG 3.1Å; I119-S121 PolarHBondContact O-N 3.35Å; S121-S123 WeakPolarHBondContact CB-OG 3.18Å; S121-S123 PolarHBondContact O-N 3.42Å; S121-S123 PolarHBondContact OG-OG 3.23Å; S121-L124 PolarHBondContact O-N 3.14Å; S121-L124 WeakPolarHBondContact OG-CD1 3.31Å; S121-L124 VanDerWaalsContact OG-CG 3.3Å; S121-L124 WeakPolarHBondContact OG-CG 3.46Å; S121-F125 PolarHBondContact O-N 2.87Å | ||
| 122 | G | 76.9 | Confident | 79 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 50% | 0.495 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -53.9 | -27.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T120 F125 L126 | T120-G122 PolarHBondContact O-N 2.9Å; G122-F125 PolarHBondContact O-N 3.47Å; G122-L126 WeakPolarHBondContact O-CB 3.37Å; G122-L126 WeakPolarHBondContact O-CD1 3.47Å; G122-L126 VanDerWaalsContact O-CG 3.23Å; G122-L126 WeakPolarHBondContact O-CG 3.46Å; G122-L126 PolarHBondContact O-N 3.08Å |
| 123 | S | 80 | Confident | 79.3 | Confident | 24 Ų | 24 | 40.1 Ų | 40.1 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 173.5 | 40.6 | 0 | 0 | 0 | 0 | 114.1 | L39 S121 F125 L126 S127 | L39-S123 WeakPolarHBondContact CD1-OG 3.4Å; L39-S123 VanDerWaalsContact CG-OG 3.3Å; L39-S123 WeakPolarHBondContact CG-OG 3.35Å; S121-S123 WeakPolarHBondContact CB-OG 3.18Å; S121-S123 PolarHBondContact O-N 3.42Å; S121-S123 PolarHBondContact OG-OG 3.23Å; S123-F125 VanDerWaalsContact C-N 3.32Å; S123-F125 PolarHBondContact O-N 3.41Å; S123-L126 PolarHBondContact O-N 3.4Å; S123-S127 WeakPolarHBondContact O-CB 3.45Å; S123-S127 PolarHBondContact O-N 3.1Å; S123-S127 PolarHBondContact O-OG 3.49Å |
| 124 | L | 81.9 | Confident | 79.6 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -39.5 | 175.7 | -77.4 | 173.9 | 0 | 0 | 0 | 111.5 | L39 L106 L109 S121 N128 | L39-L124 HydrophobicContact CD1-CD2 4.46Å; L39-L124 HydrophobicContact CD1-CG 4.06Å; L106-L124 HydrophobicContact CD2-CD2 3.89Å; L109-L124 HydrophobicContact CB-CD2 3.99Å; S121-L124 PolarHBondContact O-N 3.14Å; S121-L124 WeakPolarHBondContact OG-CD1 3.31Å; S121-L124 VanDerWaalsContact OG-CG 3.3Å; S121-L124 WeakPolarHBondContact OG-CG 3.46Å; L124-N128 PolarHBondContact O-N 2.91Å; L124-N128 VanDerWaalsContact O-N 3.12Å; L124-N128 PolarHBondContact O-ND2 2.93Å |
| 125 | F | 86.1 | Confident | 79.9 | Confident | 81 Ų | 81 | 41.7 Ų | 41.7 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -49.1 | 175.7 | 178.2 | -94 | 0 | 0 | 0 | 111.3 | S121 G122 S123 S127 N128 A129 L169 | S121-F125 PolarHBondContact O-N 2.87Å; G122-F125 PolarHBondContact O-N 3.47Å; S123-F125 VanDerWaalsContact C-N 3.32Å; S123-F125 PolarHBondContact O-N 3.41Å; F125-S127 VanDerWaalsContact C-N 3.35Å; F125-S127 PolarHBondContact O-N 2.94Å; F125-N128 PolarHBondContact O-N 3.43Å; F125-A129 WeakPolarHBondContact O-CB 3.47Å; F125-A129 PolarHBondContact O-N 3.34Å; F125-L169 HydrophobicContact CD2-CD1 4.31Å; F125-L169 HydrophobicContact CE2-CD1 3.87Å; F125-L169 HydrophobicContact CZ-CD1 4.23Å |
| 126 | L | 86.7 | Confident | 80.5 | Confident | 90 Ų | 90 | 38.2 Ų | 38.2 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 178.7 | -74.8 | 165.9 | 0 | 0 | 0 | 112.3 | F31 G122 S123 A129 L130 | F31-L126 HydrophobicContact CE1-CB 3.74Å; F31-L126 HydrophobicContact CZ-CB 3.83Å; F31-L126 HydrophobicContact CZ-CD1 4.27Å; G122-L126 WeakPolarHBondContact O-CB 3.37Å; G122-L126 WeakPolarHBondContact O-CD1 3.47Å; G122-L126 VanDerWaalsContact O-CG 3.23Å; G122-L126 WeakPolarHBondContact O-CG 3.46Å; G122-L126 PolarHBondContact O-N 3.08Å; S123-L126 PolarHBondContact O-N 3.4Å; L126-A129 PolarHBondContact O-N 3.04Å; L126-L130 WeakPolarHBondContact O-CB 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.47Å; L126-L130 PolarHBondContact O-N 3.45Å |
| 127 | S | 86.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.8 | -50.2 | 174.1 | -80.4 | 0 | 0 | 0 | 0 | 111.8 | S32 S35 S123 F125 A129 L130 Y131 | S32-S127 WeakPolarHBondContact CA-OG 3.4Å; S32-S127 WeakPolarHBondContact OG-CB 3.32Å; S32-S127 PolarHBondContact OG-OG 3.35Å; S35-S127 PolarHBondContact OG-OG 2.81Å; S123-S127 WeakPolarHBondContact O-CB 3.45Å; S123-S127 PolarHBondContact O-N 3.1Å; S123-S127 PolarHBondContact O-OG 3.49Å; F125-S127 VanDerWaalsContact C-N 3.35Å; F125-S127 PolarHBondContact O-N 2.94Å; S127-A129 VanDerWaalsContact C-N 3.31Å; S127-A129 PolarHBondContact O-N 2.91Å; S127-L130 PolarHBondContact O-N 3.42Å; S127-Y131 WeakPolarHBondContact O-CD2 3.16Å; S127-Y131 PolarHBondContact O-N 3.29Å |
| 128 | N | 84.7 | Confident | 81 | Confident | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 177.9 | -70.6 | -24.5 | 0 | 0 | 0 | 112.1 | L124 F125 C132 L169 | L124-N128 PolarHBondContact O-N 2.91Å; L124-N128 VanDerWaalsContact O-N 3.12Å; L124-N128 PolarHBondContact O-ND2 2.93Å; F125-N128 PolarHBondContact O-N 3.43Å; N128-C132 WeakPolarHBondContact O-CB 3.3Å; N128-C132 PolarHBondContact O-N 2.77Å; N128-L169 HydrophobicContact CB-CD1 4.38Å |
| 129 | A | 88.2 | Confident | 81.5 | Confident | 23 Ų | 23 | 40 Ų | 40 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F125 L126 S127 C132 V133 L169 | F125-A129 WeakPolarHBondContact O-CB 3.47Å; F125-A129 PolarHBondContact O-N 3.34Å; L126-A129 PolarHBondContact O-N 3.04Å; S127-A129 VanDerWaalsContact C-N 3.31Å; S127-A129 PolarHBondContact O-N 2.91Å; A129-C132 PolarHBondContact O-N 3.45Å; A129-V133 VanDerWaalsContact O-CG2 3.32Å; A129-V133 WeakPolarHBondContact O-CG2 3.44Å; A129-V133 PolarHBondContact O-N 3.19Å; A129-L169 HydrophobicContact CB-CD1 3.91Å |
| 130 | L | 88.7 | Confident | 82 | Confident | 45 Ų | 45 | 39.1 Ų | 39.1 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 175.9 | -77.9 | 163.9 | 0 | 0 | 0 | 111.1 | P28 F31 L126 S127 C132 V133 F134 | P28-L130 HydrophobicContact CB-CB 4.31Å; F31-L130 HydrophobicContact CB-CD1 3.84Å; F31-L130 HydrophobicContact CD1-CD1 3.24Å; F31-L130 HydrophobicContact CD2-CD1 3.82Å; F31-L130 HydrophobicContact CE1-CD1 3.64Å; F31-L130 HydrophobicContact CE2-CD1 4.17Å; F31-L130 HydrophobicContact CG-CD1 3.33Å; F31-L130 HydrophobicContact CZ-CD1 4.09Å; L126-L130 WeakPolarHBondContact O-CB 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.47Å; L126-L130 PolarHBondContact O-N 3.45Å; S127-L130 PolarHBondContact O-N 3.42Å; L130-C132 VanDerWaalsContact C-N 3.32Å; L130-C132 PolarHBondContact O-N 3.48Å; L130-V133 PolarHBondContact O-N 3.13Å; L130-F134 HydrophobicContact CD2-CD2 4.26Å; L130-F134 HydrophobicContact CD2-CE2 3.74Å; L130-F134 VanDerWaalsContact O-CD2 3.3Å; L130-F134 WeakPolarHBondContact O-CD2 3.37Å; L130-F134 PolarHBondContact O-N 3.2Å |
| 131 | Y | 88 | Confident | 82.6 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.7 | -47.6 | 174.9 | -86.8 | -73.4 | 0 | 0 | 0 | 111.7 | P28 F29 S32 N99 A102 M103 L106 S127 V133 F134 E135 | P28-Y131 HydrophobicContact CB-CD1 3.75Å; P28-Y131 HydrophobicContact CB-CD2 3.86Å; P28-Y131 HydrophobicContact CB-CE1 3.64Å; P28-Y131 HydrophobicContact CB-CE2 3.76Å; P28-Y131 HydrophobicContact CB-CG 3.83Å; P28-Y131 HydrophobicContact CG-CD1 4.39Å; P28-Y131 HydrophobicContact CG-CE1 4.45Å; F29-Y131 WeakPolarHBondContact CA-OH 3.39Å; F29-Y131 WeakPolarHBondContact CB-OH 3.48Å; F29-Y131 PolarHBondContact N-OH 3.44Å; S32-Y131 WeakPolarHBondContact OG-CE2 3.35Å; N99-Y131 WeakPolarHBondContact OD1-CE1 3.38Å; A102-Y131 HydrophobicContact CB-CE1 4.38Å; A102-Y131 HydrophobicContact CB-CE2 4.06Å; A102-Y131 WeakPolarHBondContact CB-OH 3.45Å; M103-Y131 HydrophobicContact CE-CD1 3.73Å; M103-Y131 HydrophobicContact CE-CD2 3.93Å; M103-Y131 HydrophobicContact CE-CE1 4.17Å; M103-Y131 HydrophobicContact CE-CE2 4.35Å; M103-Y131 HydrophobicContact CE-CG 3.62Å; L106-Y131 HydrophobicContact CD1-CD2 4.17Å; L106-Y131 HydrophobicContact CD1-CE2 4.12Å; S127-Y131 WeakPolarHBondContact O-CD2 3.16Å; S127-Y131 PolarHBondContact O-N 3.29Å; Y131-V133 VanDerWaalsContact C-N 3.31Å; Y131-V133 PolarHBondContact O-N 3.2Å; Y131-F134 PolarHBondContact O-N 3.13Å; Y131-E135 WeakPolarHBondContact O-CB 3.37Å; Y131-E135 WeakPolarHBondContact O-CG 3.16Å; Y131-E135 PolarHBondContact O-N 2.56Å |
| 132 | C | 87.7 | Confident | 83 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 8% | 0.081 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -37.3 | -179.9 | -166.7 | 0 | 0 | 0 | 0 | 112.9 | N128 A129 L130 S136 L165 L169 | N128-C132 WeakPolarHBondContact O-CB 3.3Å; N128-C132 PolarHBondContact O-N 2.77Å; A129-C132 PolarHBondContact O-N 3.45Å; L130-C132 VanDerWaalsContact C-N 3.32Å; L130-C132 PolarHBondContact O-N 3.48Å; C132-S136 WeakPolarHBondContact O-CB 3.42Å; C132-S136 PolarHBondContact O-N 3.19Å; C132-L165 HydrophobicContact CB-CD2 4.29Å; C132-L165 HydrophobicContact CB-CG 4.46Å; C132-L169 HydrophobicContact CB-CD2 4.03Å |
| 133 | V | 87.2 | Confident | 83.2 | Confident | 94 Ų | 94 | 37.9 Ų | 37.9 | 57% | 0.57 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -72.3 | -51.6 | -179.7 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | A129 L130 Y131 S136 | A129-V133 VanDerWaalsContact O-CG2 3.32Å; A129-V133 WeakPolarHBondContact O-CG2 3.44Å; A129-V133 PolarHBondContact O-N 3.19Å; L130-V133 PolarHBondContact O-N 3.13Å; Y131-V133 VanDerWaalsContact C-N 3.31Å; Y131-V133 PolarHBondContact O-N 3.2Å; V133-S136 WeakPolarHBondContact O-CB 3.24Å; V133-S136 PolarHBondContact O-N 3.09Å; V133-S136 PolarHBondContact O-OG 2.86Å |
| 134 | F | 85.4 | Confident | 83.1 | Confident | 52 Ų | 52 | 40.7 Ų | 40.7 | 23% | 0.228 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.2 | -43.1 | -176.6 | -79.7 | -91.3 | 0 | 0 | 0 | 111.1 | L24 I27 P28 L130 Y131 S136 L137 | L24-F134 HydrophobicContact CD2-CB 4.07Å; L24-F134 HydrophobicContact CD2-CD1 3.8Å; L24-F134 HydrophobicContact CD2-CG 4.43Å; L24-F134 VanDerWaalsContact CD2-O 3.24Å; L24-F134 WeakPolarHBondContact CD2-O 3.09Å; I27-F134 HydrophobicContact CB-CE1 4.32Å; I27-F134 HydrophobicContact CB-CZ 4.26Å; I27-F134 HydrophobicContact CD1-CE1 3.9Å; I27-F134 HydrophobicContact CD1-CZ 4.2Å; I27-F134 HydrophobicContact CG2-CE1 4.34Å; I27-F134 HydrophobicContact CG2-CE2 4.13Å; I27-F134 HydrophobicContact CG2-CZ 3.79Å; P28-F134 HydrophobicContact CG-CB 3.83Å; P28-F134 HydrophobicContact CG-CD2 3.83Å; P28-F134 HydrophobicContact CG-CG 3.86Å; L130-F134 HydrophobicContact CD2-CD2 4.26Å; L130-F134 HydrophobicContact CD2-CE2 3.74Å; L130-F134 VanDerWaalsContact O-CD2 3.3Å; L130-F134 WeakPolarHBondContact O-CD2 3.37Å; L130-F134 PolarHBondContact O-N 3.2Å; Y131-F134 PolarHBondContact O-N 3.13Å; F134-S136 PolarHBondContact O-N 3.33Å; F134-L137 PolarHBondContact O-N 3.21Å |
| 135 | E | 82.7 | Confident | 82.9 | Confident | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.7 | -12.5 | -180 | -68.9 | -175.4 | 170.2 | 0 | 0 | 114.2 | N99 Y131 L137 E138 F139 Y158 Y161 Y162 L165 | N99-E135 PolarHBondContact ND2-OE1 2.89Å; Y131-E135 WeakPolarHBondContact O-CB 3.37Å; Y131-E135 WeakPolarHBondContact O-CG 3.16Å; Y131-E135 PolarHBondContact O-N 2.56Å; E135-L137 PolarHBondContact O-N 3.24Å; E135-E138 PolarHBondContact O-N 3.04Å; E135-F139 PolarHBondContact O-N 3.47Å; E135-Y158 WeakPolarHBondContact CB-OH 3.43Å; E135-Y158 PolarHBondContact O-OH 3.5Å; E135-Y161 VanDerWaalsContact CD-OH 3.31Å; E135-Y161 PolarHBondContact OE1-OH 3.21Å; E135-Y161 WeakPolarHBondContact OE2-CE1 3.24Å; E135-Y161 PolarHBondContact OE2-OH 2.94Å; E135-Y161 VanDerWaalsContact OE2-OH 3.09Å; E135-Y162 HydrophobicContact CB-CD2 4.18Å; E135-Y162 HydrophobicContact CB-CE2 4.3Å; E135-L165 VanDerWaalsContact OE2-CD2 3.25Å; E135-L165 WeakPolarHBondContact OE2-CD2 3.5Å |
| 136 | S | 83.9 | Confident | 82.6 | Confident | 43 Ų | 43 | 43.3 Ų | 43.3 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.8 | -28.8 | 176.2 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | C132 V133 F134 F139 S140 Y162 | C132-S136 WeakPolarHBondContact O-CB 3.42Å; C132-S136 PolarHBondContact O-N 3.19Å; V133-S136 WeakPolarHBondContact O-CB 3.24Å; V133-S136 PolarHBondContact O-N 3.09Å; V133-S136 PolarHBondContact O-OG 2.86Å; F134-S136 PolarHBondContact O-N 3.33Å; S136-F139 PolarHBondContact O-N 3.43Å; S136-S140 PolarHBondContact O-N 3.34Å; S136-Y162 VanDerWaalsContact CB-OH 3.27Å; S136-Y162 WeakPolarHBondContact CB-OH 3.25Å |
| 137 | L | 78.7 | Confident | 82.3 | Confident | 79 Ų | 79 | 45.5 Ų | 45.5 | 41% | 0.414 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.8 | -46.6 | 176.8 | -71.5 | 166.2 | 0 | 0 | 0 | 110.8 | L24 F134 E135 S140 A141 | L24-L137 HydrophobicContact CD1-CB 4.36Å; L24-L137 HydrophobicContact CD2-CB 4.45Å; L24-L137 HydrophobicContact CD2-CD1 3.7Å; F134-L137 PolarHBondContact O-N 3.21Å; E135-L137 PolarHBondContact O-N 3.24Å; L137-S140 WeakPolarHBondContact O-CB 3.34Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-A141 PolarHBondContact O-N 2.88Å |
| 138 | E | 75.3 | Confident | 81.9 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.5 | -34.4 | 176.1 | -175.7 | 178.4 | 177.4 | 0 | 0 | 111.9 | Y96 E135 S140 A141 T142 Y158 | Y96-E138 WeakPolarHBondContact CE1-OE1 3.41Å; Y96-E138 VanDerWaalsContact CZ-OE1 3.27Å; Y96-E138 PolarHBondContact OH-OE1 3.2Å; E135-E138 PolarHBondContact O-N 3.04Å; E138-S140 VanDerWaalsContact C-N 3.33Å; E138-S140 PolarHBondContact O-N 2.96Å; E138-A141 PolarHBondContact O-N 3Å; E138-T142 WeakPolarHBondContact O-CB 3.41Å; E138-T142 PolarHBondContact O-N 3.46Å; E138-T142 PolarHBondContact O-OG1 2.88Å; E138-Y158 HydrophobicContact CB-CE1 4.2Å; E138-Y158 WeakPolarHBondContact CB-OH 3.5Å; E138-Y158 VanDerWaalsContact CD-CZ 3.49Å; E138-Y158 HydrophobicContact CG-CE1 3.84Å; E138-Y158 HydrophobicContact CG-CE2 4.26Å; E138-Y158 PolarHBondContact OE2-OH 2.82Å |
| 139 | F | 82.5 | Confident | 81.5 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 171.9 | -177.3 | -104.9 | 0 | 0 | 0 | 111.7 | E135 S136 A141 T142 V143 Y158 A159 Y162 | E135-F139 PolarHBondContact O-N 3.47Å; S136-F139 PolarHBondContact O-N 3.43Å; F139-A141 VanDerWaalsContact C-N 3.34Å; F139-A141 PolarHBondContact O-N 3.39Å; F139-T142 WeakPolarHBondContact O-CB 3.38Å; F139-T142 PolarHBondContact O-N 3.03Å; F139-T142 VanDerWaalsContact O-N 3.14Å; F139-V143 HydrophobicContact CD1-CG2 3.98Å; F139-V143 HydrophobicContact CD2-CG2 4.49Å; F139-V143 HydrophobicContact CE1-CG2 3.55Å; F139-V143 HydrophobicContact CE2-CG2 4.11Å; F139-V143 HydrophobicContact CG-CG2 4.44Å; F139-V143 HydrophobicContact CZ-CG2 3.63Å; F139-V143 WeakPolarHBondContact O-CG2 3.4Å; F139-V143 PolarHBondContact O-N 2.94Å; F139-Y158 HydrophobicContact CB-CE1 4.22Å; F139-A159 HydrophobicContact CE2-CB 4.17Å; F139-Y162 HydrophobicContact CB-CD1 3.87Å; F139-Y162 HydrophobicContact CB-CD2 4.01Å; F139-Y162 HydrophobicContact CB-CE1 4.02Å; F139-Y162 HydrophobicContact CB-CE2 4.16Å; F139-Y162 HydrophobicContact CB-CG 3.85Å; F139-Y162 AromaticContact CD1-CD1 3.65Å; F139-Y162 HydrophobicContact CD1-CD1 3.65Å; F139-Y162 AromaticContact CD1-CE1 3.52Å; F139-Y162 HydrophobicContact CD1-CE1 3.52Å; F139-Y162 HydrophobicContact CD1-CG 4.48Å; F139-Y162 AromaticContact CD2-CD1 3.36Å; F139-Y162 HydrophobicContact CD2-CD1 3.36Å; F139-Y162 HydrophobicContact CD2-CE1 4.13Å; F139-Y162 AromaticContact CD2-CG 3.65Å; F139-Y162 HydrophobicContact CD2-CG 3.65Å; F139-Y162 AromaticContact CE1-CD1 3.97Å; F139-Y162 HydrophobicContact CE1-CD1 3.97Å; F139-Y162 AromaticContact CE1-CE1 3.96Å; F139-Y162 HydrophobicContact CE1-CE1 3.96Å; F139-Y162 AromaticContact CE2-CD1 3.71Å; F139-Y162 HydrophobicContact CE2-CD1 3.71Å; F139-Y162 HydrophobicContact CE2-CG 4.32Å; F139-Y162 AromaticContact CG-CD1 3.32Å; F139-Y162 HydrophobicContact CG-CD1 3.32Å; F139-Y162 HydrophobicContact CG-CD2 4.36Å; F139-Y162 AromaticContact CG-CE1 3.61Å; F139-Y162 HydrophobicContact CG-CE1 3.61Å; F139-Y162 AromaticContact CG-CG 3.74Å; F139-Y162 HydrophobicContact CG-CG 3.74Å; F139-Y162 AromaticContact CZ-CD1 4Å; F139-Y162 HydrophobicContact CZ-CD1 4Å; F139-Y162 HydrophobicContact CZ-CE1 4.43Å |
| 140 | S | 80.9 | Confident | 80.5 | Confident | 52 Ų | 52 | 63.3 Ų | 63.3 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.7 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | S136 L137 E138 T142 V143 R144 | S136-S140 PolarHBondContact O-N 3.34Å; L137-S140 WeakPolarHBondContact O-CB 3.34Å; L137-S140 PolarHBondContact O-N 2.92Å; E138-S140 VanDerWaalsContact C-N 3.33Å; E138-S140 PolarHBondContact O-N 2.96Å; S140-T142 VanDerWaalsContact C-N 3.31Å; S140-T142 PolarHBondContact O-N 3.29Å; S140-V143 PolarHBondContact O-N 3.43Å; S140-R144 WeakPolarHBondContact O-CG 3.32Å; S140-R144 PolarHBondContact O-N 3.34Å |
| 141 | A | 74.5 | Confident | 79.8 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L137 E138 F139 R144 R145 | L137-A141 PolarHBondContact O-N 2.88Å; E138-A141 PolarHBondContact O-N 3Å; F139-A141 VanDerWaalsContact C-N 3.34Å; F139-A141 PolarHBondContact O-N 3.39Å; A141-R144 PolarHBondContact O-N 3.37Å; A141-R145 PolarHBondContact O-N 3.23Å; A141-R145 VanDerWaalsContact O-N 3.12Å |
| 142 | T | 77 | Confident | 79 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 177.5 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | E138 F139 S140 R144 R145 F146 D155 Y158 | E138-T142 WeakPolarHBondContact O-CB 3.41Å; E138-T142 PolarHBondContact O-N 3.46Å; E138-T142 PolarHBondContact O-OG1 2.88Å; F139-T142 WeakPolarHBondContact O-CB 3.38Å; F139-T142 PolarHBondContact O-N 3.03Å; F139-T142 VanDerWaalsContact O-N 3.14Å; S140-T142 VanDerWaalsContact C-N 3.31Å; S140-T142 PolarHBondContact O-N 3.29Å; T142-R144 VanDerWaalsContact C-N 3.33Å; T142-R144 PolarHBondContact O-N 3.07Å; T142-R145 WeakPolarHBondContact O-CB 3.4Å; T142-R145 PolarHBondContact O-N 3.29Å; T142-R145 PolarHBondContact OG1-NH2 3.29Å; T142-F146 HydrophobicContact CG2-CD2 4.14Å; T142-F146 HydrophobicContact CG2-CE2 3.79Å; T142-F146 VanDerWaalsContact O-CD2 3.25Å; T142-F146 WeakPolarHBondContact O-CD2 3.26Å; T142-F146 PolarHBondContact O-N 3.26Å; T142-D155 HydrophobicContact CG2-CB 3.73Å; T142-Y158 HydrophobicContact CG2-CD1 4.41Å |
| 143 | V | 81.3 | Confident | 78.4 | Confident | 53 Ų | 53 | 75 Ų | 75 | 32% | 0.321 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 174.4 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | F139 S140 F146 N147 | F139-V143 HydrophobicContact CD1-CG2 3.98Å; F139-V143 HydrophobicContact CD2-CG2 4.49Å; F139-V143 HydrophobicContact CE1-CG2 3.55Å; F139-V143 HydrophobicContact CE2-CG2 4.11Å; F139-V143 HydrophobicContact CG-CG2 4.44Å; F139-V143 HydrophobicContact CZ-CG2 3.63Å; F139-V143 WeakPolarHBondContact O-CG2 3.4Å; F139-V143 PolarHBondContact O-N 2.94Å; S140-V143 PolarHBondContact O-N 3.43Å; V143-F146 WeakPolarHBondContact O-CB 3.31Å; V143-F146 PolarHBondContact O-N 2.76Å; V143-N147 PolarHBondContact O-N 2.69Å |
| 144 | R | 77.6 | Confident | 77.9 | Confident | 83 Ų | 83 | 71.1 Ų | 71.1 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 172.2 | -75.3 | 175.3 | 174.5 | -160 | -12.5 | 111.5 | D5 I7 S140 A141 T142 F146 N147 Y148 | D5-R144 PolarHBondContact O-NH1 2.72Å; I7-R144 VanDerWaalsContact CD1-NH2 3.28Å; S140-R144 WeakPolarHBondContact O-CG 3.32Å; S140-R144 PolarHBondContact O-N 3.34Å; A141-R144 PolarHBondContact O-N 3.37Å; T142-R144 VanDerWaalsContact C-N 3.33Å; T142-R144 PolarHBondContact O-N 3.07Å; R144-F146 VanDerWaalsContact C-N 3.32Å; R144-F146 PolarHBondContact O-N 2.94Å; R144-N147 PolarHBondContact O-N 3.39Å; R144-N147 VanDerWaalsContact O-N 3.12Å; R144-Y148 HydrophobicContact CB-CE2 4.48Å; R144-Y148 WeakPolarHBondContact O-CD2 3.42Å; R144-Y148 PolarHBondContact O-N 3.39Å; R144-Y148 VanDerWaalsContact O-N 3.07Å |
| 145 | R | 77.3 | Confident | 77.6 | Confident | 91 Ų | 91 | 69 Ų | 69 | 34% | 0.343 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 176 | -74.2 | -177.2 | -80.8 | -174.9 | 0 | 112.9 | A141 T142 Y148 G149 R150 D155 | A141-R145 PolarHBondContact O-N 3.23Å; A141-R145 VanDerWaalsContact O-N 3.12Å; T142-R145 WeakPolarHBondContact O-CB 3.4Å; T142-R145 PolarHBondContact O-N 3.29Å; T142-R145 PolarHBondContact OG1-NH2 3.29Å; R145-Y148 PolarHBondContact O-N 3.14Å; R145-G149 PolarHBondContact O-N 3.23Å; R145-R150 PolarHBondContact O-N 3.14Å; R145-R150 VanDerWaalsContact O-N 3.11Å; R145-D155 IonicContact CZ-OD1 3.06Å; R145-D155 IonicContact NE-OD1 3.5Å; R145-D155 IonicContact NH1-OD1 3.21Å; R145-D155 PolarHBondContact NH1-OD1 2.76Å; R145-D155 IonicContact NH2-OD1 2.78Å; R145-D155 PolarHBondContact NH2-OD1 2.91Å |
| 146 | F | 80.5 | Confident | 77.6 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 171.4 | -81.3 | -64 | 0 | 0 | 0 | 112.5 | T142 V143 R144 Y148 G149 W151 D155 V156 A159 | T142-F146 HydrophobicContact CG2-CD2 4.14Å; T142-F146 HydrophobicContact CG2-CE2 3.79Å; T142-F146 VanDerWaalsContact O-CD2 3.25Å; T142-F146 WeakPolarHBondContact O-CD2 3.26Å; T142-F146 PolarHBondContact O-N 3.26Å; V143-F146 WeakPolarHBondContact O-CB 3.31Å; V143-F146 PolarHBondContact O-N 2.76Å; R144-F146 VanDerWaalsContact C-N 3.32Å; R144-F146 PolarHBondContact O-N 2.94Å; F146-Y148 VanDerWaalsContact C-N 3.28Å; F146-Y148 PolarHBondContact O-N 2.85Å; F146-G149 PolarHBondContact O-N 2.83Å; F146-W151 HydrophobicContact CD1-CB 3.61Å; F146-W151 AromaticContact CD1-CD1 3.74Å; F146-W151 HydrophobicContact CD1-CD2 4.4Å; F146-W151 AromaticContact CD1-CG 3.63Å; F146-W151 HydrophobicContact CD1-CG 3.63Å; F146-W151 HydrophobicContact CE1-CB 3.51Å; F146-W151 AromaticContact CE1-CD2 3.96Å; F146-W151 HydrophobicContact CE1-CD2 3.96Å; F146-W151 HydrophobicContact CE1-CE3 4.41Å; F146-W151 AromaticContact CE1-CG 3.55Å; F146-W151 HydrophobicContact CE1-CG 3.55Å; F146-W151 HydrophobicContact CG-CB 4.35Å; F146-W151 HydrophobicContact CZ-CB 4.19Å; F146-D155 HydrophobicContact CE2-CB 4.19Å; F146-D155 HydrophobicContact CZ-CB 4.12Å; F146-V156 HydrophobicContact CE1-CG2 3.96Å; F146-V156 HydrophobicContact CZ-CB 4.42Å; F146-V156 HydrophobicContact CZ-CG2 3.77Å; F146-A159 HydrophobicContact CE2-CB 4Å |
| 147 | N | 79.6 | Confident | 77.5 | Confident | 135 Ų | 135 | 70.1 Ų | 70.1 | 72% | 0.722 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.3 | -29.8 | 178.9 | -76.3 | -15.1 | 0 | 0 | 0 | 113.3 | V143 R144 G149 | V143-N147 PolarHBondContact O-N 2.69Å; R144-N147 PolarHBondContact O-N 3.39Å; R144-N147 VanDerWaalsContact O-N 3.12Å; N147-G149 VanDerWaalsContact C-N 3.32Å |
| 148 | Y | 78.7 | Confident | 77.7 | Confident | 166 Ų | 166 | 66.5 Ų | 66.5 | 65% | 0.651 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.7 | 174.7 | -68.7 | -64.9 | 0 | 0 | 0 | 114.2 | R144 R145 F146 R150 | R144-Y148 HydrophobicContact CB-CE2 4.48Å; R144-Y148 WeakPolarHBondContact O-CD2 3.42Å; R144-Y148 PolarHBondContact O-N 3.39Å; R144-Y148 VanDerWaalsContact O-N 3.07Å; R145-Y148 PolarHBondContact O-N 3.14Å; F146-Y148 VanDerWaalsContact C-N 3.28Å; F146-Y148 PolarHBondContact O-N 2.85Å; Y148-R150 PolarHBondContact O-N 3.42Å |
| 149 | G | 74.9 | Confident | 78.2 | Confident | 55 Ų | 55 | 66.1 Ų | 66.1 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 18.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R145 F146 N147 | R145-G149 PolarHBondContact O-N 3.23Å; F146-G149 PolarHBondContact O-N 2.83Å; N147-G149 VanDerWaalsContact C-N 3.32Å |
| 150 | R | 67.9 | Low | 78.4 | Confident | 187 Ų | 187 | 67.4 Ų | 67.4 | 71% | 0.706 | 34% | 0.341 | S | S | * | . | trans | -115.6 | 59.1 | -178.1 | -68.1 | -175.1 | -179.8 | 176.1 | 0.4 | 110.9 | R145 Y148 | R145-R150 PolarHBondContact O-N 3.14Å; R145-R150 VanDerWaalsContact O-N 3.11Å; Y148-R150 PolarHBondContact O-N 3.42Å | ||
| 151 | W | 74.3 | Confident | 78.8 | Confident | 129 Ų | 129 | 65.1 Ų | 65.1 | 49% | 0.489 | 33% | 0.325 | S | S | . | . | trans | -101.7 | 146 | 179.8 | 55.1 | -90.5 | 0 | 0 | 0 | 111.3 | F146 D155 V156 | F146-W151 HydrophobicContact CD1-CB 3.61Å; F146-W151 AromaticContact CD1-CD1 3.74Å; F146-W151 HydrophobicContact CD1-CD2 4.4Å; F146-W151 AromaticContact CD1-CG 3.63Å; F146-W151 HydrophobicContact CD1-CG 3.63Å; F146-W151 HydrophobicContact CE1-CB 3.51Å; F146-W151 AromaticContact CE1-CD2 3.96Å; F146-W151 HydrophobicContact CE1-CD2 3.96Å; F146-W151 HydrophobicContact CE1-CE3 4.41Å; F146-W151 AromaticContact CE1-CG 3.55Å; F146-W151 HydrophobicContact CE1-CG 3.55Å; F146-W151 HydrophobicContact CG-CB 4.35Å; F146-W151 HydrophobicContact CZ-CB 4.19Å; W151-D155 WeakPolarHBondContact CA-OD2 3.26Å; W151-D155 HydrophobicContact CB-CB 4.31Å; W151-V156 HydrophobicContact CD2-CG2 4.49Å; W151-V156 HydrophobicContact CE3-CG2 3.61Å; W151-V156 HydrophobicContact CZ3-CG2 3.85Å | ||
| 152 | N | 71.8 | Confident | 79.5 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 34% | 0.342 | 31% | 0.314 | S | S | . | . | trans | -109.1 | 167.6 | 173 | -71.4 | -12.8 | 0 | 0 | 0 | 110.9 | L154 D155 V156 | N152-L154 PolarHBondContact O-N 3.1Å; N152-L154 VanDerWaalsContact O-N 3.1Å; N152-D155 PolarHBondContact N-OD2 3.15Å; N152-D155 WeakPolarHBondContact O-CB 3.48Å; N152-D155 PolarHBondContact O-N 2.78Å; N152-V156 PolarHBondContact O-N 3.43Å | ||
| 153 | N | 73.5 | Confident | 80.1 | Confident | 109 Ų | 109 | 67.5 Ų | 67.5 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -56.6 | -29 | 176.4 | -70 | -27.4 | 0 | 0 | 0 | 113 | L77 S157 | L77-N153 HydrophobicContact CD2-CB 4.32Å; N153-S157 PolarHBondContact O-N 2.87Å; N153-S157 VanDerWaalsContact O-N 3.11Å |
| 154 | L | 77.1 | Confident | 80.5 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 174.2 | -174.8 | 69.9 | 0 | 0 | 0 | 112 | T74 L77 I78 V81 I88 N152 V156 S157 Y158 | T74-L154 HydrophobicContact CG2-CD1 3.71Å; T74-L154 VanDerWaalsContact O-CD1 3.29Å; T74-L154 WeakPolarHBondContact O-CD1 3.02Å; L77-L154 HydrophobicContact CB-CD1 3.95Å; I78-L154 HydrophobicContact CG1-CD1 4.08Å; V81-L154 HydrophobicContact CG2-CB 3.87Å; I88-L154 HydrophobicContact CD1-CD2 4.44Å; N152-L154 PolarHBondContact O-N 3.1Å; N152-L154 VanDerWaalsContact O-N 3.1Å; L154-V156 VanDerWaalsContact C-N 3.33Å; L154-V156 PolarHBondContact O-N 2.77Å; L154-S157 PolarHBondContact O-N 2.71Å; L154-Y158 WeakPolarHBondContact O-CB 3.42Å; L154-Y158 PolarHBondContact O-N 2.79Å |
| 155 | D | 78.9 | Confident | 81.1 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.032 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 179.3 | -63.7 | -40.1 | 0 | 0 | 0 | 111.4 | T142 R145 F146 W151 N152 A159 | T142-D155 HydrophobicContact CG2-CB 3.73Å; R145-D155 IonicContact CZ-OD1 3.06Å; R145-D155 IonicContact NE-OD1 3.5Å; R145-D155 IonicContact NH1-OD1 3.21Å; R145-D155 PolarHBondContact NH1-OD1 2.76Å; R145-D155 IonicContact NH2-OD1 2.78Å; R145-D155 PolarHBondContact NH2-OD1 2.91Å; F146-D155 HydrophobicContact CE2-CB 4.19Å; F146-D155 HydrophobicContact CZ-CB 4.12Å; W151-D155 WeakPolarHBondContact CA-OD2 3.26Å; W151-D155 HydrophobicContact CB-CB 4.31Å; N152-D155 PolarHBondContact N-OD2 3.15Å; N152-D155 WeakPolarHBondContact O-CB 3.48Å; N152-D155 PolarHBondContact O-N 2.78Å; D155-A159 VanDerWaalsContact O-CB 3.3Å; D155-A159 WeakPolarHBondContact O-CB 2.93Å; D155-A159 PolarHBondContact O-N 3.3Å |
| 156 | V | 82.8 | Confident | 81.7 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 35% | 0.345 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 175 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | F146 W151 N152 L154 Y158 A159 V160 | F146-V156 HydrophobicContact CE1-CG2 3.96Å; F146-V156 HydrophobicContact CZ-CB 4.42Å; F146-V156 HydrophobicContact CZ-CG2 3.77Å; W151-V156 HydrophobicContact CD2-CG2 4.49Å; W151-V156 HydrophobicContact CE3-CG2 3.61Å; W151-V156 HydrophobicContact CZ3-CG2 3.85Å; N152-V156 PolarHBondContact O-N 3.43Å; L154-V156 VanDerWaalsContact C-N 3.33Å; L154-V156 PolarHBondContact O-N 2.77Å; V156-Y158 VanDerWaalsContact C-N 3.34Å; V156-Y158 PolarHBondContact O-N 2.75Å; V156-A159 PolarHBondContact O-N 3.14Å; V156-V160 WeakPolarHBondContact O-CG2 3.45Å; V156-V160 PolarHBondContact O-N 3.2Å |
| 157 | S | 81.7 | Confident | 82.2 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | T73 T74 N153 L154 V160 Y161 | T73-S157 PolarHBondContact OG1-OG 2.92Å; T74-S157 WeakPolarHBondContact CA-OG 3.23Å; T74-S157 PolarHBondContact N-OG 3.48Å; T74-S157 PolarHBondContact OG1-OG 2.91Å; N153-S157 PolarHBondContact O-N 2.87Å; N153-S157 VanDerWaalsContact O-N 3.11Å; L154-S157 PolarHBondContact O-N 2.71Å; S157-V160 PolarHBondContact O-N 3.46Å; S157-Y161 WeakPolarHBondContact O-CB 3.37Å; S157-Y161 PolarHBondContact O-N 3.44Å |
| 158 | Y | 83.7 | Confident | 82.6 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 177.6 | -172.4 | -94.3 | 0 | 0 | 0 | 112 | T74 Y96 E135 E138 F139 T142 L154 V156 V160 Y161 Y162 | T74-Y158 HydrophobicContact CG2-CD2 4.19Å; Y96-Y158 HydrophobicContact CE1-CD2 4.01Å; Y96-Y158 HydrophobicContact CE1-CE2 4.18Å; E135-Y158 WeakPolarHBondContact CB-OH 3.43Å; E135-Y158 PolarHBondContact O-OH 3.5Å; E138-Y158 HydrophobicContact CB-CE1 4.2Å; E138-Y158 WeakPolarHBondContact CB-OH 3.5Å; E138-Y158 VanDerWaalsContact CD-CZ 3.49Å; E138-Y158 HydrophobicContact CG-CE1 3.84Å; E138-Y158 HydrophobicContact CG-CE2 4.26Å; E138-Y158 PolarHBondContact OE2-OH 2.82Å; F139-Y158 HydrophobicContact CB-CE1 4.22Å; T142-Y158 HydrophobicContact CG2-CD1 4.41Å; L154-Y158 WeakPolarHBondContact O-CB 3.42Å; L154-Y158 PolarHBondContact O-N 2.79Å; V156-Y158 VanDerWaalsContact C-N 3.34Å; V156-Y158 PolarHBondContact O-N 2.75Å; Y158-V160 VanDerWaalsContact C-N 3.33Å; Y158-V160 PolarHBondContact O-N 3.3Å; Y158-Y161 HydrophobicContact CD2-CD1 4.14Å; Y158-Y161 HydrophobicContact CE2-CD1 4.07Å; Y158-Y161 HydrophobicContact CE2-CE1 4.18Å; Y158-Y161 WeakPolarHBondContact O-CB 3.38Å; Y158-Y161 PolarHBondContact O-N 3.45Å; Y158-Y162 PolarHBondContact O-N 2.63Å |
| 159 | A | 86.5 | Confident | 83 | Confident | 17 Ų | 17 | 49 Ų | 49 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | F139 F146 D155 V156 C163 | F139-A159 HydrophobicContact CE2-CB 4.17Å; F146-A159 HydrophobicContact CE2-CB 4Å; D155-A159 VanDerWaalsContact O-CB 3.3Å; D155-A159 WeakPolarHBondContact O-CB 2.93Å; D155-A159 PolarHBondContact O-N 3.3Å; V156-A159 PolarHBondContact O-N 3.14Å; A159-C163 WeakPolarHBondContact O-CB 3.31Å; A159-C163 PolarHBondContact O-N 3.25Å; A159-C163 PolarHBondContact O-SG 3.11Å |
| 160 | V | 86.3 | Confident | 83.6 | Confident | 77 Ų | 77 | 50.3 Ų | 50.3 | 47% | 0.467 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | V156 S157 Y158 C163 L164 | V156-V160 WeakPolarHBondContact O-CG2 3.45Å; V156-V160 PolarHBondContact O-N 3.2Å; S157-V160 PolarHBondContact O-N 3.46Å; Y158-V160 VanDerWaalsContact C-N 3.33Å; Y158-V160 PolarHBondContact O-N 3.3Å; V160-C163 PolarHBondContact O-N 2.66Å; V160-L164 HydrophobicContact CG1-CD1 4.11Å; V160-L164 WeakPolarHBondContact O-CG 3.14Å; V160-L164 PolarHBondContact O-N 2.95Å |
| 161 | Y | 89.7 | Confident | 84.4 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 2% | 0.02 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.4 | -50.4 | 176.7 | 161.5 | -104.1 | 0 | 0 | 0 | 112.2 | L67 A70 M103 E135 S157 Y158 C163 L164 L165 | L67-Y161 HydrophobicContact CD2-CD2 4.27Å; L67-Y161 HydrophobicContact CD2-CE2 3.75Å; L67-Y161 HydrophobicContact CG-CD2 4.21Å; L67-Y161 HydrophobicContact CG-CE2 4.16Å; A70-Y161 HydrophobicContact CB-CD2 4.29Å; M103-Y161 HydrophobicContact CE-CE2 4.24Å; M103-Y161 WeakPolarHBondContact CE-OH 3.43Å; M103-Y161 HydrophobicContact CG-CE2 4.11Å; E135-Y161 VanDerWaalsContact CD-OH 3.31Å; E135-Y161 PolarHBondContact OE1-OH 3.21Å; E135-Y161 WeakPolarHBondContact OE2-CE1 3.24Å; E135-Y161 PolarHBondContact OE2-OH 2.94Å; E135-Y161 VanDerWaalsContact OE2-OH 3.09Å; S157-Y161 WeakPolarHBondContact O-CB 3.37Å; S157-Y161 PolarHBondContact O-N 3.44Å; Y158-Y161 HydrophobicContact CD2-CD1 4.14Å; Y158-Y161 HydrophobicContact CE2-CD1 4.07Å; Y158-Y161 HydrophobicContact CE2-CE1 4.18Å; Y158-Y161 WeakPolarHBondContact O-CB 3.38Å; Y158-Y161 PolarHBondContact O-N 3.45Å; Y161-C163 PolarHBondContact O-N 3.11Å; Y161-L164 WeakPolarHBondContact O-CB 3.35Å; Y161-L164 PolarHBondContact O-N 3.14Å; Y161-L164 VanDerWaalsContact O-N 3.17Å; Y161-L165 PolarHBondContact O-N 3.34Å |
| 162 | Y | 89.1 | Confident | 84.8 | Confident | 22 Ų | 22 | 37 Ų | 37 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -40.2 | 179 | -176.5 | -96.5 | 0 | 0 | 0 | 112.1 | E135 S136 F139 Y158 L164 L165 L166 | E135-Y162 HydrophobicContact CB-CD2 4.18Å; E135-Y162 HydrophobicContact CB-CE2 4.3Å; S136-Y162 VanDerWaalsContact CB-OH 3.27Å; S136-Y162 WeakPolarHBondContact CB-OH 3.25Å; F139-Y162 HydrophobicContact CB-CD1 3.87Å; F139-Y162 HydrophobicContact CB-CD2 4.01Å; F139-Y162 HydrophobicContact CB-CE1 4.02Å; F139-Y162 HydrophobicContact CB-CE2 4.16Å; F139-Y162 HydrophobicContact CB-CG 3.85Å; F139-Y162 AromaticContact CD1-CD1 3.65Å; F139-Y162 HydrophobicContact CD1-CD1 3.65Å; F139-Y162 AromaticContact CD1-CE1 3.52Å; F139-Y162 HydrophobicContact CD1-CE1 3.52Å; F139-Y162 HydrophobicContact CD1-CG 4.48Å; F139-Y162 AromaticContact CD2-CD1 3.36Å; F139-Y162 HydrophobicContact CD2-CD1 3.36Å; F139-Y162 HydrophobicContact CD2-CE1 4.13Å; F139-Y162 AromaticContact CD2-CG 3.65Å; F139-Y162 HydrophobicContact CD2-CG 3.65Å; F139-Y162 AromaticContact CE1-CD1 3.97Å; F139-Y162 HydrophobicContact CE1-CD1 3.97Å; F139-Y162 AromaticContact CE1-CE1 3.96Å; F139-Y162 HydrophobicContact CE1-CE1 3.96Å; F139-Y162 AromaticContact CE2-CD1 3.71Å; F139-Y162 HydrophobicContact CE2-CD1 3.71Å; F139-Y162 HydrophobicContact CE2-CG 4.32Å; F139-Y162 AromaticContact CG-CD1 3.32Å; F139-Y162 HydrophobicContact CG-CD1 3.32Å; F139-Y162 HydrophobicContact CG-CD2 4.36Å; F139-Y162 AromaticContact CG-CE1 3.61Å; F139-Y162 HydrophobicContact CG-CE1 3.61Å; F139-Y162 AromaticContact CG-CG 3.74Å; F139-Y162 HydrophobicContact CG-CG 3.74Å; F139-Y162 AromaticContact CZ-CD1 4Å; F139-Y162 HydrophobicContact CZ-CD1 4Å; F139-Y162 HydrophobicContact CZ-CE1 4.43Å; Y158-Y162 PolarHBondContact O-N 2.63Å; Y162-L164 VanDerWaalsContact C-N 3.32Å; Y162-L164 PolarHBondContact O-N 3.47Å; Y162-L165 WeakPolarHBondContact O-CB 3.29Å; Y162-L165 PolarHBondContact O-N 3.06Å; Y162-L166 HydrophobicContact CE1-CD1 4.07Å; Y162-L166 PolarHBondContact O-N 3.31Å |
| 163 | C | 89.8 | Confident | 85.3 | Confident | 67 Ų | 67 | 37.9 Ų | 37.9 | 45% | 0.453 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.6 | -43.6 | 173.4 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | A159 V160 Y161 L165 L166 V167 | A159-C163 WeakPolarHBondContact O-CB 3.31Å; A159-C163 PolarHBondContact O-N 3.25Å; A159-C163 PolarHBondContact O-SG 3.11Å; V160-C163 PolarHBondContact O-N 2.66Å; Y161-C163 PolarHBondContact O-N 3.11Å; C163-L165 VanDerWaalsContact C-N 3.34Å; C163-L166 PolarHBondContact O-N 3.19Å; C163-V167 VanDerWaalsContact O-CG2 3.31Å; C163-V167 WeakPolarHBondContact O-CG2 2.87Å; C163-V167 PolarHBondContact O-N 2.92Å |
| 164 | L | 89.6 | Confident | 85.7 | Confident | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -38 | 176.6 | -71.7 | 169.3 | 0 | 0 | 0 | 112 | L66 L67 A70 V160 Y161 Y162 L166 V167 Q168 | L66-L164 HydrophobicContact CB-CD1 4.06Å; L66-L164 HydrophobicContact CB-CD2 4.27Å; L66-L164 HydrophobicContact CD1-CD2 4.4Å; L67-L164 HydrophobicContact CD1-CB 4.11Å; L67-L164 HydrophobicContact CG-CB 4.4Å; A70-L164 HydrophobicContact CB-CD1 3.85Å; V160-L164 HydrophobicContact CG1-CD1 4.11Å; V160-L164 WeakPolarHBondContact O-CG 3.14Å; V160-L164 PolarHBondContact O-N 2.95Å; Y161-L164 WeakPolarHBondContact O-CB 3.35Å; Y161-L164 PolarHBondContact O-N 3.14Å; Y161-L164 VanDerWaalsContact O-N 3.17Å; Y162-L164 VanDerWaalsContact C-N 3.32Å; Y162-L164 PolarHBondContact O-N 3.47Å; L164-L166 VanDerWaalsContact C-N 3.34Å; L164-V167 PolarHBondContact O-N 2.93Å; L164-Q168 WeakPolarHBondContact O-CB 3.23Å; L164-Q168 PolarHBondContact O-N 2.99Å |
| 165 | L | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.7 | -174.2 | 67.5 | 0 | 0 | 0 | 111.7 | L67 M103 C132 E135 Y161 Y162 C163 Q168 L169 | L67-L165 HydrophobicContact CD1-CB 3.83Å; L67-L165 HydrophobicContact CD1-CD1 3.88Å; L67-L165 HydrophobicContact CD1-CG 4.48Å; M103-L165 HydrophobicContact CE-CD1 3.86Å; C132-L165 HydrophobicContact CB-CD2 4.29Å; C132-L165 HydrophobicContact CB-CG 4.46Å; E135-L165 VanDerWaalsContact OE2-CD2 3.25Å; E135-L165 WeakPolarHBondContact OE2-CD2 3.5Å; Y161-L165 PolarHBondContact O-N 3.34Å; Y162-L165 WeakPolarHBondContact O-CB 3.29Å; Y162-L165 PolarHBondContact O-N 3.06Å; C163-L165 VanDerWaalsContact C-N 3.34Å; L165-Q168 WeakPolarHBondContact O-CB 3.35Å; L165-Q168 PolarHBondContact O-N 3.01Å; L165-L169 PolarHBondContact O-N 3.35Å |
| 166 | L | 90.7 | Very high | 84.8 | Confident | 68 Ų | 68 | 42.4 Ų | 42.4 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.1 | -41.9 | 177.3 | -162.2 | 146.1 | 0 | 0 | 0 | 111.4 | Y162 C163 L164 Q168 L169 I170 | Y162-L166 HydrophobicContact CE1-CD1 4.07Å; Y162-L166 PolarHBondContact O-N 3.31Å; C163-L166 PolarHBondContact O-N 3.19Å; L164-L166 VanDerWaalsContact C-N 3.34Å; L166-Q168 VanDerWaalsContact C-N 3.32Å; L166-Q168 PolarHBondContact O-N 3.5Å; L166-L169 PolarHBondContact O-N 2.94Å; L166-I170 HydrophobicContact CD2-CD1 3.59Å; L166-I170 HydrophobicContact CD2-CG1 4.36Å; L166-I170 WeakPolarHBondContact O-CG1 3.38Å; L166-I170 PolarHBondContact O-N 3.37Å |
| 167 | V | 89.7 | Confident | 83.8 | Confident | 61 Ų | 61 | 47.5 Ų | 47.5 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | I63 C163 L164 L169 I170 I171 | I63-V167 HydrophobicContact CD1-CG1 3.72Å; C163-V167 VanDerWaalsContact O-CG2 3.31Å; C163-V167 WeakPolarHBondContact O-CG2 2.87Å; C163-V167 PolarHBondContact O-N 2.92Å; L164-V167 PolarHBondContact O-N 2.93Å; V167-L169 VanDerWaalsContact C-N 3.34Å; V167-L169 PolarHBondContact O-N 3.46Å; V167-I170 PolarHBondContact O-N 3.35Å; V167-I171 HydrophobicContact CG1-CD1 3.87Å; V167-I171 HydrophobicContact CG1-CG1 4.44Å; V167-I171 WeakPolarHBondContact O-CG1 3.22Å; V167-I171 PolarHBondContact O-N 3.11Å |
| 168 | Q | 87.7 | Confident | 82.7 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 2% | 0.023 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 176.9 | -176.1 | 65.1 | 3.8 | 0 | 0 | 111.7 | R60 I63 L67 L164 L165 L166 S172 | R60-Q168 VanDerWaalsContact CG-NE2 3.29Å; R60-Q168 PolarHBondContact O-NE2 3.09Å; R60-Q168 PolarHBondContact O-OE1 3.33Å; I63-Q168 HydrophobicContact CG2-CB 3.94Å; L67-Q168 HydrophobicContact CD1-CB 4.27Å; L164-Q168 WeakPolarHBondContact O-CB 3.23Å; L164-Q168 PolarHBondContact O-N 2.99Å; L165-Q168 WeakPolarHBondContact O-CB 3.35Å; L165-Q168 PolarHBondContact O-N 3.01Å; L166-Q168 VanDerWaalsContact C-N 3.32Å; L166-Q168 PolarHBondContact O-N 3.5Å; Q168-S172 VanDerWaalsContact O-CB 3.3Å; Q168-S172 WeakPolarHBondContact O-CB 3.21Å; Q168-S172 PolarHBondContact O-N 2.9Å; Q168-S172 PolarHBondContact O-OG 2.65Å |
| 169 | L | 87.9 | Confident | 81.2 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 174.2 | -175.9 | 65.3 | 0 | 0 | 0 | 110.9 | F125 N128 A129 C132 L165 L166 V167 I171 S172 C173 | F125-L169 HydrophobicContact CD2-CD1 4.31Å; F125-L169 HydrophobicContact CE2-CD1 3.87Å; F125-L169 HydrophobicContact CZ-CD1 4.23Å; N128-L169 HydrophobicContact CB-CD1 4.38Å; A129-L169 HydrophobicContact CB-CD1 3.91Å; C132-L169 HydrophobicContact CB-CD2 4.03Å; L165-L169 PolarHBondContact O-N 3.35Å; L166-L169 PolarHBondContact O-N 2.94Å; V167-L169 VanDerWaalsContact C-N 3.34Å; V167-L169 PolarHBondContact O-N 3.46Å; L169-I171 PolarHBondContact O-N 3.19Å; L169-S172 WeakPolarHBondContact O-CA 3.3Å; L169-S172 WeakPolarHBondContact O-CB 3.16Å; L169-S172 PolarHBondContact O-N 2.97Å; L169-C173 PolarHBondContact O-N 3.4Å; L169-C173 PolarHBondContact O-SG 2.93Å |
| 170 | I | 87.8 | Confident | 79.4 | Confident | 82 Ų | 82 | 60.7 Ų | 60.7 | 42% | 0.421 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57 | -49.5 | 177.2 | -71.3 | 169.9 | 0 | 0 | 0 | 111 | L166 V167 S172 C173 W174 | L166-I170 HydrophobicContact CD2-CD1 3.59Å; L166-I170 HydrophobicContact CD2-CG1 4.36Å; L166-I170 WeakPolarHBondContact O-CG1 3.38Å; L166-I170 PolarHBondContact O-N 3.37Å; V167-I170 PolarHBondContact O-N 3.35Å; I170-S172 PolarHBondContact O-N 3.36Å; I170-C173 VanDerWaalsContact O-CB 3.29Å; I170-C173 WeakPolarHBondContact O-CB 3.42Å; I170-C173 PolarHBondContact O-N 3.42Å; I170-C173 VanDerWaalsContact O-N 3.12Å; I170-W174 HydrophobicContact CG2-CH2 4.16Å; I170-W174 HydrophobicContact CG2-CZ3 3.72Å; I170-W174 WeakPolarHBondContact O-CZ3 3.27Å |
| 171 | I | 84.8 | Confident | 77.4 | Confident | 20 Ų | 20 | 65.3 Ų | 65.3 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.6 | -27.3 | 179.3 | -67.6 | 171.3 | 0 | 0 | 0 | 111.7 | L56 R60 I63 V167 L169 C173 | L56-I171 HydrophobicContact CD1-CG2 4.01Å; L56-I171 HydrophobicContact CG-CG2 4.43Å; R60-I171 HydrophobicContact CB-CG2 3.91Å; R60-I171 HydrophobicContact CG-CG2 4.38Å; R60-I171 PolarHBondContact NH2-O 3.38Å; I63-I171 HydrophobicContact CD1-CD1 3.08Å; I63-I171 HydrophobicContact CG1-CD1 4.48Å; V167-I171 HydrophobicContact CG1-CD1 3.87Å; V167-I171 HydrophobicContact CG1-CG1 4.44Å; V167-I171 WeakPolarHBondContact O-CG1 3.22Å; V167-I171 PolarHBondContact O-N 3.11Å; L169-I171 PolarHBondContact O-N 3.19Å; I171-C173 PolarHBondContact O-N 3.12Å |
| 172 | S | 81.5 | Confident | 75.4 | Confident | 17 Ų | 17 | 67.5 Ų | 67.5 | 12% | 0.119 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.4 | -14.2 | 176.6 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | Q168 L169 I170 W174 | Q168-S172 VanDerWaalsContact O-CB 3.3Å; Q168-S172 WeakPolarHBondContact O-CB 3.21Å; Q168-S172 PolarHBondContact O-N 2.9Å; Q168-S172 PolarHBondContact O-OG 2.65Å; L169-S172 WeakPolarHBondContact O-CA 3.3Å; L169-S172 WeakPolarHBondContact O-CB 3.16Å; L169-S172 PolarHBondContact O-N 2.97Å; I170-S172 PolarHBondContact O-N 3.36Å; S172-W174 VanDerWaalsContact C-N 3.3Å; S172-W174 PolarHBondContact O-N 3.08Å |
| 173 | C | 83.4 | Confident | 73.2 | Confident | 83 Ų | 83 | 74.1 Ų | 74.1 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -23.4 | 175.3 | -65.6 | 0 | 0 | 0 | 0 | 113.8 | L169 I170 I171 | L169-C173 PolarHBondContact O-N 3.4Å; L169-C173 PolarHBondContact O-SG 2.93Å; I170-C173 VanDerWaalsContact O-CB 3.29Å; I170-C173 WeakPolarHBondContact O-CB 3.42Å; I170-C173 PolarHBondContact O-N 3.42Å; I170-C173 VanDerWaalsContact O-N 3.12Å; I171-C173 PolarHBondContact O-N 3.12Å |
| 174 | W | 82.2 | Confident | 70.9 | Confident | 152 Ų | 152 | 78.3 Ų | 78.3 | 58% | 0.576 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -95.3 | 128.2 | 177.8 | -69.1 | -83.5 | 0 | 0 | 0 | 111.9 | L56 R60 I170 S172 | L56-W174 HydrophobicContact CD1-CB 4.15Å; L56-W174 HydrophobicContact CD2-CB 3.69Å; L56-W174 WeakPolarHBondContact CD2-O 3.35Å; R60-W174 PolarHBondContact NH2-O 2.91Å; I170-W174 HydrophobicContact CG2-CH2 4.16Å; I170-W174 HydrophobicContact CG2-CZ3 3.72Å; I170-W174 WeakPolarHBondContact O-CZ3 3.27Å; S172-W174 VanDerWaalsContact C-N 3.3Å; S172-W174 PolarHBondContact O-N 3.08Å |
| 175 | A | 68.5 | Low | 68.6 | Low | 62 Ų | 62 | 85.2 Ų | 85.2 | 51% | 0.512 | 44% | 0.442 | S | S | . | . | trans | -71.2 | 143.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q177 | A175-Q177 PolarHBondContact O-N 3.15Š| ||
| 176 | D | 68.6 | Low | 66.1 | Low | 9 Ų | 9 | 88.4 Ų | 88.4 | 5% | 0.048 | 46% | 0.459 | C | S | . | . | trans | -70.8 | 111.3 | 175.4 | -57.7 | -34.8 | 0 | 0 | 0 | 109.7 | L51 R60 I119 | L51-D176 HydrophobicContact CD2-CB 4.18Å; R60-D176 IonicContact CZ-OD1 3.49Å; R60-D176 VanDerWaalsContact NH1-CG 3.32Å; R60-D176 IonicContact NH1-OD1 3.98Å; R60-D176 PolarHBondContact NH1-OD1 3.29Å; R60-D176 IonicContact NH1-OD2 3.17Å; R60-D176 PolarHBondContact NH1-OD2 3.47Å; R60-D176 VanDerWaalsContact NH1-OD2 3.11Å; R60-D176 IonicContact NH2-OD1 3.22Å; I119-D176 HydrophobicContact CG2-CB 4.29Å | ||
| 177 | Q | 61 | Low | 63.7 | Low | 163 Ų | 163 | 89.5 Ų | 89.5 | 76% | 0.762 | 47% | 0.468 | S | S | * | . | trans | -72.3 | 134.3 | -179.8 | -68.8 | -174.7 | -10.9 | 0 | 0 | 112.1 | A175 | A175-Q177 PolarHBondContact O-N 3.15Š| ||
| 178 | I | 58 | Low | 61.1 | Low | 118 Ų | 118 | 90.4 Ų | 90.4 | 61% | 0.605 | 48% | 0.477 | S | S | * | . | trans | -86.1 | 118.2 | 166.4 | -61.8 | 168.9 | 0 | 0 | 0 | 108.5 | I119 A180 | I119-I178 HydrophobicContact CD1-CD1 3.54Å; I119-I178 HydrophobicContact CD1-CG1 4.01Å; I119-I178 HydrophobicContact CG1-CD1 4.44Å; I178-A180 PolarHBondContact O-N 3.08Å | ||
| 179 | D | 53.3 | Low | 58.8 | Low | 117 Ų | 117 | 98.4 Ų | 98.4 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | trans | -66.4 | 96.3 | -180 | -128.7 | -14.1 | 0 | 0 | 0 | 112 | K181 A182 | D179-K181 PolarHBondContact O-N 3.33Å; D179-A182 HydrophobicContact CB-CB 4.5Å | ||
| 180 | A | 48.7 | Very low | 56.2 | Low | 75 Ų | 75 | 100.1 Ų | 100.1 | 62% | 0.62 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -32.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I178 A182 K183 | I178-A180 PolarHBondContact O-N 3.08Å; A180-A182 PolarHBondContact O-N 2.99Å; A180-K183 PolarHBondContact O-N 3.33Å; A180-K183 VanDerWaalsContact O-N 3.11Å |
| 181 | K | 44.8 | Very low | 53.8 | Low | 174 Ų | 174 | 103.4 Ų | 103.4 | 76% | 0.757 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -20.9 | -179.1 | -74.1 | -178.2 | 177.1 | 177.5 | 0 | 113.9 | D179 K183 | D179-K181 PolarHBondContact O-N 3.33Å; K181-K183 VanDerWaalsContact C-N 3.27Å; K181-K183 PolarHBondContact O-N 3.23Å |
| 182 | A | 46.9 | Very low | 51.6 | Low | 51 Ų | 51 | 109.7 Ų | 109.7 | 42% | 0.421 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -73.6 | -16.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D179 A180 N186 | D179-A182 HydrophobicContact CB-CB 4.5Å; A180-A182 PolarHBondContact O-N 2.99Å; A182-N186 PolarHBondContact O-ND2 3.31Å |
| 183 | K | 42.1 | Very low | 49.1 | Very low | 161 Ų | 161 | 120.2 Ų | 120.2 | 70% | 0.7 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -79.3 | -41.1 | 177.7 | -97.2 | 178.7 | 173.7 | 179.6 | 0 | 112.9 | A180 K181 N186 | A180-K183 PolarHBondContact O-N 3.33Å; A180-K183 VanDerWaalsContact O-N 3.11Å; K181-K183 VanDerWaalsContact C-N 3.27Å; K181-K183 PolarHBondContact O-N 3.23Å; K183-N186 PolarHBondContact O-N 3.48Å |
| 184 | E | 41.3 | Very low | 46.7 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 72% | 0.724 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.5 | -41.8 | -174.1 | -79.2 | 177 | 154.3 | 0 | 0 | 113.7 | N186 V187 | E184-N186 PolarHBondContact O-N 3.1Å; E184-N186 VanDerWaalsContact O-N 3.1Å; E184-V187 PolarHBondContact O-N 3.19Å |
| 185 | K | 42.2 | Very low | 44.3 | Very low | 180 Ų | 180 | 123.5 Ų | 123.5 | 78% | 0.783 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -15.9 | 178.2 | -88.1 | -174.8 | 175.4 | -179.3 | 0 | 114.7 | ||
| 186 | N | 37.2 | Very low | 42.7 | Very low | 66 Ų | 66 | 127 Ų | 127 | 35% | 0.353 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.1 | -9.4 | -177.5 | -75.7 | -48.8 | 0 | 0 | 0 | 113.4 | A182 K183 E184 R209 | A182-N186 PolarHBondContact O-ND2 3.31Å; K183-N186 PolarHBondContact O-N 3.48Å; E184-N186 PolarHBondContact O-N 3.1Å; E184-N186 VanDerWaalsContact O-N 3.1Å; N186-R209 PolarHBondContact OD1-NH1 2.98Å; N186-R209 VanDerWaalsContact OD1-NH1 3.15Å |
| 187 | V | 40.7 | Very low | 41.3 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 55% | 0.552 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -41.4 | 178.4 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | E184 F189 C190 | E184-V187 PolarHBondContact O-N 3.19Å; V187-F189 VanDerWaalsContact C-N 3.33Å; V187-F189 PolarHBondContact O-N 2.89Å; V187-C190 PolarHBondContact O-N 3.22Å |
| 188 | S | 35.3 | Very low | 40.2 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 56% | 0.559 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -23.7 | -177.9 | 58.5 | 0 | 0 | 0 | 0 | 115 | C190 | S188-C190 VanDerWaalsContact C-N 3.31Å; S188-C190 PolarHBondContact O-N 2.92Å |
| 189 | F | 37.8 | Very low | 38.9 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 76% | 0.759 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -14 | 179.2 | -162.2 | -96.9 | 0 | 0 | 0 | 113.4 | V187 | V187-F189 VanDerWaalsContact C-N 3.33Å; V187-F189 PolarHBondContact O-N 2.89Å |
| 190 | C | 34.7 | Very low | 38 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 50% | 0.5 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | -13.9 | -175.4 | -83.8 | 0 | 0 | 0 | 0 | 114.9 | V187 S188 | V187-C190 PolarHBondContact O-N 3.22Å; S188-C190 VanDerWaalsContact C-N 3.31Å; S188-C190 PolarHBondContact O-N 2.92Å |
| 191 | E | 36.8 | Very low | 37.5 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -17 | -175.4 | -83.1 | 173.7 | 157 | 0 | 0 | 114.4 | ||
| 192 | N | 37.7 | Very low | 37 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 12.4 | -170.5 | -80.1 | -7.7 | 0 | 0 | 0 | 117.2 | ||
| 193 | R | 30.9 | Very low | 36.3 | Very low | 239 Ų | 239 | 136.7 Ų | 136.7 | 90% | 0.902 | 67% | 0.673 | S | S | * | * | trans | -141.6 | 101.3 | 173.4 | -70.1 | -169.3 | -174.4 | -173.3 | 2.5 | 112.6 | ||||
| 194 | T | 31.8 | Very low | 36.2 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 80% | 0.798 | 68% | 0.676 | S | S | * | * | trans | -77.2 | 153.9 | 172.6 | 41.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 195 | H | 32.4 | Very low | 36.2 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 80% | 0.801 | 66% | 0.656 | S | S | * | * | trans | 67.5 | 88.6 | 172 | -76.5 | -81.3 | 0 | 0 | 0 | 119.5 | ||||
| 196 | N | 34.8 | Very low | 35.9 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | 170.1 | 141.4 | 129 | -87.4 | -19.8 | 0 | 0 | 0 | 110.6 | Q198 | N196-Q198 PolarHBondContact O-N 2.77Š| |||
| 197 | D | 38.8 | Very low | 35.9 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 85% | 0.845 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -0.9 | -172.6 | -79 | -43.8 | 0 | 0 | 0 | 117.4 | C199 S200 | D197-C199 PolarHBondContact O-N 3.3Å; D197-S200 PolarHBondContact O-OG 3.36Å |
| 198 | Q | 38 | Very low | 35.9 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -13.5 | 176.2 | -67.2 | -177.1 | -10.7 | 0 | 0 | 113.9 | N196 S200 R202 | N196-Q198 PolarHBondContact O-N 2.77Å; Q198-S200 PolarHBondContact O-N 3.45Å; Q198-R202 PolarHBondContact O-N 2.66Å |
| 199 | C | 31.4 | Very low | 35.9 | Very low | 65 Ų | 65 | 137.2 Ų | 137.2 | 44% | 0.439 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73.4 | -25.9 | -175.2 | -144.7 | 0 | 0 | 0 | 0 | 113.5 | D197 K203 | D197-C199 PolarHBondContact O-N 3.3Å; C199-K203 WeakPolarHBondContact O-CG 3.46Å; C199-K203 PolarHBondContact O-N 3.06Å; C199-K203 VanDerWaalsContact O-N 3.16Å |
| 200 | S | 33.2 | Very low | 35.8 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72.3 | -34.7 | 179.7 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | D197 Q198 | D197-S200 PolarHBondContact O-OG 3.36Å; Q198-S200 PolarHBondContact O-N 3.45Å |
| 201 | F | 39 | Very low | 35.8 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -78.7 | -38.5 | 177.4 | -162.9 | -103.7 | 0 | 0 | 0 | 111.8 | K203 K204 I205 L244 | F201-K203 VanDerWaalsContact C-N 3.31Å; F201-K203 PolarHBondContact O-N 3.1Å; F201-K204 PolarHBondContact O-N 3.09Å; F201-I205 HydrophobicContact CD1-CD1 3.77Å; F201-I205 HydrophobicContact CE1-CD1 3.43Å; F201-I205 VanDerWaalsContact CE1-CD1 3.43Å; F201-I205 HydrophobicContact CZ-CD1 4.11Å; F201-L244 HydrophobicContact CE1-CD1 4.48Å |
| 202 | R | 33.8 | Very low | 36.1 | Very low | 168 Ų | 168 | 128.2 Ų | 128.2 | 63% | 0.634 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.6 | -37.4 | 173.3 | -113.7 | 178.6 | 177.8 | 178.4 | -1.1 | 112.5 | Q198 K204 I205 Q206 | Q198-R202 PolarHBondContact O-N 2.66Å; R202-K204 VanDerWaalsContact C-N 3.26Å; R202-K204 PolarHBondContact O-N 3.44Å; R202-I205 PolarHBondContact O-N 3.21Å; R202-Q206 WeakPolarHBondContact O-CB 3.02Å; R202-Q206 PolarHBondContact O-N 2.93Å |
| 203 | K | 32.4 | Very low | 36.3 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 61% | 0.609 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.3 | -28.1 | 175.6 | -82.3 | 176.8 | -179.8 | 179.3 | 0 | 114 | C199 F201 | C199-K203 WeakPolarHBondContact O-CG 3.46Å; C199-K203 PolarHBondContact O-N 3.06Å; C199-K203 VanDerWaalsContact O-N 3.16Å; F201-K203 VanDerWaalsContact C-N 3.31Å; F201-K203 PolarHBondContact O-N 3.1Å |
| 204 | K | 39.3 | Very low | 36.8 | Very low | 174 Ų | 174 | 116.6 Ų | 116.6 | 76% | 0.757 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -81.9 | -26.3 | 177.6 | -92.1 | 178 | 177.2 | 170.1 | 0 | 113.9 | F201 R202 | F201-K204 PolarHBondContact O-N 3.09Å; R202-K204 VanDerWaalsContact C-N 3.26Å; R202-K204 PolarHBondContact O-N 3.44Å |
| 205 | I | 41.6 | Very low | 37.3 | Very low | 60 Ų | 60 | 112.4 Ų | 112.4 | 31% | 0.308 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -95.9 | -35.7 | -173.4 | -66 | 171.6 | 0 | 0 | 0 | 111.5 | F201 R202 K207 R208 L244 | F201-I205 HydrophobicContact CD1-CD1 3.77Å; F201-I205 HydrophobicContact CE1-CD1 3.43Å; F201-I205 VanDerWaalsContact CE1-CD1 3.43Å; F201-I205 HydrophobicContact CZ-CD1 4.11Å; R202-I205 PolarHBondContact O-N 3.21Å; I205-K207 VanDerWaalsContact C-N 3.33Å; I205-K207 PolarHBondContact O-N 3.5Å; I205-R208 PolarHBondContact O-N 3Å; I205-L244 HydrophobicContact CD1-CD1 4.46Å |
| 206 | Q | 37 | Very low | 38 | Very low | 65 Ų | 65 | 106.1 Ų | 106.1 | 30% | 0.304 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -13.8 | -171.8 | -149.5 | 158.6 | -5.3 | 0 | 0 | 114.1 | R202 R209 | R202-Q206 WeakPolarHBondContact O-CB 3.02Å; R202-Q206 PolarHBondContact O-N 2.93Å; Q206-R209 WeakPolarHBondContact O-CB 3.18Å; Q206-R209 VanDerWaalsContact O-CD 3.31Å; Q206-R209 WeakPolarHBondContact O-CD 3.4Å; Q206-R209 VanDerWaalsContact O-CG 3.26Å; Q206-R209 WeakPolarHBondContact O-CG 3.48Å |
| 207 | K | 37.5 | Very low | 38.3 | Very low | 162 Ų | 162 | 104.1 Ų | 104.1 | 70% | 0.704 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -6.4 | 174.9 | -107.3 | 176.9 | 179.6 | 172.7 | 0 | 114.8 | I205 R209 | I205-K207 VanDerWaalsContact C-N 3.33Å; I205-K207 PolarHBondContact O-N 3.5Å; K207-R209 PolarHBondContact O-N 3.22Å; K207-R209 VanDerWaalsContact O-N 3.15Å |
| 208 | R | 40.9 | Very low | 38.6 | Very low | 154 Ų | 154 | 98.9 Ų | 98.9 | 58% | 0.581 | 48% | 0.476 | S | S | * | . | trans | -78.5 | 22.1 | 169.9 | -82.2 | -177.3 | 170.2 | 179.1 | -5.1 | 113.2 | I205 L210 | I205-R208 PolarHBondContact O-N 3Å; R208-L210 VanDerWaalsContact C-N 3.29Å; R208-L210 PolarHBondContact O-N 2.96Å | ||
| 209 | R | 35.2 | Very low | 39 | Very low | 129 Ų | 129 | 94.2 Ų | 94.2 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -3.9 | -157.2 | -122.6 | 174.9 | -177.4 | 172.2 | -2.4 | 117 | N186 Q206 K207 | N186-R209 PolarHBondContact OD1-NH1 2.98Å; N186-R209 VanDerWaalsContact OD1-NH1 3.15Å; Q206-R209 WeakPolarHBondContact O-CB 3.18Å; Q206-R209 VanDerWaalsContact O-CD 3.31Å; Q206-R209 WeakPolarHBondContact O-CD 3.4Å; Q206-R209 VanDerWaalsContact O-CG 3.26Å; Q206-R209 WeakPolarHBondContact O-CG 3.48Å; K207-R209 PolarHBondContact O-N 3.22Å; K207-R209 VanDerWaalsContact O-N 3.15Å |
| 210 | L | 34.8 | Very low | 39.3 | Very low | 145 Ų | 145 | 92.5 Ų | 92.5 | 76% | 0.759 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.4 | -10.3 | -174.5 | -96.5 | 142.1 | 0 | 0 | 0 | 116.4 | R208 S212 | R208-L210 VanDerWaalsContact C-N 3.29Å; R208-L210 PolarHBondContact O-N 2.96Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 2.78Å |
| 211 | L | 35.2 | Very low | 39.7 | Very low | 42 Ų | 42 | 89.8 Ų | 89.8 | 22% | 0.22 | 43% | 0.427 | C | S | . | . | trans | -80.4 | -9.3 | -175 | -89 | 140.1 | 0 | 0 | 0 | 114.6 | T53 S213 I214 E215 | T53-L211 HydrophobicContact CG2-CD2 3.6Å; T53-L211 HydrophobicContact CG2-CG 4.22Å; L211-S213 VanDerWaalsContact C-N 3.29Å; L211-S213 PolarHBondContact O-N 2.98Å; L211-I214 PolarHBondContact O-N 2.72Å; L211-E215 HydrophobicContact CB-CG 3.77Å; L211-E215 WeakPolarHBondContact CB-OE1 3.4Å; L211-E215 HydrophobicContact CD2-CG 4.12Å; L211-E215 WeakPolarHBondContact O-CB 3.25Å; L211-E215 WeakPolarHBondContact O-CG 3.07Å; L211-E215 PolarHBondContact O-N 2.81Å | ||
| 212 | S | 43 | Very low | 40.2 | Very low | 21 Ų | 21 | 85.5 Ų | 85.5 | 15% | 0.147 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -6.6 | -163.1 | 66.1 | 0 | 0 | 0 | 0 | 118.1 | L210 K248 | L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 2.78Å; S212-K248 WeakPolarHBondContact OG-CE 3.27Å; S212-K248 PolarHBondContact OG-NZ 2.89Å |
| 213 | S | 40.5 | Very low | 40.8 | Very low | 83 Ų | 83 | 83.5 Ų | 83.5 | 58% | 0.58 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -29.7 | -177.4 | -47 | 0 | 0 | 0 | 0 | 112.8 | L211 | L211-S213 VanDerWaalsContact C-N 3.29Å; L211-S213 PolarHBondContact O-N 2.98Å |
| 214 | I | 41.3 | Very low | 41.5 | Very low | 64 Ų | 64 | 80.9 Ų | 80.9 | 33% | 0.328 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -21.3 | 177.3 | -70.2 | 140 | 0 | 0 | 0 | 111.2 | L58 L211 L216 L217 | L58-I214 HydrophobicContact CD1-CB 4.33Å; L58-I214 HydrophobicContact CD1-CD1 3.46Å; L58-I214 VanDerWaalsContact CD1-CD1 3.46Å; L58-I214 HydrophobicContact CD1-CG1 3.9Å; L58-I214 HydrophobicContact CD1-CG2 3.7Å; L58-I214 HydrophobicContact CD2-CD1 3.97Å; L58-I214 HydrophobicContact CG-CD1 4.35Å; L211-I214 PolarHBondContact O-N 2.72Å; I214-L216 PolarHBondContact O-N 3.45Å; I214-L217 HydrophobicContact CG2-CD1 4.49Å; I214-L217 WeakPolarHBondContact O-CB 3.48Å; I214-L217 PolarHBondContact O-N 2.73Å |
| 215 | E | 43.7 | Very low | 42.2 | Very low | 42 Ų | 42 | 76 Ų | 76 | 20% | 0.196 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -56.8 | -19.1 | 172.9 | -88.9 | -176.1 | 169.9 | 0 | 0 | 114.1 | L211 L217 T218 L221 | L211-E215 HydrophobicContact CB-CG 3.77Å; L211-E215 WeakPolarHBondContact CB-OE1 3.4Å; L211-E215 HydrophobicContact CD2-CG 4.12Å; L211-E215 WeakPolarHBondContact O-CB 3.25Å; L211-E215 WeakPolarHBondContact O-CG 3.07Å; L211-E215 PolarHBondContact O-N 2.81Å; E215-L217 VanDerWaalsContact C-N 3.32Å; E215-T218 PolarHBondContact O-OG1 2.81Å; E215-L221 HydrophobicContact CB-CD1 3.74Å; E215-L221 HydrophobicContact CG-CD1 3.47Å; E215-L221 VanDerWaalsContact CG-CD1 3.47Å |
| 216 | L | 46.2 | Very low | 43.1 | Very low | 41 Ų | 41 | 76.2 Ų | 76.2 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -67.9 | -28.3 | 173 | -114.2 | 97.3 | 0 | 0 | 0 | 113.4 | I214 T218 T375 A378 I379 | I214-L216 PolarHBondContact O-N 3.45Å; L216-T218 VanDerWaalsContact C-N 3.26Å; L216-T218 PolarHBondContact O-N 3.17Å; L216-T375 HydrophobicContact CB-CG2 4.38Å; L216-T375 HydrophobicContact CD2-CG2 4.17Å; L216-A378 HydrophobicContact CD2-CB 3.57Å; L216-I379 HydrophobicContact CD2-CG1 3.65Å |
| 217 | L | 41.9 | Very low | 44.6 | Very low | 95 Ų | 95 | 82 Ų | 82 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -77.7 | -6.8 | -176.8 | -75.3 | 160.5 | 0 | 0 | 0 | 113.5 | I214 E215 P219 T375 | I214-L217 HydrophobicContact CG2-CD1 4.49Å; I214-L217 WeakPolarHBondContact O-CB 3.48Å; I214-L217 PolarHBondContact O-N 2.73Å; E215-L217 VanDerWaalsContact C-N 3.32Å; L217-P219 WeakPolarHBondContact O-CD 3.28Å; L217-T375 HydrophobicContact CD2-CG2 4.22Å |
| 218 | T | 45.3 | Very low | 46.3 | Very low | 47 Ų | 47 | 74.8 Ų | 74.8 | 29% | 0.288 | 37% | 0.367 | S | S | . | . | trans | -103.5 | 113.7 | -178.8 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | E215 L216 S220 L221 | E215-T218 PolarHBondContact O-OG1 2.81Å; L216-T218 VanDerWaalsContact C-N 3.26Å; L216-T218 PolarHBondContact O-N 3.17Å; T218-S220 PolarHBondContact O-N 2.92Å; T218-L221 PolarHBondContact O-N 3.49Å | ||
| 219 | P | 44.9 | Very low | 47.8 | Very low | 60 Ų | 60 | 68.2 Ų | 68.2 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -53.5 | -25.8 | 175 | -25.6 | 32.5 | 0 | 0 | 0 | 113.6 | L217 L221 I222 Q223 L371 | L217-P219 WeakPolarHBondContact O-CD 3.28Å; P219-L221 VanDerWaalsContact C-N 3.27Å; P219-L221 PolarHBondContact O-N 3.22Å; P219-I222 WeakPolarHBondContact O-CB 3.44Å; P219-I222 PolarHBondContact O-N 2.78Å; P219-Q223 PolarHBondContact O-N 3.38Å; P219-L371 HydrophobicContact CG-CD1 4.01Å; P219-L371 HydrophobicContact CG-CD2 3.91Å |
| 220 | S | 37.8 | Very low | 49.7 | Very low | 29 Ų | 29 | 67.3 Ų | 67.3 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.1 | -23.3 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | R115 T218 Q223 T224 | R115-S220 PolarHBondContact NH2-OG 2.94Å; T218-S220 PolarHBondContact O-N 2.92Å; S220-Q223 VanDerWaalsContact O-CB 3.3Å; S220-Q223 WeakPolarHBondContact O-CB 3.13Å; S220-Q223 PolarHBondContact O-N 3.06Å; S220-T224 PolarHBondContact O-N 3Å |
| 221 | L | 41.9 | Very low | 51.8 | Low | 31 Ų | 31 | 65.5 Ų | 65.5 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -84.8 | -33.2 | 179 | -100.7 | 147.3 | 0 | 0 | 0 | 112.4 | E215 T218 P219 Q223 T224 R225 | E215-L221 HydrophobicContact CB-CD1 3.74Å; E215-L221 HydrophobicContact CG-CD1 3.47Å; E215-L221 VanDerWaalsContact CG-CD1 3.47Å; T218-L221 PolarHBondContact O-N 3.49Å; P219-L221 VanDerWaalsContact C-N 3.27Å; P219-L221 PolarHBondContact O-N 3.22Å; L221-Q223 PolarHBondContact O-N 3.36Å; L221-T224 WeakPolarHBondContact CA-OG1 3.28Å; L221-T224 WeakPolarHBondContact CD2-OG1 3.29Å; L221-T224 PolarHBondContact O-N 3.26Å; L221-T224 VanDerWaalsContact O-N 3.13Å; L221-T224 PolarHBondContact O-OG1 3.46Å; L221-R225 PolarHBondContact O-N 3.39Å; L221-R225 VanDerWaalsContact O-N 3.08Å |
| 222 | I | 50 | Low | 53.8 | Low | 44 Ų | 44 | 63.8 Ų | 63.8 | 23% | 0.226 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52.5 | -37 | 161.9 | -67.6 | 175 | 0 | 0 | 0 | 109.5 | P219 F226 W1185 | P219-I222 WeakPolarHBondContact O-CB 3.44Å; P219-I222 PolarHBondContact O-N 2.78Å; I222-F226 PolarHBondContact O-N 3.16Å; I222-W1185 HydrophobicContact CG2-CB 4.01Å; I222-W1185 HydrophobicContact CG2-CG 3.93Å |
| 223 | Q | 46.6 | Very low | 55.5 | Low | 125 Ų | 125 | 68.9 Ų | 68.9 | 58% | 0.584 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -73.4 | -39.1 | 175.9 | -150.4 | 171.4 | 4.1 | 0 | 0 | 113.9 | P219 S220 L221 R225 F226 | P219-Q223 PolarHBondContact O-N 3.38Å; S220-Q223 VanDerWaalsContact O-CB 3.3Å; S220-Q223 WeakPolarHBondContact O-CB 3.13Å; S220-Q223 PolarHBondContact O-N 3.06Å; L221-Q223 PolarHBondContact O-N 3.36Å; Q223-R225 VanDerWaalsContact C-N 3.29Å; Q223-R225 PolarHBondContact O-N 3.05Å; Q223-F226 WeakPolarHBondContact O-CB 3.45Å; Q223-F226 PolarHBondContact O-N 3.15Å |
| 224 | T | 45.9 | Very low | 57.5 | Low | 86 Ų | 86 | 73.4 Ų | 73.4 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.4 | -26.1 | 175.3 | 50.5 | 0 | 0 | 0 | 0 | 114 | S220 L221 F226 | S220-T224 PolarHBondContact O-N 3Å; L221-T224 WeakPolarHBondContact CA-OG1 3.28Å; L221-T224 WeakPolarHBondContact CD2-OG1 3.29Å; L221-T224 PolarHBondContact O-N 3.26Å; L221-T224 VanDerWaalsContact O-N 3.13Å; L221-T224 PolarHBondContact O-OG1 3.46Å; T224-F226 VanDerWaalsContact C-N 3.29Å |
| 225 | R | 55.3 | Low | 59.1 | Low | 71 Ų | 71 | 76.1 Ų | 76.1 | 27% | 0.268 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -10.4 | 175.9 | -71.8 | -171.1 | -174.8 | -176.6 | 2.9 | 113.7 | L221 Q223 R227 I228 W243 | L221-R225 PolarHBondContact O-N 3.39Å; L221-R225 VanDerWaalsContact O-N 3.08Å; Q223-R225 VanDerWaalsContact C-N 3.29Å; Q223-R225 PolarHBondContact O-N 3.05Å; R225-R227 PolarHBondContact O-N 3.26Å; R225-I228 PolarHBondContact O-N 3.45Å; R225-W243 HydrophobicContact CB-CH2 3.67Å; R225-W243 HydrophobicContact CB-CZ2 3.64Å; R225-W243 HydrophobicContact CG-CH2 3.92Å; R225-W243 HydrophobicContact CG-CZ2 3.82Å |
| 226 | F | 60.7 | Low | 60.7 | Low | 64 Ų | 64 | 75.9 Ų | 75.9 | 28% | 0.281 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -18.9 | 178.5 | -174.2 | -107.8 | 0 | 0 | 0 | 114.7 | I222 Q223 T224 I228 A229 W230 F1119 W1185 | I222-F226 PolarHBondContact O-N 3.16Å; Q223-F226 WeakPolarHBondContact O-CB 3.45Å; Q223-F226 PolarHBondContact O-N 3.15Å; T224-F226 VanDerWaalsContact C-N 3.29Å; F226-I228 PolarHBondContact O-N 3.41Å; F226-I228 VanDerWaalsContact O-N 3.16Å; F226-A229 HydrophobicContact CD2-CB 4.43Å; F226-A229 PolarHBondContact O-N 2.83Å; F226-A229 VanDerWaalsContact O-N 3.12Å; F226-W230 HydrophobicContact CD1-CB 4.38Å; F226-W230 HydrophobicContact CE1-CB 4.15Å; F226-W230 HydrophobicContact CE1-CE3 4.17Å; F226-W230 HydrophobicContact CZ-CE3 4.46Å; F226-W230 PolarHBondContact O-N 3.35Å; F226-F1119 HydrophobicContact CD2-CE1 4.19Å; F226-F1119 HydrophobicContact CD2-CZ 4.28Å; F226-F1119 HydrophobicContact CE1-CZ 4.16Å; F226-F1119 HydrophobicContact CE2-CD1 4.3Å; F226-F1119 AromaticContact CE2-CE1 3.26Å; F226-F1119 HydrophobicContact CE2-CE1 3.26Å; F226-F1119 HydrophobicContact CE2-CE2 4.48Å; F226-F1119 AromaticContact CE2-CZ 3.36Å; F226-F1119 HydrophobicContact CE2-CZ 3.36Å; F226-F1119 AromaticContact CZ-CE1 3.66Å; F226-F1119 HydrophobicContact CZ-CE1 3.66Å; F226-F1119 HydrophobicContact CZ-CE2 4.06Å; F226-F1119 AromaticContact CZ-CZ 3.28Å; F226-F1119 HydrophobicContact CZ-CZ 3.28Å; F226-W1185 AromaticContact CD2-CE2 3.73Å; F226-W1185 AromaticContact CD2-CZ2 3.67Å; F226-W1185 HydrophobicContact CD2-CZ2 3.67Å; F226-W1185 AromaticContact CD2-NE1 3.6Å; F226-W1185 AromaticContact CE2-CE2 3.87Å; F226-W1185 AromaticContact CE2-CH2 3.85Å; F226-W1185 HydrophobicContact CE2-CH2 3.85Å; F226-W1185 AromaticContact CE2-CZ2 3.3Å; F226-W1185 HydrophobicContact CE2-CZ2 3.3Å; F226-W1185 HydrophobicContact CZ-CZ2 4.4Å |
| 227 | R | 68.5 | Low | 62.2 | Low | 187 Ų | 187 | 74.3 Ų | 74.3 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55.8 | -32.9 | 178.2 | -72.7 | -173.4 | -178.7 | -176 | -0.4 | 113.3 | R225 R231 | R225-R227 PolarHBondContact O-N 3.26Å; R227-R231 WeakPolarHBondContact O-CB 3.33Å; R227-R231 VanDerWaalsContact O-CG 3.3Å; R227-R231 WeakPolarHBondContact O-CG 3.19Å; R227-R231 PolarHBondContact O-N 2.87Å |
| 228 | I | 71.8 | Confident | 63.9 | Low | 11 Ų | 11 | 74.8 Ų | 74.8 | 6% | 0.056 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69 | -46.5 | 177 | -67.7 | -168.3 | 0 | 0 | 0 | 110.9 | R225 F226 W230 R231 G232 V237 D241 W243 | R225-I228 PolarHBondContact O-N 3.45Å; F226-I228 PolarHBondContact O-N 3.41Å; F226-I228 VanDerWaalsContact O-N 3.16Å; I228-W230 VanDerWaalsContact C-N 3.29Å; I228-W230 PolarHBondContact O-N 3.08Å; I228-R231 PolarHBondContact O-N 3.33Å; I228-G232 PolarHBondContact O-N 3.47Å; I228-V237 HydrophobicContact CG2-CG1 4.49Å; I228-V237 HydrophobicContact CG2-CG2 4.31Å; I228-D241 VanDerWaalsContact CD1-O 3.31Å; I228-D241 WeakPolarHBondContact CD1-O 3.43Å; I228-W243 HydrophobicContact CB-CZ2 4.33Å; I228-W243 HydrophobicContact CD1-CD2 3.67Å; I228-W243 HydrophobicContact CD1-CE3 4.25Å; I228-W243 HydrophobicContact CD1-CG 4.1Å; I228-W243 HydrophobicContact CD1-CH2 3.97Å; I228-W243 HydrophobicContact CD1-CZ2 3.37Å; I228-W243 HydrophobicContact CD1-CZ3 4.38Å; I228-W243 VanDerWaalsContact CD1-NE1 3.34Å; I228-W243 HydrophobicContact CG1-CZ2 3.71Å |
| 229 | A | 72.5 | Confident | 65.2 | Low | 16 Ų | 16 | 78.5 Ų | 78.5 | 13% | 0.132 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.8 | -37.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F226 G232 W233 F1119 T1123 | F226-A229 HydrophobicContact CD2-CB 4.43Å; F226-A229 PolarHBondContact O-N 2.83Å; F226-A229 VanDerWaalsContact O-N 3.12Å; A229-G232 PolarHBondContact O-N 3.41Å; A229-W233 WeakPolarHBondContact O-CB 3.49Å; A229-W233 PolarHBondContact O-N 3.35Å; A229-F1119 HydrophobicContact CB-CE1 3.4Å; A229-F1119 HydrophobicContact CB-CZ 3.54Å; A229-F1119 WeakPolarHBondContact O-CZ 3.45Å; A229-T1123 WeakPolarHBondContact CA-OG1 3.19Å; A229-T1123 HydrophobicContact CB-CG2 4.25Å; A229-T1123 PolarHBondContact O-OG1 3.36Å |
| 230 | W | 76.7 | Confident | 66.6 | Low | 110 Ų | 110 | 83.9 Ų | 83.9 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 174.5 | -176.9 | -99.9 | 0 | 0 | 0 | 112.7 | F226 I228 W233 R234 F1119 | F226-W230 HydrophobicContact CD1-CB 4.38Å; F226-W230 HydrophobicContact CE1-CB 4.15Å; F226-W230 HydrophobicContact CE1-CE3 4.17Å; F226-W230 HydrophobicContact CZ-CE3 4.46Å; F226-W230 PolarHBondContact O-N 3.35Å; I228-W230 VanDerWaalsContact C-N 3.29Å; I228-W230 PolarHBondContact O-N 3.08Å; W230-W233 HydrophobicContact CH2-CZ3 4.4Å; W230-W233 HydrophobicContact CZ3-CE3 4.45Å; W230-W233 HydrophobicContact CZ3-CZ3 4.42Å; W230-R234 VanDerWaalsContact CZ2-NH2 3.33Å; W230-R234 PolarHBondContact O-N 3.19Å; W230-F1119 HydrophobicContact CB-CZ 4.42Å; W230-F1119 AromaticContact CE3-CE2 3.89Å; W230-F1119 HydrophobicContact CE3-CE2 3.89Å |
| 231 | R | 77.9 | Confident | 68.4 | Low | 107 Ų | 107 | 82.9 Ų | 82.9 | 40% | 0.404 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -51.3 | 173.3 | -75.5 | -179.9 | -172.7 | -177.6 | 1 | 110.5 | R227 I228 W233 R234 R235 D241 | R227-R231 WeakPolarHBondContact O-CB 3.33Å; R227-R231 VanDerWaalsContact O-CG 3.3Å; R227-R231 WeakPolarHBondContact O-CG 3.19Å; R227-R231 PolarHBondContact O-N 2.87Å; I228-R231 PolarHBondContact O-N 3.33Å; R231-W233 PolarHBondContact O-N 3.49Å; R231-R234 PolarHBondContact O-N 2.85Å; R231-R235 CarbonylContact C-O 3.31Å; R231-R235 CarbonylContact O-C 3.46Å; R231-R235 PolarHBondContact O-N 2.93Å; R231-D241 VanDerWaalsContact CD-OD1 3.29Å; R231-D241 WeakPolarHBondContact CD-OD1 3.49Å; R231-D241 IonicContact CZ-OD1 2.65Å; R231-D241 IonicContact NE-OD1 2.8Å; R231-D241 IonicContact NH1-OD1 3.6Å; R231-D241 PolarHBondContact NH1-OD1 3.33Å |
| 232 | G | 77.1 | Confident | 70 | Confident | 5 Ų | 5 | 82.3 Ų | 82.3 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.8 | -33.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | I228 A229 R235 V237 | I228-G232 PolarHBondContact O-N 3.47Å; A229-G232 PolarHBondContact O-N 3.41Å; G232-R235 CarbonylContact C-O 3.58Å; G232-R235 WeakPolarHBondContact CA-O 3.32Å; G232-V237 VanDerWaalsContact CA-CG2 3.48Å |
| 233 | W | 78.6 | Confident | 71.4 | Confident | 128 Ų | 128 | 83.9 Ų | 83.9 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72.8 | -37.8 | 173.1 | -179.6 | 69.9 | 0 | 0 | 0 | 113.2 | A229 W230 R231 F1119 | A229-W233 WeakPolarHBondContact O-CB 3.49Å; A229-W233 PolarHBondContact O-N 3.35Å; W230-W233 HydrophobicContact CH2-CZ3 4.4Å; W230-W233 HydrophobicContact CZ3-CE3 4.45Å; W230-W233 HydrophobicContact CZ3-CZ3 4.42Å; R231-W233 PolarHBondContact O-N 3.49Å; W233-F1119 HydrophobicContact CB-CD2 3.66Å; W233-F1119 HydrophobicContact CB-CE2 3.7Å; W233-F1119 HydrophobicContact CD2-CD2 4.09Å; W233-F1119 AromaticContact CG-CD2 3.65Å; W233-F1119 HydrophobicContact CG-CD2 3.65Å; W233-F1119 HydrophobicContact CG-CE2 4.11Å |
| 234 | R | 82.3 | Confident | 72.8 | Confident | 179 Ų | 179 | 82.7 Ų | 82.7 | 68% | 0.675 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -81 | -43.6 | 179.9 | -73.7 | -172.5 | 171.5 | -156.3 | -6.4 | 113.6 | W230 R231 | W230-R234 VanDerWaalsContact CZ2-NH2 3.33Å; W230-R234 PolarHBondContact O-N 3.19Å; R231-R234 PolarHBondContact O-N 2.85Å |
| 235 | R | 75.9 | Confident | 74.3 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 45% | 0.453 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -133.9 | 132.6 | 176.5 | 68.5 | -179.3 | -169.6 | -179.5 | 3.5 | 106.6 | R231 G232 V237 D241 | R231-R235 CarbonylContact C-O 3.31Å; R231-R235 CarbonylContact O-C 3.46Å; R231-R235 PolarHBondContact O-N 2.93Å; G232-R235 CarbonylContact C-O 3.58Å; G232-R235 WeakPolarHBondContact CA-O 3.32Å; R235-V237 PolarHBondContact O-N 3.39Å; R235-D241 IonicContact CZ-OD1 2.63Å; R235-D241 IonicContact CZ-OD2 3.79Å; R235-D241 IonicContact NE-OD2 2.66Å; R235-D241 PolarHBondContact NE-OD2 3.24Å; R235-D241 VanDerWaalsContact NH2-CG 3.29Å; R235-D241 IonicContact NH2-OD1 3.35Å; R235-D241 PolarHBondContact NH2-OD1 3.16Å; R235-D241 IonicContact NH2-OD2 3.89Å; R235-D241 PolarHBondContact NH2-OD2 3.26Å |
| 236 | G | 75.9 | Confident | 75.3 | Confident | 37 Ų | 37 | 78.6 Ų | 78.6 | 38% | 0.381 | 35% | 0.346 | S | S | . | . | trans | -48.3 | 140.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | Q238 | G236-Q238 PolarHBondContact O-N 3.06Š| ||
| 237 | V | 78.6 | Confident | 76.1 | Confident | 9 Ų | 9 | 77.5 Ų | 77.5 | 6% | 0.055 | 35% | 0.345 | C | S | . | . | trans | -60.3 | 129.7 | -177.3 | -178 | 0 | 0 | 0 | 0 | 109.4 | I228 G232 R235 D241 L242 T1123 Q1126 L1127 M1130 | I228-V237 HydrophobicContact CG2-CG1 4.49Å; I228-V237 HydrophobicContact CG2-CG2 4.31Å; G232-V237 VanDerWaalsContact CA-CG2 3.48Å; R235-V237 PolarHBondContact O-N 3.39Å; V237-D241 HydrophobicContact CG1-CB 4.23Å; V237-L242 HydrophobicContact CG1-CD2 4.14Å; V237-T1123 HydrophobicContact CG2-CG2 4.26Å; V237-Q1126 HydrophobicContact CB-CB 4.38Å; V237-L1127 HydrophobicContact CG1-CD2 4.2Å; V237-M1130 HydrophobicContact CB-SD 4.14Å; V237-M1130 HydrophobicContact CG1-SD 3.97Å; V237-M1130 VanDerWaalsContact O-SD 3.39Å | ||
| 238 | Q | 77 | Confident | 76.6 | Confident | 104 Ų | 104 | 71.6 Ų | 71.6 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | trans | -107.9 | 165 | 176.6 | -67.3 | -178.8 | -21.2 | 0 | 0 | 111.1 | G236 E240 D241 | G236-Q238 PolarHBondContact O-N 3.06Å; Q238-E240 PolarHBondContact O-N 3.22Å; Q238-D241 WeakPolarHBondContact O-CB 3.39Å; Q238-D241 PolarHBondContact O-N 3.08Å | ||
| 239 | K | 73.1 | Confident | 77.1 | Confident | 125 Ų | 125 | 71.3 Ų | 71.3 | 54% | 0.543 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -55.9 | -34.2 | 179.8 | -170.4 | 173.7 | -179.7 | 173.4 | 0 | 112.7 | D241 L242 E1171 | K239-D241 VanDerWaalsContact C-N 3.31Å; K239-D241 PolarHBondContact O-N 3.24Å; K239-L242 HydrophobicContact CG-CD1 4.4Å; K239-L242 WeakPolarHBondContact O-CB 3.39Å; K239-L242 PolarHBondContact O-N 2.97Å; K239-E1171 IonicContact NZ-OE1 2.95Å; K239-E1171 PolarHBondContact NZ-OE1 2.83Å; K239-E1171 IonicContact NZ-OE2 3.11Å |
| 240 | E | 74.4 | Confident | 77.9 | Confident | 173 Ų | 173 | 72 Ų | 72 | 81% | 0.808 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -70.8 | -23.2 | 178.6 | -60 | 176.4 | -167.2 | 0 | 0 | 114 | Q238 L242 | Q238-E240 PolarHBondContact O-N 3.22Å; E240-L242 VanDerWaalsContact C-N 3.3Å |
| 241 | D | 74.6 | Confident | 78.6 | Confident | 9 Ų | 9 | 66.8 Ų | 66.8 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -81.9 | -11.1 | 179.7 | -79.3 | -41.3 | 0 | 0 | 0 | 112.7 | I228 R231 R235 V237 Q238 K239 | I228-D241 VanDerWaalsContact CD1-O 3.31Å; I228-D241 WeakPolarHBondContact CD1-O 3.43Å; R231-D241 VanDerWaalsContact CD-OD1 3.29Å; R231-D241 WeakPolarHBondContact CD-OD1 3.49Å; R231-D241 IonicContact CZ-OD1 2.65Å; R231-D241 IonicContact NE-OD1 2.8Å; R231-D241 IonicContact NH1-OD1 3.6Å; R231-D241 PolarHBondContact NH1-OD1 3.33Å; R235-D241 IonicContact CZ-OD1 2.63Å; R235-D241 IonicContact CZ-OD2 3.79Å; R235-D241 IonicContact NE-OD2 2.66Å; R235-D241 PolarHBondContact NE-OD2 3.24Å; R235-D241 VanDerWaalsContact NH2-CG 3.29Å; R235-D241 IonicContact NH2-OD1 3.35Å; R235-D241 PolarHBondContact NH2-OD1 3.16Å; R235-D241 IonicContact NH2-OD2 3.89Å; R235-D241 PolarHBondContact NH2-OD2 3.26Å; V237-D241 HydrophobicContact CG1-CB 4.23Å; Q238-D241 WeakPolarHBondContact O-CB 3.39Å; Q238-D241 PolarHBondContact O-N 3.08Å; K239-D241 VanDerWaalsContact C-N 3.31Å; K239-D241 PolarHBondContact O-N 3.24Å |
| 242 | L | 77.1 | Confident | 79.1 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 9% | 0.094 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -74.6 | 153.4 | -177.6 | -60 | 171.1 | 0 | 0 | 0 | 112.3 | V237 K239 E240 L1127 M1130 M1174 N1175 P1178 | V237-L242 HydrophobicContact CG1-CD2 4.14Å; K239-L242 HydrophobicContact CG-CD1 4.4Å; K239-L242 WeakPolarHBondContact O-CB 3.39Å; K239-L242 PolarHBondContact O-N 2.97Å; E240-L242 VanDerWaalsContact C-N 3.3Å; L242-L1127 HydrophobicContact CD2-CD2 4.24Å; L242-M1130 HydrophobicContact CD1-CE 3.7Å; L242-M1130 HydrophobicContact CD2-CE 4.21Å; L242-M1130 HydrophobicContact CG-CE 4.1Å; L242-M1174 HydrophobicContact CB-CE 4.41Å; L242-N1175 WeakPolarHBondContact CD1-OD1 3.38Å; L242-P1178 HydrophobicContact CD2-CG 4.36Å |
| 243 | W | 78.6 | Confident | 79.6 | Confident | 77 Ų | 77 | 71 Ų | 71 | 29% | 0.292 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 135.3 | 172.9 | -57.3 | -40.7 | 0 | 0 | 0 | 110.6 | R225 I228 F1177 P1178 | R225-W243 HydrophobicContact CB-CH2 3.67Å; R225-W243 HydrophobicContact CB-CZ2 3.64Å; R225-W243 HydrophobicContact CG-CH2 3.92Å; R225-W243 HydrophobicContact CG-CZ2 3.82Å; I228-W243 HydrophobicContact CB-CZ2 4.33Å; I228-W243 HydrophobicContact CD1-CD2 3.67Å; I228-W243 HydrophobicContact CD1-CE3 4.25Å; I228-W243 HydrophobicContact CD1-CG 4.1Å; I228-W243 HydrophobicContact CD1-CH2 3.97Å; I228-W243 HydrophobicContact CD1-CZ2 3.37Å; I228-W243 HydrophobicContact CD1-CZ3 4.38Å; I228-W243 VanDerWaalsContact CD1-NE1 3.34Å; I228-W243 HydrophobicContact CG1-CZ2 3.71Å; W243-F1177 HydrophobicContact CE3-CD1 4.04Å; W243-F1177 HydrophobicContact CE3-CE1 4.19Å; W243-F1177 HydrophobicContact CZ3-CD1 4.32Å; W243-F1177 HydrophobicContact CZ3-CE1 4.33Å; W243-P1178 HydrophobicContact CE3-CG 4Å; W243-P1178 HydrophobicContact CZ3-CB 4.18Å; W243-P1178 HydrophobicContact CZ3-CG 4.15Å |
| 244 | L | 77.3 | Confident | 80.2 | Confident | 101 Ų | 101 | 65.3 Ų | 65.3 | 53% | 0.529 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 140.6 | 161.5 | -66 | 171.1 | 0 | 0 | 0 | 109.2 | F201 I205 M1174 | F201-L244 HydrophobicContact CE1-CD1 4.48Å; I205-L244 HydrophobicContact CD1-CD1 4.46Å; L244-M1174 HydrophobicContact CD2-CE 3.95Å; L244-M1174 HydrophobicContact CD2-SD 4.39Å |
| 245 | L | 77.4 | Confident | 80.6 | Confident | 24 Ų | 24 | 58 Ų | 58 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 146.4 | 174.6 | -66.5 | 167.2 | 0 | 0 | 0 | 110.5 | T250 N1170 Q1173 M1174 | L245-T250 HydrophobicContact CB-CG2 4.14Å; L245-N1170 HydrophobicContact CD1-CB 3.89Å; L245-N1170 WeakPolarHBondContact CD1-O 3.4Å; L245-Q1173 HydrophobicContact CD1-CB 3.91Å; L245-Q1173 HydrophobicContact CD2-CB 3.96Å; L245-M1174 HydrophobicContact CD1-CG 4.17Å; L245-M1174 HydrophobicContact CD2-CG 4.36Å; L245-M1174 HydrophobicContact CG-CG 3.73Å |
| 246 | L | 76.3 | Confident | 81.2 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 144.9 | 168 | -69.7 | 158.2 | 0 | 0 | 0 | 108.2 | K248 D249 T250 | L246-K248 HydrophobicContact CB-CG 4.13Å; L246-K248 PolarHBondContact O-N 3.13Å; L246-K248 VanDerWaalsContact O-N 3.08Å; L246-D249 PolarHBondContact O-N 2.95Å; L246-T250 PolarHBondContact O-N 3.43Å |
| 247 | P | 76.2 | Confident | 81.8 | Confident | 40 Ų | 40 | 60.9 Ų | 60.9 | 26% | 0.26 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -49.4 | -41.9 | -178.9 | -28.4 | 34.3 | 0 | 0 | 0 | 113.1 | D249 T250 E253 | P247-D249 PolarHBondContact O-N 2.77Å; P247-T250 WeakPolarHBondContact O-CB 3.33Å; P247-T250 PolarHBondContact O-N 3.11Å; P247-T250 PolarHBondContact O-OG1 3.14Å; P247-E253 WeakPolarHBondContact CB-OE1 3.26Å; P247-E253 VanDerWaalsContact O-OE2 3.09Å |
| 248 | K | 78.9 | Confident | 82.4 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 27% | 0.274 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -63.7 | -19.4 | 177.8 | 69.3 | 174.1 | -165.1 | 165.1 | 0 | 116.1 | S212 L246 E253 L254 | S212-K248 WeakPolarHBondContact OG-CE 3.27Å; S212-K248 PolarHBondContact OG-NZ 2.89Å; L246-K248 HydrophobicContact CB-CG 4.13Å; L246-K248 PolarHBondContact O-N 3.13Å; L246-K248 VanDerWaalsContact O-N 3.08Å; K248-E253 WeakPolarHBondContact CA-OE2 3.46Å; K248-E253 PolarHBondContact N-OE2 3.43Å; K248-E253 VanDerWaalsContact N-OE2 3.11Å; K248-L254 WeakPolarHBondContact O-CD2 3.31Å |
| 249 | D | 83.6 | Confident | 82.9 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -103.3 | 1.8 | 177.1 | -54.9 | -49.6 | 0 | 0 | 0 | 111.2 | L246 P247 R382 M385 N386 | L246-D249 PolarHBondContact O-N 2.95Å; P247-D249 PolarHBondContact O-N 2.77Å; D249-R382 IonicContact OD1-CZ 2.78Å; D249-R382 IonicContact OD1-NE 2.98Å; D249-R382 PolarHBondContact OD1-NE 3.37Å; D249-R382 IonicContact OD1-NH2 3.67Å; D249-R382 PolarHBondContact OD1-NH2 2.93Å; D249-R382 IonicContact OD2-CZ 2.61Å; D249-R382 IonicContact OD2-NE 3.2Å; D249-R382 IonicContact OD2-NH2 3.76Å; D249-R382 PolarHBondContact OD2-NH2 3.4Å; D249-M385 HydrophobicContact CB-CE 4.27Å; D249-N386 PolarHBondContact OD1-ND2 3.18Å |
| 250 | T | 88.7 | Confident | 83.6 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -76 | 145.7 | 174.6 | 65.2 | 0 | 0 | 0 | 0 | 110.7 | L245 L246 P247 E252 E253 L254 | L245-T250 HydrophobicContact CB-CG2 4.14Å; L246-T250 PolarHBondContact O-N 3.43Å; P247-T250 WeakPolarHBondContact O-CB 3.33Å; P247-T250 PolarHBondContact O-N 3.11Å; P247-T250 PolarHBondContact O-OG1 3.14Å; T250-E252 PolarHBondContact O-N 2.76Å; T250-E253 PolarHBondContact O-N 3.16Å; T250-L254 WeakPolarHBondContact O-CB 3.41Å; T250-L254 WeakPolarHBondContact O-CG 3.45Å; T250-L254 PolarHBondContact O-N 3.29Å; T250-L254 VanDerWaalsContact O-N 3.08Å |
| 251 | V | 91.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.5 | -36.4 | 179.8 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | L254 R255 D1166 I1169 N1170 | V251-L254 PolarHBondContact O-N 2.79Å; V251-R255 WeakPolarHBondContact O-CB 3.06Å; V251-R255 PolarHBondContact O-N 3.15Å; V251-D1166 HydrophobicContact CB-CB 4.26Å; V251-D1166 HydrophobicContact CG1-CB 4.03Å; V251-D1166 VanDerWaalsContact CG1-OD1 3.27Å; V251-D1166 WeakPolarHBondContact CG1-OD1 3.42Å; V251-I1169 HydrophobicContact CG2-CB 3.8Å; V251-I1169 HydrophobicContact CG2-CG2 3.39Å; V251-N1170 VanDerWaalsContact CG2-OD1 3.27Å; V251-N1170 WeakPolarHBondContact CG2-OD1 3.36Å; V251-N1170 PolarHBondContact N-OD1 2.98Å |
| 252 | E | 88.2 | Confident | 84.9 | Confident | 114 Ų | 114 | 49.6 Ų | 49.6 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.9 | -49.6 | -177.6 | -171.8 | 172.4 | -169.3 | 0 | 0 | 112.6 | T250 Q256 | T250-E252 PolarHBondContact O-N 2.76Å; E252-Q256 WeakPolarHBondContact O-CG 3.4Å; E252-Q256 PolarHBondContact O-N 2.62Å; E252-Q256 VanDerWaalsContact O-N 3.09Å |
| 253 | E | 88.4 | Confident | 85.3 | Confident | 86 Ų | 86 | 53.1 Ų | 53.1 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 177 | -71 | -169 | -173.5 | 0 | 0 | 111.6 | P247 K248 T250 R255 Q256 K257 | P247-E253 WeakPolarHBondContact CB-OE1 3.26Å; P247-E253 VanDerWaalsContact O-OE2 3.09Å; K248-E253 WeakPolarHBondContact CA-OE2 3.46Å; K248-E253 PolarHBondContact N-OE2 3.43Å; K248-E253 VanDerWaalsContact N-OE2 3.11Å; T250-E253 PolarHBondContact O-N 3.16Å; E253-R255 VanDerWaalsContact C-N 3.34Å; E253-R255 PolarHBondContact O-N 2.89Å; E253-Q256 PolarHBondContact O-N 3.45Å; E253-K257 PolarHBondContact O-N 3.16Å; E253-K257 VanDerWaalsContact O-N 3.16Å |
| 254 | L | 90.8 | Very high | 85.6 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 178.3 | -71.5 | 175.7 | 0 | 0 | 0 | 111.9 | K248 T250 V251 K257 W258 F313 N386 I390 | K248-L254 WeakPolarHBondContact O-CD2 3.31Å; T250-L254 WeakPolarHBondContact O-CB 3.41Å; T250-L254 WeakPolarHBondContact O-CG 3.45Å; T250-L254 PolarHBondContact O-N 3.29Å; T250-L254 VanDerWaalsContact O-N 3.08Å; V251-L254 PolarHBondContact O-N 2.79Å; L254-K257 PolarHBondContact O-N 3.33Å; L254-W258 WeakPolarHBondContact O-CB 2.87Å; L254-W258 PolarHBondContact O-N 3.49Å; L254-F313 HydrophobicContact CD2-CE1 4.43Å; L254-F313 HydrophobicContact CD2-CZ 4.29Å; L254-N386 HydrophobicContact CD1-CB 3.82Å; L254-N386 HydrophobicContact CD2-CB 4.15Å; L254-I390 HydrophobicContact CB-CD1 4.23Å; L254-I390 HydrophobicContact CB-CG1 3.84Å; L254-I390 HydrophobicContact CD2-CD1 4.44Å |
| 255 | R | 89.2 | Confident | 85.8 | Confident | 25 Ų | 25 | 50 Ų | 50 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.5 | -43.6 | 178.4 | -176.1 | -177.6 | 68.5 | -159.4 | -5.7 | 111.9 | V251 E253 K257 W258 E259 S393 R1162 D1166 | V251-R255 WeakPolarHBondContact O-CB 3.06Å; V251-R255 PolarHBondContact O-N 3.15Å; E253-R255 VanDerWaalsContact C-N 3.34Å; E253-R255 PolarHBondContact O-N 2.89Å; R255-K257 VanDerWaalsContact C-N 3.27Å; R255-K257 PolarHBondContact O-N 2.88Å; R255-W258 PolarHBondContact O-N 3.26Å; R255-E259 WeakPolarHBondContact CD-OE1 3.3Å; R255-E259 HydrophobicContact CG-CG 4.09Å; R255-E259 WeakPolarHBondContact CG-OE1 3.42Å; R255-E259 IonicContact NE-OE1 3.34Å; R255-E259 PolarHBondContact NE-OE1 3.09Å; R255-E259 WeakPolarHBondContact O-CB 3.41Å; R255-E259 WeakPolarHBondContact O-CG 3.46Å; R255-E259 PolarHBondContact O-N 3.02Å; R255-S393 WeakPolarHBondContact CD-OG 3.37Å; R255-R1162 VanDerWaalsContact CZ-NH2 3.29Å; R255-D1166 IonicContact CZ-OD2 3.11Å; R255-D1166 IonicContact NH1-OD1 3.87Å; R255-D1166 PolarHBondContact NH1-OD1 3.22Å; R255-D1166 IonicContact NH1-OD2 3.7Å; R255-D1166 PolarHBondContact NH1-OD2 2.88Å; R255-D1166 IonicContact NH2-OD2 3.69Å |
| 256 | Q | 89.2 | Confident | 85.8 | Confident | 117 Ų | 117 | 50.1 Ų | 50.1 | 55% | 0.547 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.2 | -44 | 175.6 | -74.9 | 175.7 | 4.8 | 0 | 0 | 111.3 | E252 E253 S260 | E252-Q256 WeakPolarHBondContact O-CG 3.4Å; E252-Q256 PolarHBondContact O-N 2.62Å; E252-Q256 VanDerWaalsContact O-N 3.09Å; E253-Q256 PolarHBondContact O-N 3.45Å; Q256-S260 WeakPolarHBondContact O-CB 3.26Å; Q256-S260 PolarHBondContact O-N 3.39Å; Q256-S260 VanDerWaalsContact O-N 3.08Å; Q256-S260 PolarHBondContact O-OG 3.3Å |
| 257 | K | 88.9 | Confident | 85.7 | Confident | 100 Ų | 100 | 53.2 Ų | 53.2 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 175.1 | -170 | 179.9 | -172.8 | -179.2 | 0 | 111.5 | E253 L254 R255 S260 L261 C312 | E253-K257 PolarHBondContact O-N 3.16Å; E253-K257 VanDerWaalsContact O-N 3.16Å; L254-K257 PolarHBondContact O-N 3.33Å; R255-K257 VanDerWaalsContact C-N 3.27Å; R255-K257 PolarHBondContact O-N 2.88Å; K257-S260 PolarHBondContact O-OG 3.23Å; K257-L261 PolarHBondContact O-N 2.65Å; K257-C312 WeakPolarHBondContact CE-O 3.32Å; K257-C312 PolarHBondContact NZ-O 2.97Å |
| 258 | W | 90.9 | Very high | 85.7 | Confident | 9 Ų | 9 | 60 Ų | 60 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.1 | -53.4 | 177.4 | 165.3 | -104.6 | 0 | 0 | 0 | 112.6 | L254 R255 S260 L261 W262 L305 T308 L309 I390 L625 | L254-W258 WeakPolarHBondContact O-CB 2.87Å; L254-W258 PolarHBondContact O-N 3.49Å; R255-W258 PolarHBondContact O-N 3.26Å; W258-S260 VanDerWaalsContact C-N 3.31Å; W258-S260 PolarHBondContact O-N 2.96Å; W258-L261 PolarHBondContact O-N 2.7Å; W258-L261 VanDerWaalsContact O-N 3.16Å; W258-W262 HydrophobicContact CD2-CB 4.33Å; W258-W262 HydrophobicContact CH2-CB 4.28Å; W258-W262 AromaticContact CH2-CD2 3.86Å; W258-W262 HydrophobicContact CH2-CD2 3.86Å; W258-W262 AromaticContact CH2-CE3 3.41Å; W258-W262 HydrophobicContact CH2-CE3 3.41Å; W258-W262 VanDerWaalsContact CH2-CE3 3.41Å; W258-W262 HydrophobicContact CH2-CG 4.24Å; W258-W262 HydrophobicContact CH2-CZ3 4.04Å; W258-W262 HydrophobicContact CZ2-CB 3.86Å; W258-W262 AromaticContact CZ2-CD2 3.59Å; W258-W262 HydrophobicContact CZ2-CD2 3.59Å; W258-W262 AromaticContact CZ2-CE3 3.68Å; W258-W262 HydrophobicContact CZ2-CE3 3.68Å; W258-W262 AromaticContact CZ2-CG 3.68Å; W258-W262 HydrophobicContact CZ2-CG 3.68Å; W258-W262 HydrophobicContact CZ2-CZ3 4.45Å; W258-W262 HydrophobicContact CZ3-CE3 4.37Å; W258-W262 WeakPolarHBondContact O-CB 3.37Å; W258-W262 PolarHBondContact O-N 2.92Å; W258-L305 HydrophobicContact CH2-CD1 3.31Å; W258-L305 HydrophobicContact CZ2-CD1 4.04Å; W258-L305 HydrophobicContact CZ3-CD1 4.08Å; W258-T308 HydrophobicContact CE3-CG2 4.07Å; W258-T308 HydrophobicContact CH2-CG2 4.07Å; W258-T308 HydrophobicContact CZ3-CG2 3.5Å; W258-L309 HydrophobicContact CE3-CD2 3.92Å; W258-L309 HydrophobicContact CH2-CD2 4.37Å; W258-L309 HydrophobicContact CZ3-CD2 3.57Å; W258-L309 HydrophobicContact CZ3-CG 4.07Å; W258-I390 HydrophobicContact CB-CD1 4.5Å; W258-I390 HydrophobicContact CB-CG1 4.43Å; W258-I390 HydrophobicContact CB-CG2 3.68Å; W258-I390 HydrophobicContact CD2-CG2 3.5Å; W258-I390 VanDerWaalsContact CD2-CG2 3.5Å; W258-I390 HydrophobicContact CE3-CG2 3.82Å; W258-I390 HydrophobicContact CG-CG2 3.41Å; W258-I390 VanDerWaalsContact CG-CG2 3.41Å; W258-L625 HydrophobicContact CZ2-CD1 4.47Å |
| 259 | E | 88 | Confident | 85.3 | Confident | 30 Ų | 30 | 59.9 Ų | 59.9 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.2 | -43 | -178.7 | -80.6 | -174.5 | -127.9 | 0 | 0 | 111.7 | R255 L261 W262 K263 R1162 | R255-E259 WeakPolarHBondContact CD-OE1 3.3Å; R255-E259 HydrophobicContact CG-CG 4.09Å; R255-E259 WeakPolarHBondContact CG-OE1 3.42Å; R255-E259 IonicContact NE-OE1 3.34Å; R255-E259 PolarHBondContact NE-OE1 3.09Å; R255-E259 WeakPolarHBondContact O-CB 3.41Å; R255-E259 WeakPolarHBondContact O-CG 3.46Å; R255-E259 PolarHBondContact O-N 3.02Å; E259-L261 VanDerWaalsContact C-N 3.29Å; E259-L261 PolarHBondContact O-N 2.92Å; E259-W262 PolarHBondContact O-N 3.38Å; E259-K263 WeakPolarHBondContact O-CB 3.36Å; E259-K263 VanDerWaalsContact O-CG 3.3Å; E259-K263 WeakPolarHBondContact O-CG 3.46Å; E259-K263 PolarHBondContact O-N 3.16Å; E259-K263 IonicContact OE2-NZ 2.93Å; E259-K263 PolarHBondContact OE2-NZ 2.65Å; E259-R1162 IonicContact OE1-CZ 2.71Å; E259-R1162 IonicContact OE1-NH2 2.68Å; E259-R1162 PolarHBondContact OE1-NH2 3.23Å |
| 260 | S | 88.5 | Confident | 84.6 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 179 | 72.3 | 0 | 0 | 0 | 0 | 112.1 | Q256 K257 W258 T264 | Q256-S260 WeakPolarHBondContact O-CB 3.26Å; Q256-S260 PolarHBondContact O-N 3.39Å; Q256-S260 VanDerWaalsContact O-N 3.08Å; Q256-S260 PolarHBondContact O-OG 3.3Å; K257-S260 PolarHBondContact O-OG 3.23Å; W258-S260 VanDerWaalsContact C-N 3.31Å; W258-S260 PolarHBondContact O-N 2.96Å; S260-T264 WeakPolarHBondContact O-CB 3.25Å; S260-T264 PolarHBondContact O-N 3.29Å; S260-T264 PolarHBondContact O-OG1 3.21Å |
| 261 | L | 88.7 | Confident | 83.6 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -76.4 | -43.1 | 179.9 | -69 | 172.1 | 0 | 0 | 0 | 111.9 | K257 W258 E259 K265 T308 D311 C312 | K257-L261 PolarHBondContact O-N 2.65Å; W258-L261 PolarHBondContact O-N 2.7Å; W258-L261 VanDerWaalsContact O-N 3.16Å; E259-L261 VanDerWaalsContact C-N 3.29Å; E259-L261 PolarHBondContact O-N 2.92Å; L261-K265 WeakPolarHBondContact O-CG 3.38Å; L261-K265 PolarHBondContact O-N 2.94Å; L261-K265 VanDerWaalsContact O-N 3.13Å; L261-T308 HydrophobicContact CB-CG2 3.94Å; L261-D311 HydrophobicContact CD1-CB 4.44Å; L261-C312 VanDerWaalsContact CD1-SG 3.57Å |
| 262 | W | 87.6 | Confident | 82.3 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 11% | 0.106 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.6 | -47.3 | -179.3 | -176 | -107.5 | 0 | 0 | 0 | 111.9 | W258 E259 T264 K265 S266 P303 L305 T308 L625 | W258-W262 HydrophobicContact CD2-CB 4.33Å; W258-W262 HydrophobicContact CH2-CB 4.28Å; W258-W262 AromaticContact CH2-CD2 3.86Å; W258-W262 HydrophobicContact CH2-CD2 3.86Å; W258-W262 AromaticContact CH2-CE3 3.41Å; W258-W262 HydrophobicContact CH2-CE3 3.41Å; W258-W262 VanDerWaalsContact CH2-CE3 3.41Å; W258-W262 HydrophobicContact CH2-CG 4.24Å; W258-W262 HydrophobicContact CH2-CZ3 4.04Å; W258-W262 HydrophobicContact CZ2-CB 3.86Å; W258-W262 AromaticContact CZ2-CD2 3.59Å; W258-W262 HydrophobicContact CZ2-CD2 3.59Å; W258-W262 AromaticContact CZ2-CE3 3.68Å; W258-W262 HydrophobicContact CZ2-CE3 3.68Å; W258-W262 AromaticContact CZ2-CG 3.68Å; W258-W262 HydrophobicContact CZ2-CG 3.68Å; W258-W262 HydrophobicContact CZ2-CZ3 4.45Å; W258-W262 HydrophobicContact CZ3-CE3 4.37Å; W258-W262 WeakPolarHBondContact O-CB 3.37Å; W258-W262 PolarHBondContact O-N 2.92Å; E259-W262 PolarHBondContact O-N 3.38Å; W262-T264 PolarHBondContact O-N 3.07Å; W262-K265 PolarHBondContact O-N 2.96Å; W262-S266 VanDerWaalsContact O-CB 3.27Å; W262-S266 WeakPolarHBondContact O-CB 3.46Å; W262-S266 PolarHBondContact O-N 3.34Å; W262-P303 HydrophobicContact CH2-CB 4.22Å; W262-P303 HydrophobicContact CH2-CG 3.96Å; W262-P303 HydrophobicContact CZ2-CG 4.35Å; W262-P303 HydrophobicContact CZ3-CB 4.2Å; W262-P303 HydrophobicContact CZ3-CG 4.42Å; W262-L305 HydrophobicContact CZ3-CB 4.49Å; W262-L305 HydrophobicContact CZ3-CD1 4.42Å; W262-T308 HydrophobicContact CE3-CG2 4.25Å; W262-L625 HydrophobicContact CZ2-CB 3.91Å; W262-L625 HydrophobicContact CZ2-CD1 4.33Å |
| 263 | K | 84.4 | Confident | 81 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 40% | 0.404 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 176.5 | -72.4 | 176.7 | 177.1 | 165.2 | 0 | 111.2 | E259 K265 S266 Q267 | E259-K263 WeakPolarHBondContact O-CB 3.36Å; E259-K263 VanDerWaalsContact O-CG 3.3Å; E259-K263 WeakPolarHBondContact O-CG 3.46Å; E259-K263 PolarHBondContact O-N 3.16Å; E259-K263 IonicContact OE2-NZ 2.93Å; E259-K263 PolarHBondContact OE2-NZ 2.65Å; K263-K265 VanDerWaalsContact C-N 3.32Å; K263-K265 PolarHBondContact O-N 3.26Å; K263-S266 PolarHBondContact O-N 3.03Å; K263-Q267 VanDerWaalsContact O-CB 3.25Å; K263-Q267 WeakPolarHBondContact O-CB 2.93Å; K263-Q267 VanDerWaalsContact O-CG 3.3Å; K263-Q267 WeakPolarHBondContact O-CG 3.48Å; K263-Q267 PolarHBondContact O-N 2.77Å |
| 264 | T | 84.3 | Confident | 79.5 | Confident | 62 Ų | 62 | 68 Ų | 68 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 177.1 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | S260 W262 R268 | S260-T264 WeakPolarHBondContact O-CB 3.25Å; S260-T264 PolarHBondContact O-N 3.29Å; S260-T264 PolarHBondContact O-OG1 3.21Å; W262-T264 PolarHBondContact O-N 3.07Å; T264-R268 WeakPolarHBondContact O-CD 3.48Å; T264-R268 WeakPolarHBondContact O-CG 3.46Å; T264-R268 PolarHBondContact O-N 3.11Å |
| 265 | K | 82.4 | Confident | 77.9 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.8 | -39.2 | 178.9 | -71.8 | -179.1 | -177.8 | -175.1 | 0 | 112.8 | L261 W262 K263 F269 P303 T308 D311 | L261-K265 WeakPolarHBondContact O-CG 3.38Å; L261-K265 PolarHBondContact O-N 2.94Å; L261-K265 VanDerWaalsContact O-N 3.13Å; W262-K265 PolarHBondContact O-N 2.96Å; K263-K265 VanDerWaalsContact C-N 3.32Å; K263-K265 PolarHBondContact O-N 3.26Å; K265-F269 PolarHBondContact O-N 3.35Å; K265-P303 HydrophobicContact CB-CB 4.37Å; K265-T308 HydrophobicContact CD-CG2 4.27Å; K265-T308 WeakPolarHBondContact CD-OG1 3.47Å; K265-T308 PolarHBondContact NZ-OG1 3.42Å; K265-T308 VanDerWaalsContact NZ-OG1 3.09Å; K265-D311 IonicContact NZ-OD2 3.97Å; K265-D311 PolarHBondContact NZ-OD2 3.49Å |
| 266 | S | 76.7 | Confident | 76 | Confident | 26 Ų | 26 | 76.8 Ų | 76.8 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.6 | -43.6 | 178.6 | -175.3 | 0 | 0 | 0 | 0 | 112 | W262 K263 R268 F269 L270 | W262-S266 VanDerWaalsContact O-CB 3.27Å; W262-S266 WeakPolarHBondContact O-CB 3.46Å; W262-S266 PolarHBondContact O-N 3.34Å; K263-S266 PolarHBondContact O-N 3.03Å; S266-R268 VanDerWaalsContact C-N 3.34Å; S266-R268 PolarHBondContact O-N 3.18Å; S266-F269 CarbonylContact O-C 3.59Å; S266-F269 WeakPolarHBondContact O-CA 3.48Å; S266-F269 WeakPolarHBondContact O-CB 2.85Å; S266-F269 PolarHBondContact O-N 3.18Å; S266-L270 PolarHBondContact O-N 3.31Å |
| 267 | Q | 75.3 | Confident | 74.1 | Confident | 112 Ų | 112 | 78 Ų | 78 | 52% | 0.523 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 174.5 | -75.6 | 176.7 | -17.3 | 0 | 0 | 112.3 | K263 F269 L270 N271 | K263-Q267 VanDerWaalsContact O-CB 3.25Å; K263-Q267 WeakPolarHBondContact O-CB 2.93Å; K263-Q267 VanDerWaalsContact O-CG 3.3Å; K263-Q267 WeakPolarHBondContact O-CG 3.48Å; K263-Q267 PolarHBondContact O-N 2.77Å; Q267-F269 PolarHBondContact O-N 3.01Å; Q267-L270 PolarHBondContact O-N 3.21Å; Q267-N271 VanDerWaalsContact O-CB 3.28Å; Q267-N271 WeakPolarHBondContact O-CB 3.08Å; Q267-N271 PolarHBondContact O-N 3.43Å; Q267-N271 PolarHBondContact O-OD1 2.81Å |
| 268 | R | 75.7 | Confident | 72.1 | Confident | 183 Ų | 183 | 78.5 Ų | 78.5 | 69% | 0.691 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.7 | -35.8 | 173.2 | -76 | 173.7 | -177 | -174 | 1.3 | 112.2 | T264 S266 A272 | T264-R268 WeakPolarHBondContact O-CD 3.48Å; T264-R268 WeakPolarHBondContact O-CG 3.46Å; T264-R268 PolarHBondContact O-N 3.11Å; S266-R268 VanDerWaalsContact C-N 3.34Å; S266-R268 PolarHBondContact O-N 3.18Å; R268-A272 WeakPolarHBondContact O-CB 3.1Å; R268-A272 PolarHBondContact O-N 3.46Å |
| 269 | F | 71.6 | Confident | 70.1 | Confident | 61 Ų | 61 | 81.6 Ų | 81.6 | 27% | 0.268 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71 | -48.5 | 175.6 | 175.3 | -97.4 | 0 | 0 | 0 | 111.8 | K265 S266 Q267 A272 Q273 K300 | K265-F269 PolarHBondContact O-N 3.35Å; S266-F269 CarbonylContact O-C 3.59Å; S266-F269 WeakPolarHBondContact O-CA 3.48Å; S266-F269 WeakPolarHBondContact O-CB 2.85Å; S266-F269 PolarHBondContact O-N 3.18Å; Q267-F269 PolarHBondContact O-N 3.01Å; F269-A272 WeakPolarHBondContact O-CB 3.08Å; F269-A272 PolarHBondContact O-N 2.78Å; F269-Q273 PolarHBondContact O-N 3.5Å; F269-K300 WeakPolarHBondContact CE2-O 2.95Å |
| 270 | L | 68 | Low | 68.2 | Low | 74 Ų | 74 | 85.7 Ų | 85.7 | 39% | 0.387 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 178 | -72.5 | 167.5 | 0 | 0 | 0 | 112.4 | S266 Q267 A272 Q273 H274 | S266-L270 PolarHBondContact O-N 3.31Å; Q267-L270 PolarHBondContact O-N 3.21Å; L270-A272 VanDerWaalsContact C-N 3.3Å; L270-A272 PolarHBondContact O-N 3Å; L270-Q273 WeakPolarHBondContact O-CB 3.08Å; L270-Q273 PolarHBondContact O-N 3.4Å; L270-Q273 VanDerWaalsContact O-N 3.08Å; L270-H274 PolarHBondContact O-CD2 3.33Å; L270-H274 PolarHBondContact O-N 2.67Å |
| 271 | N | 68.1 | Low | 66.3 | Low | 94 Ų | 94 | 87 Ų | 87 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 177.4 | -69.8 | -4.6 | 0 | 0 | 0 | 111.4 | Q267 Q273 H274 H275 | Q267-N271 VanDerWaalsContact O-CB 3.28Å; Q267-N271 WeakPolarHBondContact O-CB 3.08Å; Q267-N271 PolarHBondContact O-N 3.43Å; Q267-N271 PolarHBondContact O-OD1 2.81Å; N271-Q273 VanDerWaalsContact C-N 3.3Å; N271-Q273 PolarHBondContact O-N 3.06Å; N271-H274 PolarHBondContact O-N 2.9Å; N271-H275 WeakPolarHBondContact O-CB 3.35Å; N271-H275 PolarHBondContact O-CD2 3.23Å; N271-H275 PolarHBondContact O-N 3.38Å |
| 272 | A | 63.1 | Low | 64.3 | Low | 34 Ų | 34 | 94.2 Ų | 94.2 | 28% | 0.281 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R268 F269 L270 Q276 | R268-A272 WeakPolarHBondContact O-CB 3.1Å; R268-A272 PolarHBondContact O-N 3.46Å; F269-A272 WeakPolarHBondContact O-CB 3.08Å; F269-A272 PolarHBondContact O-N 2.78Å; L270-A272 VanDerWaalsContact C-N 3.3Å; L270-A272 PolarHBondContact O-N 3Å; A272-Q276 PolarHBondContact O-N 2.94Å |
| 273 | Q | 60.8 | Low | 62.2 | Low | 89 Ų | 89 | 99.2 Ų | 99.2 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 176.5 | -162 | -179.3 | 11.9 | 0 | 0 | 112.2 | F269 L270 N271 Q276 K277 | F269-Q273 PolarHBondContact O-N 3.5Å; L270-Q273 WeakPolarHBondContact O-CB 3.08Å; L270-Q273 PolarHBondContact O-N 3.4Å; L270-Q273 VanDerWaalsContact O-N 3.08Å; N271-Q273 VanDerWaalsContact C-N 3.3Å; N271-Q273 PolarHBondContact O-N 3.06Å; Q273-Q276 PolarHBondContact O-N 3.17Å; Q273-K277 PolarHBondContact O-N 3.2Å |
| 274 | H | 58.1 | Low | 60.5 | Low | 116 Ų | 116 | 102.4 Ų | 102.4 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 176.4 | -88 | -73.1 | 0 | 0 | 0 | 112.6 | L270 N271 Q276 K277 L278 | L270-H274 PolarHBondContact O-CD2 3.33Å; L270-H274 PolarHBondContact O-N 2.67Å; N271-H274 PolarHBondContact O-N 2.9Å; H274-Q276 PolarHBondContact O-N 3.49Å; H274-K277 PolarHBondContact O-N 3.11Å; H274-L278 PolarHBondContact O-N 3.21Å |
| 275 | H | 56.6 | Low | 58.9 | Low | 141 Ų | 141 | 108.5 Ų | 108.5 | 65% | 0.653 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.6 | -35.3 | 175.4 | -85.1 | -65.4 | 0 | 0 | 0 | 112.1 | N271 S279 | N271-H275 WeakPolarHBondContact O-CB 3.35Å; N271-H275 PolarHBondContact O-CD2 3.23Å; N271-H275 PolarHBondContact O-N 3.38Å; H275-S279 PolarHBondContact O-N 2.98Å; H275-S279 VanDerWaalsContact O-N 3.11Å |
| 276 | Q | 49 | Very low | 56.9 | Low | 77 Ų | 77 | 115 Ų | 115 | 36% | 0.36 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -70.5 | -42.6 | 177 | -124.8 | 169.1 | -14.8 | 0 | 0 | 112.3 | A272 Q273 H274 L278 S279 I280 | A272-Q276 PolarHBondContact O-N 2.94Å; Q273-Q276 PolarHBondContact O-N 3.17Å; H274-Q276 PolarHBondContact O-N 3.49Å; Q276-L278 VanDerWaalsContact C-N 3.31Å; Q276-L278 PolarHBondContact O-N 3.28Å; Q276-S279 WeakPolarHBondContact CA-OG 3.36Å; Q276-S279 PolarHBondContact O-N 2.93Å; Q276-S279 PolarHBondContact O-OG 3.38Å; Q276-I280 WeakPolarHBondContact O-CD1 3.42Å; Q276-I280 VanDerWaalsContact O-CG1 3.32Å; Q276-I280 WeakPolarHBondContact O-CG1 3.25Å; Q276-I280 PolarHBondContact O-N 3.14Å |
| 277 | K | 49.8 | Very low | 55 | Low | 144 Ų | 144 | 119.9 Ų | 119.9 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.5 | -40.4 | 174.5 | -79.3 | -173.6 | 175.6 | -177.1 | 0 | 112.1 | Q273 H274 I280 | Q273-K277 PolarHBondContact O-N 3.2Å; H274-K277 PolarHBondContact O-N 3.11Å; K277-I280 PolarHBondContact O-N 3.23Å |
| 278 | L | 46.8 | Very low | 53.3 | Low | 110 Ų | 110 | 120.1 Ų | 120.1 | 58% | 0.576 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.3 | -37.7 | 176 | -83.8 | 151.5 | 0 | 0 | 0 | 112.8 | H274 Q276 I280 S281 | H274-L278 PolarHBondContact O-N 3.21Å; Q276-L278 VanDerWaalsContact C-N 3.31Å; Q276-L278 PolarHBondContact O-N 3.28Å; L278-I280 VanDerWaalsContact C-N 3.31Å; L278-I280 PolarHBondContact O-N 3.06Å; L278-S281 PolarHBondContact O-N 3.5Å |
| 279 | S | 48.6 | Very low | 51.9 | Low | 74 Ų | 74 | 117.8 Ų | 117.8 | 52% | 0.517 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.6 | -27.1 | 178.1 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | H275 Q276 | H275-S279 PolarHBondContact O-N 2.98Å; H275-S279 VanDerWaalsContact O-N 3.11Å; Q276-S279 WeakPolarHBondContact CA-OG 3.36Å; Q276-S279 PolarHBondContact O-N 2.93Å; Q276-S279 PolarHBondContact O-OG 3.38Å |
| 280 | I | 49.4 | Very low | 50.5 | Low | 116 Ų | 116 | 118.5 Ų | 118.5 | 60% | 0.595 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -77 | -24.3 | 178.9 | -64.3 | 163.3 | 0 | 0 | 0 | 111.4 | Q276 K277 L278 | Q276-I280 WeakPolarHBondContact O-CD1 3.42Å; Q276-I280 VanDerWaalsContact O-CG1 3.32Å; Q276-I280 WeakPolarHBondContact O-CG1 3.25Å; Q276-I280 PolarHBondContact O-N 3.14Å; K277-I280 PolarHBondContact O-N 3.23Å; L278-I280 VanDerWaalsContact C-N 3.31Å; L278-I280 PolarHBondContact O-N 3.06Å |
| 281 | S | 47.4 | Very low | 49.4 | Very low | 90 Ų | 90 | 121.4 Ų | 121.4 | 63% | 0.629 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -10.2 | -177.2 | -167.6 | 0 | 0 | 0 | 0 | 114.6 | L278 | L278-S281 PolarHBondContact O-N 3.5Š|
| 282 | Y | 47 | Very low | 48.4 | Very low | 204 Ų | 204 | 124.2 Ų | 124.2 | 80% | 0.8 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -104.1 | -4.2 | -173 | -100.9 | -86.9 | 0 | 0 | 0 | 115.1 | ||
| 283 | D | 43.6 | Very low | 47.6 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 71% | 0.711 | 65% | 0.648 | S | S | * | * | trans | -115.9 | 62.5 | -170.4 | -132.6 | -1.9 | 0 | 0 | 0 | 113.1 | K285 | D283-K285 PolarHBondContact O-N 3.33Š| ||
| 284 | N | 48.4 | Very low | 47 | Very low | 160 Ų | 160 | 124 Ų | 124 | 86% | 0.856 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 19.4 | 179.1 | -91.1 | -18.2 | 0 | 0 | 0 | 114.6 | ||
| 285 | K | 50.1 | Low | 46.5 | Very low | 190 Ų | 190 | 122.7 Ų | 122.7 | 83% | 0.826 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 7.8 | -168.8 | -84.6 | -170.8 | 177.5 | -178.6 | 0 | 118.1 | D283 | D283-K285 PolarHBondContact O-N 3.33Š|
| 286 | K | 41 | Very low | 45.9 | Very low | 187 Ų | 187 | 123 Ų | 123 | 81% | 0.813 | 65% | 0.65 | S | S | * | * | trans | -141 | 113.3 | 172.2 | -73 | -172.9 | 178.9 | 176.2 | 0 | 113 | ||||
| 287 | P | 36.8 | Very low | 45.5 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | trans | -95.9 | 97.8 | 177.6 | 34.4 | -24.7 | 0 | 0 | 0 | 109.5 | ||||
| 288 | S | 40.5 | Very low | 45.1 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | trans | 177.7 | 15.6 | 161.6 | 51 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 289 | I | 44.8 | Very low | 45 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -102.9 | 113.6 | 171.8 | -56.1 | 174.8 | 0 | 0 | 0 | 107.5 | L291 V294 | I289-L291 PolarHBondContact O-N 3.04Å; I289-L291 VanDerWaalsContact O-N 3.08Å; I289-V294 HydrophobicContact CG2-CG2 3.62Å |
| 290 | S | 43.2 | Very low | 45.1 | Very low | 76 Ų | 76 | 132.3 Ų | 132.3 | 53% | 0.531 | 68% | 0.675 | S | S | . | * | trans | -53.2 | 117.4 | 179 | 50.4 | 0 | 0 | 0 | 0 | 110.1 | E292 A293 V294 | S290-E292 PolarHBondContact O-N 3.29Å; S290-A293 PolarHBondContact O-N 3.01Å; S290-A293 WeakPolarHBondContact OG-CB 3.47Å; S290-V294 PolarHBondContact O-N 3.48Å | ||
| 291 | L | 45.3 | Very low | 45.5 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 71% | 0.707 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -52.3 | -32.4 | -179.8 | -159.1 | 74.5 | 0 | 0 | 0 | 111 | I289 V294 V295 | I289-L291 PolarHBondContact O-N 3.04Å; I289-L291 VanDerWaalsContact O-N 3.08Å; L291-V294 PolarHBondContact O-N 2.98Å; L291-V295 WeakPolarHBondContact O-CB 3.38Å; L291-V295 WeakPolarHBondContact O-CG2 3.45Å; L291-V295 PolarHBondContact O-N 3.46Å |
| 292 | E | 46 | Very low | 46.2 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 72% | 0.715 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -63.3 | -38.8 | 176 | -67 | -179.3 | 162.3 | 0 | 0 | 113.7 | S290 H296 | S290-E292 PolarHBondContact O-N 3.29Å; E292-H296 VanDerWaalsContact O-CB 3.31Å; E292-H296 WeakPolarHBondContact O-CB 3.15Å; E292-H296 PolarHBondContact O-CD2 2.9Å; E292-H296 PolarHBondContact O-N 2.98Å |
| 293 | A | 46.5 | Very low | 47.4 | Very low | 47 Ų | 47 | 125.8 Ų | 125.8 | 39% | 0.388 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.5 | -32.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S290 R297 | S290-A293 PolarHBondContact O-N 3.01Å; S290-A293 WeakPolarHBondContact OG-CB 3.47Å; A293-R297 WeakPolarHBondContact O-CB 3.45Å; A293-R297 PolarHBondContact O-N 2.84Å; A293-R297 VanDerWaalsContact O-N 3.14Å |
| 294 | V | 48.3 | Very low | 49 | Very low | 72 Ų | 72 | 122 Ų | 122 | 44% | 0.436 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -75.6 | -41.2 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | I289 S290 L291 H296 R297 A298 | I289-V294 HydrophobicContact CG2-CG2 3.62Å; S290-V294 PolarHBondContact O-N 3.48Å; L291-V294 PolarHBondContact O-N 2.98Å; V294-H296 PolarHBondContact O-N 3.33Å; V294-R297 PolarHBondContact O-N 2.95Å; V294-A298 WeakPolarHBondContact O-CB 3.15Å; V294-A298 PolarHBondContact O-N 2.72Å |
| 295 | V | 47.1 | Very low | 50.7 | Low | 87 Ų | 87 | 114.6 Ų | 114.6 | 53% | 0.527 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.4 | -37 | 175.2 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | L291 A298 | L291-V295 WeakPolarHBondContact O-CB 3.38Å; L291-V295 WeakPolarHBondContact O-CG2 3.45Å; L291-V295 PolarHBondContact O-N 3.46Å; V295-A298 PolarHBondContact O-N 2.82Å |
| 296 | H | 44.3 | Very low | 52.4 | Low | 148 Ų | 148 | 110 Ų | 110 | 69% | 0.685 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.2 | -35.3 | 174.9 | -95.6 | -81.4 | 0 | 0 | 0 | 113.7 | E292 V294 A298 | E292-H296 VanDerWaalsContact O-CB 3.31Å; E292-H296 WeakPolarHBondContact O-CB 3.15Å; E292-H296 PolarHBondContact O-CD2 2.9Å; E292-H296 PolarHBondContact O-N 2.98Å; V294-H296 PolarHBondContact O-N 3.33Å; H296-A298 VanDerWaalsContact C-N 3.32Å |
| 297 | R | 40.5 | Very low | 54.5 | Low | 239 Ų | 239 | 104.3 Ų | 104.3 | 90% | 0.902 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -76.6 | -16.1 | 174.2 | -83 | -178.3 | 175.6 | 172.7 | 0 | 113.5 | A293 V294 | A293-R297 WeakPolarHBondContact O-CB 3.45Å; A293-R297 PolarHBondContact O-N 2.84Å; A293-R297 VanDerWaalsContact O-N 3.14Å; V294-R297 PolarHBondContact O-N 2.95Å |
| 298 | A | 41.4 | Very low | 56.9 | Low | 34 Ų | 34 | 98.2 Ų | 98.2 | 28% | 0.281 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | V294 V295 H296 K300 | V294-A298 WeakPolarHBondContact O-CB 3.15Å; V294-A298 PolarHBondContact O-N 2.72Å; V295-A298 PolarHBondContact O-N 2.82Å; H296-A298 VanDerWaalsContact C-N 3.32Å; A298-K300 PolarHBondContact O-N 3.1Å |
| 299 | K | 45.5 | Very low | 59.1 | Low | 170 Ų | 170 | 93.1 Ų | 93.1 | 74% | 0.739 | 47% | 0.474 | S | S | * | . | trans | -74.2 | 69.2 | 172.3 | -74.7 | -176.9 | 179.3 | 175 | 0 | 111.5 | K301 | K299-K301 PolarHBondContact O-N 3.49Š| ||
| 300 | K | 51 | Low | 61.1 | Low | 158 Ų | 158 | 90 Ų | 90 | 69% | 0.687 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 127 | 161.8 | -107.5 | 178.1 | 179.1 | 173.8 | 0 | 107.3 | F269 A298 S302 | F269-K300 WeakPolarHBondContact CE2-O 2.95Å; A298-K300 PolarHBondContact O-N 3.1Å; K300-S302 PolarHBondContact O-N 3.41Å |
| 301 | K | 57 | Low | 63.1 | Low | 196 Ų | 196 | 89.3 Ų | 89.3 | 85% | 0.852 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 133.5 | -174.2 | -72.9 | 178.6 | 177 | 176.8 | 0 | 110.1 | K299 | K299-K301 PolarHBondContact O-N 3.49Š|
| 302 | S | 62.9 | Low | 65.1 | Low | 63 Ų | 63 | 83 Ų | 83 | 44% | 0.441 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -51 | 152.1 | 171.2 | 49 | 0 | 0 | 0 | 0 | 111.2 | K300 S304 | K300-S302 PolarHBondContact O-N 3.41Å; S302-S304 PolarHBondContact O-N 3.42Å; S302-S304 VanDerWaalsContact O-N 3.16Å |
| 303 | P | 71 | Confident | 67.1 | Low | 13 Ų | 13 | 76.3 Ų | 76.3 | 8% | 0.084 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 125.6 | -179.6 | 22.6 | -33.1 | 0 | 0 | 0 | 110.3 | W262 K265 L305 | W262-P303 HydrophobicContact CH2-CB 4.22Å; W262-P303 HydrophobicContact CH2-CG 3.96Å; W262-P303 HydrophobicContact CZ2-CG 4.35Å; W262-P303 HydrophobicContact CZ3-CB 4.2Å; W262-P303 HydrophobicContact CZ3-CG 4.42Å; K265-P303 HydrophobicContact CB-CB 4.37Å; P303-L305 PolarHBondContact O-N 3.33Å |
| 304 | S | 77.1 | Confident | 69 | Low | 55 Ų | 55 | 79.2 Ų | 79.2 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | trans | -70.8 | 112.7 | 178.9 | 166.8 | 0 | 0 | 0 | 0 | 110.3 | S302 F306 V307 T308 | S302-S304 PolarHBondContact O-N 3.42Å; S302-S304 VanDerWaalsContact O-N 3.16Å; S304-F306 VanDerWaalsContact C-N 3.32Å; S304-F306 PolarHBondContact O-N 3.27Å; S304-V307 VanDerWaalsContact OG-CG2 3.26Å; S304-V307 WeakPolarHBondContact OG-CG2 3.18Å; S304-V307 PolarHBondContact OG-N 3.3Å; S304-V307 VanDerWaalsContact OG-N 3.12Å; S304-T308 PolarHBondContact O-N 3.36Å; S304-T308 PolarHBondContact O-OG1 3.33Å | ||
| 305 | L | 85.2 | Confident | 70.8 | Confident | 4 Ų | 4 | 84.7 Ų | 84.7 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -55.3 | -48 | 171.1 | 177.5 | 56.5 | 0 | 0 | 0 | 110.7 | W258 W262 P303 V307 T308 L309 L391 L618 L621 L625 | W258-L305 HydrophobicContact CH2-CD1 3.31Å; W258-L305 HydrophobicContact CZ2-CD1 4.04Å; W258-L305 HydrophobicContact CZ3-CD1 4.08Å; W262-L305 HydrophobicContact CZ3-CB 4.49Å; W262-L305 HydrophobicContact CZ3-CD1 4.42Å; P303-L305 PolarHBondContact O-N 3.33Å; L305-V307 PolarHBondContact O-N 3.34Å; L305-T308 PolarHBondContact O-N 2.91Å; L305-L309 HydrophobicContact CD1-CD1 4.03Å; L305-L309 HydrophobicContact CD1-CG 4.17Å; L305-L309 HydrophobicContact CG-CD1 4Å; L305-L309 WeakPolarHBondContact O-CG 3.01Å; L305-L309 PolarHBondContact O-N 3.2Å; L305-L391 HydrophobicContact CD1-CD2 4.25Å; L305-L618 HydrophobicContact CD2-CD2 3.69Å; L305-L618 HydrophobicContact CG-CD2 3.88Å; L305-L621 HydrophobicContact CD2-CB 3.66Å; L305-L621 HydrophobicContact CD2-CD1 4.43Å; L305-L625 HydrophobicContact CD1-CD1 4.05Å; L305-L625 HydrophobicContact CD2-CD1 4.35Å |
| 306 | F | 85 | Confident | 72.6 | Confident | 94 Ų | 94 | 83.7 Ų | 83.7 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.6 | -48.2 | -178.9 | -180 | -108.9 | 0 | 0 | 0 | 113.4 | S304 T308 L309 L310 L618 | S304-F306 VanDerWaalsContact C-N 3.32Å; S304-F306 PolarHBondContact O-N 3.27Å; F306-T308 VanDerWaalsContact C-N 3.27Å; F306-T308 PolarHBondContact O-N 3.44Å; F306-L309 PolarHBondContact O-N 3.15Å; F306-L310 HydrophobicContact CD1-CD1 3.91Å; F306-L310 HydrophobicContact CE1-CD1 3.32Å; F306-L310 HydrophobicContact CE1-CG 4.15Å; F306-L310 HydrophobicContact CE2-CD1 4.31Å; F306-L310 HydrophobicContact CE2-CG 4.34Å; F306-L310 HydrophobicContact CZ-CD1 3.56Å; F306-L310 HydrophobicContact CZ-CD2 4.38Å; F306-L310 HydrophobicContact CZ-CG 4.05Å; F306-L310 PolarHBondContact O-N 3.19Å; F306-L618 HydrophobicContact CB-CD1 4.29Å; F306-L618 HydrophobicContact CD2-CD1 4Å |
| 307 | V | 84.8 | Confident | 74.5 | Confident | 67 Ų | 67 | 78.6 Ų | 78.6 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | -179.8 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | S304 L305 L310 D311 | S304-V307 VanDerWaalsContact OG-CG2 3.26Å; S304-V307 WeakPolarHBondContact OG-CG2 3.18Å; S304-V307 PolarHBondContact OG-N 3.3Å; S304-V307 VanDerWaalsContact OG-N 3.12Å; L305-V307 PolarHBondContact O-N 3.34Å; V307-L310 PolarHBondContact O-N 2.85Å; V307-D311 VanDerWaalsContact O-CG 3.26Å; V307-D311 PolarHBondContact O-N 2.92Å |
| 308 | T | 86.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.3 | -36.8 | 178.2 | -48.6 | 0 | 0 | 0 | 0 | 112.3 | W258 L261 W262 K265 S304 L305 F306 D311 C312 | W258-T308 HydrophobicContact CE3-CG2 4.07Å; W258-T308 HydrophobicContact CH2-CG2 4.07Å; W258-T308 HydrophobicContact CZ3-CG2 3.5Å; L261-T308 HydrophobicContact CB-CG2 3.94Å; W262-T308 HydrophobicContact CE3-CG2 4.25Å; K265-T308 HydrophobicContact CD-CG2 4.27Å; K265-T308 WeakPolarHBondContact CD-OG1 3.47Å; K265-T308 PolarHBondContact NZ-OG1 3.42Å; K265-T308 VanDerWaalsContact NZ-OG1 3.09Å; S304-T308 PolarHBondContact O-N 3.36Å; S304-T308 PolarHBondContact O-OG1 3.33Å; L305-T308 PolarHBondContact O-N 2.91Å; F306-T308 VanDerWaalsContact C-N 3.27Å; F306-T308 PolarHBondContact O-N 3.44Å; T308-D311 PolarHBondContact O-N 3.38Å; T308-C312 PolarHBondContact O-N 2.94Å; T308-C312 PolarHBondContact O-SG 3.14Å |
| 309 | L | 87.7 | Confident | 78.7 | Confident | 11 Ų | 11 | 71.7 Ų | 71.7 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 173.6 | -64.5 | 170.4 | 0 | 0 | 0 | 111.6 | W258 L305 F306 C312 F313 L387 I390 L391 L618 | W258-L309 HydrophobicContact CE3-CD2 3.92Å; W258-L309 HydrophobicContact CH2-CD2 4.37Å; W258-L309 HydrophobicContact CZ3-CD2 3.57Å; W258-L309 HydrophobicContact CZ3-CG 4.07Å; L305-L309 HydrophobicContact CD1-CD1 4.03Å; L305-L309 HydrophobicContact CD1-CG 4.17Å; L305-L309 HydrophobicContact CG-CD1 4Å; L305-L309 WeakPolarHBondContact O-CG 3.01Å; L305-L309 PolarHBondContact O-N 3.2Å; F306-L309 PolarHBondContact O-N 3.15Å; L309-C312 WeakPolarHBondContact O-CB 3.48Å; L309-C312 PolarHBondContact O-N 2.96Å; L309-F313 WeakPolarHBondContact O-CD2 3.43Å; L309-F313 PolarHBondContact O-N 3.29Å; L309-L387 HydrophobicContact CB-CD2 3.78Å; L309-L387 HydrophobicContact CD1-CD2 4.29Å; L309-L387 HydrophobicContact CD2-CD2 3.6Å; L309-L387 HydrophobicContact CG-CD2 4.06Å; L309-I390 HydrophobicContact CD2-CG2 4.41Å; L309-L391 HydrophobicContact CD1-CD2 4.32Å; L309-L391 HydrophobicContact CD2-CD2 4.32Å; L309-L618 HydrophobicContact CD1-CD2 4.1Å |
| 310 | L | 85.6 | Confident | 80.6 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 35% | 0.351 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 173.4 | -75.5 | 179 | 0 | 0 | 0 | 112 | F306 V307 C312 F313 K314 T317 | F306-L310 HydrophobicContact CD1-CD1 3.91Å; F306-L310 HydrophobicContact CE1-CD1 3.32Å; F306-L310 HydrophobicContact CE1-CG 4.15Å; F306-L310 HydrophobicContact CE2-CD1 4.31Å; F306-L310 HydrophobicContact CE2-CG 4.34Å; F306-L310 HydrophobicContact CZ-CD1 3.56Å; F306-L310 HydrophobicContact CZ-CD2 4.38Å; F306-L310 HydrophobicContact CZ-CG 4.05Å; F306-L310 PolarHBondContact O-N 3.19Å; V307-L310 PolarHBondContact O-N 2.85Å; L310-C312 PolarHBondContact O-N 3.01Å; L310-F313 CarbonylContact O-C 3.51Å; L310-F313 PolarHBondContact O-N 2.99Å; L310-K314 WeakPolarHBondContact O-CA 3.33Å; L310-K314 PolarHBondContact O-N 3.34Å; L310-T317 HydrophobicContact CD2-CG2 4.47Å |
| 311 | D | 86.8 | Confident | 82.4 | Confident | 63 Ų | 63 | 58.7 Ų | 58.7 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.3 | -33.4 | 176 | -72.7 | -31.5 | 0 | 0 | 0 | 112.3 | L261 K265 V307 T308 F313 | L261-D311 HydrophobicContact CD1-CB 4.44Å; K265-D311 IonicContact NZ-OD2 3.97Å; K265-D311 PolarHBondContact NZ-OD2 3.49Å; V307-D311 VanDerWaalsContact O-CG 3.26Å; V307-D311 PolarHBondContact O-N 2.92Å; T308-D311 PolarHBondContact O-N 3.38Å; D311-F313 VanDerWaalsContact C-N 3.31Å; D311-F313 PolarHBondContact O-N 2.82Å |
| 312 | C | 87 | Confident | 83.9 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -33.5 | 175.4 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | K257 L261 T308 L309 L310 | K257-C312 WeakPolarHBondContact CE-O 3.32Å; K257-C312 PolarHBondContact NZ-O 2.97Å; L261-C312 VanDerWaalsContact CD1-SG 3.57Å; T308-C312 PolarHBondContact O-N 2.94Å; T308-C312 PolarHBondContact O-SG 3.14Å; L309-C312 WeakPolarHBondContact O-CB 3.48Å; L309-C312 PolarHBondContact O-N 2.96Å; L310-C312 PolarHBondContact O-N 3.01Å |
| 313 | F | 87.3 | Confident | 85.1 | Confident | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -123.3 | 10.5 | -170.6 | -60.9 | -75.2 | 0 | 0 | 0 | 115.6 | L254 L309 L310 D311 W315 H316 T317 V383 N386 L387 I390 | L254-F313 HydrophobicContact CD2-CE1 4.43Å; L254-F313 HydrophobicContact CD2-CZ 4.29Å; L309-F313 WeakPolarHBondContact O-CD2 3.43Å; L309-F313 PolarHBondContact O-N 3.29Å; L310-F313 CarbonylContact O-C 3.51Å; L310-F313 PolarHBondContact O-N 2.99Å; D311-F313 VanDerWaalsContact C-N 3.31Å; D311-F313 PolarHBondContact O-N 2.82Å; F313-W315 VanDerWaalsContact C-N 3.26Å; F313-W315 PolarHBondContact O-N 3.42Å; F313-H316 WeakPolarHBondContact O-CA 3.44Å; F313-H316 WeakPolarHBondContact O-CB 3.14Å; F313-H316 PolarHBondContact O-N 2.91Å; F313-T317 PolarHBondContact O-N 2.83Å; F313-T317 VanDerWaalsContact O-N 3.09Å; F313-V383 HydrophobicContact CB-CG1 4.01Å; F313-V383 HydrophobicContact CB-CG2 4.47Å; F313-V383 HydrophobicContact CD1-CG1 4.39Å; F313-V383 HydrophobicContact CD1-CG2 4.43Å; F313-V383 HydrophobicContact CD2-CG1 4.2Å; F313-V383 HydrophobicContact CG-CG1 3.94Å; F313-N386 HydrophobicContact CE1-CB 3.76Å; F313-N386 HydrophobicContact CZ-CB 3.6Å; F313-L387 HydrophobicContact CD2-CD2 3.76Å; F313-L387 HydrophobicContact CD2-CG 4.13Å; F313-L387 HydrophobicContact CE2-CD2 3.49Å; F313-L387 VanDerWaalsContact CE2-CD2 3.49Å; F313-L387 HydrophobicContact CE2-CG 3.83Å; F313-I390 HydrophobicContact CE2-CD1 3.84Å; F313-I390 HydrophobicContact CZ-CD1 3.76Å |
| 314 | K | 87.1 | Confident | 86 | Confident | 108 Ų | 108 | 52.4 Ų | 52.4 | 47% | 0.47 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -45.2 | -39.5 | -174 | 65.3 | -176.2 | -178.5 | 179.8 | 0 | 116.6 | L310 T317 L318 | L310-K314 WeakPolarHBondContact O-CA 3.33Å; L310-K314 PolarHBondContact O-N 3.34Å; K314-T317 VanDerWaalsContact C-OG1 3.31Å; K314-T317 VanDerWaalsContact CA-OG1 3.29Å; K314-T317 WeakPolarHBondContact CA-OG1 3.25Å; K314-T317 PolarHBondContact O-OG1 2.87Å; K314-L318 WeakPolarHBondContact O-CB 3.49Å; K314-L318 PolarHBondContact O-N 2.82Å |
| 315 | W | 86.3 | Confident | 86.6 | Confident | 187 Ų | 187 | 51.3 Ų | 51.3 | 71% | 0.708 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -73.4 | -33.5 | 179.7 | -62.2 | 121.4 | 0 | 0 | 0 | 112.7 | F313 L318 A319 | F313-W315 VanDerWaalsContact C-N 3.26Å; F313-W315 PolarHBondContact O-N 3.42Å; W315-L318 HydrophobicContact CE3-CD2 4.38Å; W315-L318 HydrophobicContact CZ3-CD2 4.37Å; W315-A319 WeakPolarHBondContact O-CB 2.91Å; W315-A319 PolarHBondContact O-N 3.49Å; W315-A319 VanDerWaalsContact O-N 3.14Å |
| 316 | H | 85.3 | Confident | 86.7 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 31% | 0.31 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.9 | -40.2 | 175.7 | -62.1 | 84.1 | 0 | 0 | 0 | 110.4 | F313 A319 S320 I379 V383 | F313-H316 WeakPolarHBondContact O-CA 3.44Å; F313-H316 WeakPolarHBondContact O-CB 3.14Å; F313-H316 PolarHBondContact O-N 2.91Å; H316-A319 PolarHBondContact O-N 3.04Å; H316-S320 PolarHBondContact O-N 3.12Å; H316-S320 PolarHBondContact O-OG 3.16Å; H316-I379 HydrophobicContact CB-CG2 4.19Å; H316-V383 HydrophobicContact CB-CG2 3.74Å |
| 317 | T | 84 | Confident | 87 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 177.5 | 54.8 | 0 | 0 | 0 | 0 | 112.1 | L310 F313 K314 S320 L321 | L310-T317 HydrophobicContact CD2-CG2 4.47Å; F313-T317 PolarHBondContact O-N 2.83Å; F313-T317 VanDerWaalsContact O-N 3.09Å; K314-T317 VanDerWaalsContact C-OG1 3.31Å; K314-T317 VanDerWaalsContact CA-OG1 3.29Å; K314-T317 WeakPolarHBondContact CA-OG1 3.25Å; K314-T317 PolarHBondContact O-OG1 2.87Å; T317-S320 VanDerWaalsContact CA-OG 3.29Å; T317-S320 WeakPolarHBondContact CA-OG 3.26Å; T317-S320 PolarHBondContact O-N 2.99Å; T317-S320 PolarHBondContact O-OG 3.43Å; T317-L321 PolarHBondContact O-N 2.84Å |
| 318 | L | 86.2 | Confident | 87.2 | Confident | 86 Ų | 86 | 48 Ų | 48 | 45% | 0.45 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 175.6 | -172.4 | 70.9 | 0 | 0 | 0 | 111.6 | K314 W315 L321 L322 | K314-L318 WeakPolarHBondContact O-CB 3.49Å; K314-L318 PolarHBondContact O-N 2.82Å; W315-L318 HydrophobicContact CE3-CD2 4.38Å; W315-L318 HydrophobicContact CZ3-CD2 4.37Å; L318-L321 WeakPolarHBondContact O-CB 3.45Å; L318-L321 PolarHBondContact O-N 3.16Å; L318-L322 PolarHBondContact O-N 3.28Å; L318-L322 VanDerWaalsContact O-N 3.15Å |
| 319 | A | 82.2 | Confident | 87.4 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 36% | 0.355 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | W315 H316 L321 L322 V323 | W315-A319 WeakPolarHBondContact O-CB 2.91Å; W315-A319 PolarHBondContact O-N 3.49Å; W315-A319 VanDerWaalsContact O-N 3.14Å; H316-A319 PolarHBondContact O-N 3.04Å; A319-L321 VanDerWaalsContact C-N 3.34Å; A319-L321 PolarHBondContact O-N 2.99Å; A319-L322 PolarHBondContact O-N 3.25Å; A319-V323 VanDerWaalsContact O-CG2 3.3Å; A319-V323 WeakPolarHBondContact O-CG2 3.5Å; A319-V323 PolarHBondContact O-N 3.26Å |
| 320 | S | 86.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 176.2 | 47.4 | 0 | 0 | 0 | 0 | 113.1 | H316 T317 V323 K324 Y376 L434 | H316-S320 PolarHBondContact O-N 3.12Å; H316-S320 PolarHBondContact O-OG 3.16Å; T317-S320 VanDerWaalsContact CA-OG 3.29Å; T317-S320 WeakPolarHBondContact CA-OG 3.26Å; T317-S320 PolarHBondContact O-N 2.99Å; T317-S320 PolarHBondContact O-OG 3.43Å; S320-V323 PolarHBondContact O-N 2.88Å; S320-K324 WeakPolarHBondContact O-CB 3.49Å; S320-K324 PolarHBondContact O-N 2.88Å; S320-Y376 WeakPolarHBondContact O-CD2 3.22Å; S320-L434 WeakPolarHBondContact OG-CD1 3.02Å |
| 321 | L | 89.1 | Confident | 87.7 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.2 | -50 | 175.4 | 178.9 | 68.1 | 0 | 0 | 0 | 110.6 | T317 L318 A319 V323 K324 T325 L434 W437 | T317-L321 PolarHBondContact O-N 2.84Å; L318-L321 WeakPolarHBondContact O-CB 3.45Å; L318-L321 PolarHBondContact O-N 3.16Å; A319-L321 VanDerWaalsContact C-N 3.34Å; A319-L321 PolarHBondContact O-N 2.99Å; L321-V323 PolarHBondContact O-N 3.27Å; L321-K324 PolarHBondContact O-N 2.96Å; L321-T325 WeakPolarHBondContact O-CG2 3.48Å; L321-T325 PolarHBondContact O-N 2.92Å; L321-T325 PolarHBondContact O-OG1 2.94Å; L321-L434 HydrophobicContact CB-CD2 4.31Å; L321-L434 HydrophobicContact CD1-CD2 4.17Å; L321-W437 HydrophobicContact CD1-CB 4.46Å; L321-W437 HydrophobicContact CD1-CG 4.09Å |
| 322 | L | 88 | Confident | 87.9 | Confident | 100 Ų | 100 | 48.7 Ų | 48.7 | 52% | 0.524 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 179.1 | -69.5 | 171.8 | 0 | 0 | 0 | 112.8 | L318 A319 K324 T325 I326 | L318-L322 PolarHBondContact O-N 3.28Å; L318-L322 VanDerWaalsContact O-N 3.15Å; A319-L322 PolarHBondContact O-N 3.25Å; L322-K324 VanDerWaalsContact C-N 3.35Å; L322-T325 PolarHBondContact O-OG1 3.46Å; L322-I326 WeakPolarHBondContact O-CD1 3Å; L322-I326 VanDerWaalsContact O-CG1 3.28Å; L322-I326 WeakPolarHBondContact O-CG1 3.28Å; L322-I326 PolarHBondContact O-N 2.89Å |
| 323 | V | 87.6 | Confident | 88 | Confident | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.121 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 179.5 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | A319 S320 L321 S327 L372 | A319-V323 VanDerWaalsContact O-CG2 3.3Å; A319-V323 WeakPolarHBondContact O-CG2 3.5Å; A319-V323 PolarHBondContact O-N 3.26Å; S320-V323 PolarHBondContact O-N 2.88Å; L321-V323 PolarHBondContact O-N 3.27Å; V323-S327 PolarHBondContact O-N 3.49Å; V323-S327 VanDerWaalsContact O-N 3.15Å; V323-L372 HydrophobicContact CG1-CB 4.1Å; V323-L372 HydrophobicContact CG1-CD2 4.11Å; V323-L372 WeakPolarHBondContact CG1-O 3.47Å |
| 324 | K | 89.7 | Confident | 88.1 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.8 | -45.1 | 178.3 | 179.8 | 55.6 | 172.6 | 142.1 | 0 | 111.7 | S320 L321 L322 I326 S327 D328 L373 Y376 S438 E442 | S320-K324 WeakPolarHBondContact O-CB 3.49Å; S320-K324 PolarHBondContact O-N 2.88Å; L321-K324 PolarHBondContact O-N 2.96Å; L322-K324 VanDerWaalsContact C-N 3.35Å; K324-I326 VanDerWaalsContact C-N 3.3Å; K324-I326 PolarHBondContact O-N 3.38Å; K324-S327 WeakPolarHBondContact O-CA 3.4Å; K324-S327 WeakPolarHBondContact O-CB 3.23Å; K324-S327 PolarHBondContact O-N 3.2Å; K324-D328 WeakPolarHBondContact CD-OD1 3.44Å; K324-D328 WeakPolarHBondContact CE-OD1 3.46Å; K324-D328 IonicContact NZ-OD1 3.55Å; K324-D328 PolarHBondContact NZ-OD1 3.03Å; K324-D328 IonicContact NZ-OD2 3.08Å; K324-D328 PolarHBondContact O-N 2.94Å; K324-L373 HydrophobicContact CD-CD1 4.48Å; K324-Y376 HydrophobicContact CB-CD2 3.68Å; K324-Y376 HydrophobicContact CB-CE2 3.93Å; K324-Y376 HydrophobicContact CB-CG 4.17Å; K324-Y376 HydrophobicContact CD-CD1 4.48Å; K324-Y376 HydrophobicContact CG-CD2 4.36Å; K324-Y376 HydrophobicContact CG-CE2 4.25Å; K324-S438 WeakPolarHBondContact CE-OG 3.25Å; K324-E442 IonicContact NZ-OE1 2.78Å; K324-E442 PolarHBondContact NZ-OE1 2.73Å |
| 325 | T | 89.9 | Confident | 88.2 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -40 | 179.3 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | L321 L322 D328 V329 L441 | L321-T325 WeakPolarHBondContact O-CG2 3.48Å; L321-T325 PolarHBondContact O-N 2.92Å; L321-T325 PolarHBondContact O-OG1 2.94Å; L322-T325 PolarHBondContact O-OG1 3.46Å; T325-D328 PolarHBondContact O-N 2.92Å; T325-V329 WeakPolarHBondContact O-CG2 3.29Å; T325-V329 PolarHBondContact O-N 2.88Å; T325-V329 VanDerWaalsContact O-N 3.15Å; T325-L441 HydrophobicContact CG2-CD2 4.49Å |
| 326 | I | 88.4 | Confident | 88.4 | Confident | 92 Ų | 92 | 41.4 Ų | 41.4 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 175.5 | -61.7 | 167.4 | 0 | 0 | 0 | 110.7 | L322 K324 D328 V329 L330 L372 | L322-I326 WeakPolarHBondContact O-CD1 3Å; L322-I326 VanDerWaalsContact O-CG1 3.28Å; L322-I326 WeakPolarHBondContact O-CG1 3.28Å; L322-I326 PolarHBondContact O-N 2.89Å; K324-I326 VanDerWaalsContact C-N 3.3Å; K324-I326 PolarHBondContact O-N 3.38Å; I326-D328 VanDerWaalsContact C-N 3.31Å; I326-D328 PolarHBondContact O-N 2.92Å; I326-V329 PolarHBondContact O-N 3.16Å; I326-L330 HydrophobicContact CG2-CD1 4.39Å; I326-L330 WeakPolarHBondContact O-CG 3.32Å; I326-L330 PolarHBondContact O-N 3.17Å; I326-L330 VanDerWaalsContact O-N 3.14Å; I326-L372 HydrophobicContact CB-CD1 4.2Å; I326-L372 HydrophobicContact CG2-CD1 3.56Å |
| 327 | S | 90.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -39.7 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | V323 K324 L330 E331 Q369 | V323-S327 PolarHBondContact O-N 3.49Å; V323-S327 VanDerWaalsContact O-N 3.15Å; K324-S327 WeakPolarHBondContact O-CA 3.4Å; K324-S327 WeakPolarHBondContact O-CB 3.23Å; K324-S327 PolarHBondContact O-N 3.2Å; S327-L330 PolarHBondContact O-N 3Å; S327-E331 PolarHBondContact O-N 2.97Å; S327-E331 VanDerWaalsContact O-N 3.1Å; S327-Q369 PolarHBondContact OG-O 3.44Å |
| 328 | D | 89.8 | Confident | 88.9 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.6 | -43.9 | -178.1 | -61.9 | -11.5 | 0 | 0 | 0 | 110.7 | K324 T325 I326 L330 E331 F332 S438 E442 | K324-D328 WeakPolarHBondContact CD-OD1 3.44Å; K324-D328 WeakPolarHBondContact CE-OD1 3.46Å; K324-D328 IonicContact NZ-OD1 3.55Å; K324-D328 PolarHBondContact NZ-OD1 3.03Å; K324-D328 IonicContact NZ-OD2 3.08Å; K324-D328 PolarHBondContact O-N 2.94Å; T325-D328 PolarHBondContact O-N 2.92Å; I326-D328 VanDerWaalsContact C-N 3.31Å; I326-D328 PolarHBondContact O-N 2.92Å; D328-L330 VanDerWaalsContact C-N 3.3Å; D328-L330 PolarHBondContact O-N 3.46Å; D328-E331 WeakPolarHBondContact O-CB 3.23Å; D328-E331 PolarHBondContact O-N 3.01Å; D328-E331 VanDerWaalsContact O-N 3.11Å; D328-F332 WeakPolarHBondContact O-CD2 3.42Å; D328-F332 PolarHBondContact O-N 3.11Å; D328-S438 VanDerWaalsContact OD2-CB 3.29Å; D328-S438 WeakPolarHBondContact OD2-CB 3.45Å; D328-S438 PolarHBondContact OD2-OG 3.22Å; D328-E442 HydrophobicContact CB-CG 4.47Å |
| 329 | V | 90.1 | Very high | 89.1 | Confident | 80 Ų | 80 | 36.7 Ų | 36.7 | 49% | 0.485 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | T325 I326 E331 F332 M333 | T325-V329 WeakPolarHBondContact O-CG2 3.29Å; T325-V329 PolarHBondContact O-N 2.88Å; T325-V329 VanDerWaalsContact O-N 3.15Å; I326-V329 PolarHBondContact O-N 3.16Å; V329-E331 VanDerWaalsContact C-N 3.29Å; V329-E331 PolarHBondContact O-N 3.2Å; V329-F332 PolarHBondContact O-N 3.34Å; V329-M333 WeakPolarHBondContact O-CG 3.43Å; V329-M333 PolarHBondContact O-N 2.99Å |
| 330 | L | 90.1 | Very high | 89.4 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -31.3 | 177.4 | -70.2 | 173.3 | 0 | 0 | 0 | 113 | I326 S327 D328 M333 I365 F368 Q369 L372 | I326-L330 HydrophobicContact CG2-CD1 4.39Å; I326-L330 WeakPolarHBondContact O-CG 3.32Å; I326-L330 PolarHBondContact O-N 3.17Å; I326-L330 VanDerWaalsContact O-N 3.14Å; S327-L330 PolarHBondContact O-N 3Å; D328-L330 VanDerWaalsContact C-N 3.3Å; D328-L330 PolarHBondContact O-N 3.46Å; L330-M333 HydrophobicContact CD2-SD 3.94Å; L330-M333 PolarHBondContact O-N 3.46Å; L330-I365 HydrophobicContact CB-CG2 4.31Å; L330-I365 WeakPolarHBondContact O-CG2 3.43Å; L330-F368 HydrophobicContact CD1-CB 4.05Å; L330-Q369 HydrophobicContact CB-CB 3.84Å; L330-Q369 HydrophobicContact CB-CG 4.12Å; L330-Q369 HydrophobicContact CD1-CB 4.27Å; L330-L372 HydrophobicContact CD1-CD1 3.76Å |
| 331 | E | 89.3 | Confident | 89.5 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 175.8 | -168.6 | 63.1 | -159.4 | 0 | 0 | 111.3 | S327 D328 V329 M333 K334 P335 Q369 | S327-E331 PolarHBondContact O-N 2.97Å; S327-E331 VanDerWaalsContact O-N 3.1Å; D328-E331 WeakPolarHBondContact O-CB 3.23Å; D328-E331 PolarHBondContact O-N 3.01Å; D328-E331 VanDerWaalsContact O-N 3.11Å; V329-E331 VanDerWaalsContact C-N 3.29Å; V329-E331 PolarHBondContact O-N 3.2Å; E331-M333 PolarHBondContact O-N 3.4Å; E331-K334 PolarHBondContact O-N 3.04Å; E331-K334 IonicContact OE1-NZ 3.48Å; E331-K334 PolarHBondContact OE1-NZ 3.46Å; E331-K334 WeakPolarHBondContact OE2-CE 3.36Å; E331-K334 IonicContact OE2-NZ 2.75Å; E331-K334 PolarHBondContact OE2-NZ 3.31Å; E331-P335 WeakPolarHBondContact O-CD 3.4Å; E331-Q369 HydrophobicContact CB-CG 4.49Å; E331-Q369 WeakPolarHBondContact OE2-CG 3.4Å; E331-Q369 PolarHBondContact OE2-NE2 2.75Å; E331-Q369 PolarHBondContact OE2-OE1 2.81Å |
| 332 | F | 90.9 | Very high | 89.4 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.8 | -17 | 176.7 | -78.8 | -77.6 | 0 | 0 | 0 | 114.2 | D328 V329 K334 P335 E442 L445 A446 F449 L593 I596 | D328-F332 WeakPolarHBondContact O-CD2 3.42Å; D328-F332 PolarHBondContact O-N 3.11Å; V329-F332 PolarHBondContact O-N 3.34Å; F332-K334 VanDerWaalsContact C-N 3.29Å; F332-K334 PolarHBondContact O-N 2.78Å; F332-P335 WeakPolarHBondContact O-CD 3.44Å; F332-E442 HydrophobicContact CE2-CB 4.03Å; F332-E442 HydrophobicContact CE2-CG 4.05Å; F332-E442 HydrophobicContact CZ-CB 4.12Å; F332-E442 WeakPolarHBondContact CZ-O 3.49Å; F332-L445 HydrophobicContact CD1-CB 4.21Å; F332-L445 HydrophobicContact CD2-CB 4Å; F332-L445 HydrophobicContact CD2-CD1 3.77Å; F332-L445 HydrophobicContact CE1-CB 4.05Å; F332-L445 HydrophobicContact CE2-CB 3.85Å; F332-L445 HydrophobicContact CE2-CD1 3.99Å; F332-L445 HydrophobicContact CG-CB 4.2Å; F332-L445 HydrophobicContact CG-CD1 4.46Å; F332-L445 HydrophobicContact CZ-CB 3.88Å; F332-A446 HydrophobicContact CE1-CB 3.74Å; F332-A446 HydrophobicContact CZ-CB 4.06Å; F332-F449 HydrophobicContact CB-CD2 4.44Å; F332-F449 HydrophobicContact CB-CE2 3.88Å; F332-F449 AromaticContact CD1-CD2 3.81Å; F332-F449 HydrophobicContact CD1-CD2 3.81Å; F332-F449 HydrophobicContact CD1-CE2 4.02Å; F332-F449 HydrophobicContact CG-CD2 4.4Å; F332-F449 HydrophobicContact CG-CE2 4.15Å; F332-L593 HydrophobicContact CD1-CD2 4.21Å; F332-L593 HydrophobicContact CE1-CD2 4.41Å; F332-I596 HydrophobicContact CE1-CG2 3.83Å; F332-I596 HydrophobicContact CE2-CG2 4.34Å; F332-I596 HydrophobicContact CZ-CG2 3.67Å |
| 333 | M | 90 | Very high | 89.3 | Confident | 71 Ų | 71 | 32.5 Ų | 32.5 | 35% | 0.35 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -71.7 | -22.9 | 173.2 | -63.9 | -175.1 | 85.8 | 0 | 0 | 112.4 | V329 L330 E331 L336 V337 I365 | V329-M333 WeakPolarHBondContact O-CG 3.43Å; V329-M333 PolarHBondContact O-N 2.99Å; L330-M333 HydrophobicContact CD2-SD 3.94Å; L330-M333 PolarHBondContact O-N 3.46Å; E331-M333 PolarHBondContact O-N 3.4Å; M333-L336 PolarHBondContact O-N 2.82Å; M333-V337 WeakPolarHBondContact O-CG2 3.48Å; M333-V337 PolarHBondContact O-N 3.4Å; M333-I365 HydrophobicContact CB-CD1 3.87Å; M333-I365 HydrophobicContact CB-CG2 4.38Å |
| 334 | K | 89.4 | Confident | 89.3 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -49.5 | -177.7 | -61.6 | 170.9 | -179.2 | 167.9 | 0 | 112.9 | E331 F332 L336 V337 L338 L362 I365 L1227 | E331-K334 PolarHBondContact O-N 3.04Å; E331-K334 IonicContact OE1-NZ 3.48Å; E331-K334 PolarHBondContact OE1-NZ 3.46Å; E331-K334 WeakPolarHBondContact OE2-CE 3.36Å; E331-K334 IonicContact OE2-NZ 2.75Å; E331-K334 PolarHBondContact OE2-NZ 3.31Å; F332-K334 VanDerWaalsContact C-N 3.29Å; F332-K334 PolarHBondContact O-N 2.78Å; K334-L336 VanDerWaalsContact C-N 3.28Å; K334-L336 PolarHBondContact O-N 2.68Å; K334-V337 PolarHBondContact O-N 2.92Å; K334-L338 PolarHBondContact O-N 3.42Å; K334-L362 HydrophobicContact CB-CD1 4.08Å; K334-L362 HydrophobicContact CG-CD1 4.12Å; K334-I365 HydrophobicContact CG-CG2 3.94Å; K334-L1227 HydrophobicContact CB-CD2 4.3Å; K334-L1227 HydrophobicContact CD-CD2 4.22Å |
| 335 | P | 89.2 | Confident | 89 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -31.6 | 174.1 | -23.1 | 33.6 | 0 | 0 | 0 | 114 | E331 F332 L338 R339 V589 L593 I596 | E331-P335 WeakPolarHBondContact O-CD 3.4Å; F332-P335 WeakPolarHBondContact O-CD 3.44Å; P335-L338 WeakPolarHBondContact O-CB 3.44Å; P335-L338 PolarHBondContact O-N 3.27Å; P335-R339 PolarHBondContact O-N 2.71Å; P335-V589 HydrophobicContact CB-CG1 4.45Å; P335-L593 HydrophobicContact CB-CD2 4.1Å; P335-L593 HydrophobicContact CB-CG 4.19Å; P335-L593 HydrophobicContact CG-CD2 4.02Å; P335-L593 HydrophobicContact CG-CG 4.42Å; P335-I596 HydrophobicContact CG-CD1 3.51Å |
| 336 | L | 89.4 | Confident | 88.7 | Confident | 65 Ų | 65 | 32.9 Ų | 32.9 | 34% | 0.34 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -70.1 | -37 | 177.2 | -61.9 | 177.6 | 0 | 0 | 0 | 111.9 | M333 K334 R339 K340 F449 | M333-L336 PolarHBondContact O-N 2.82Å; K334-L336 VanDerWaalsContact C-N 3.28Å; K334-L336 PolarHBondContact O-N 2.68Å; L336-R339 WeakPolarHBondContact O-CB 3.47Å; L336-R339 PolarHBondContact O-N 3.37Å; L336-K340 PolarHBondContact O-N 3.01Å; L336-F449 HydrophobicContact CD1-CE1 4.02Å; L336-F449 HydrophobicContact CD1-CZ 4.02Å; L336-F449 HydrophobicContact CD2-CD1 4.19Å; L336-F449 HydrophobicContact CD2-CE1 4.31Å |
| 337 | V | 89.9 | Confident | 88.4 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 7% | 0.073 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.9 | -38.8 | 171.7 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | M333 K334 R339 K340 L341 F358 M361 L362 I365 | M333-V337 WeakPolarHBondContact O-CG2 3.48Å; M333-V337 PolarHBondContact O-N 3.4Å; K334-V337 PolarHBondContact O-N 2.92Å; V337-R339 VanDerWaalsContact C-N 3.31Å; V337-R339 PolarHBondContact O-N 3.06Å; V337-K340 PolarHBondContact O-N 2.8Å; V337-K340 VanDerWaalsContact O-N 3.15Å; V337-L341 HydrophobicContact CG1-CD1 4.4Å; V337-L341 PolarHBondContact O-N 2.91Å; V337-F358 HydrophobicContact CG1-CB 4.09Å; V337-F358 HydrophobicContact CG1-CD1 4.17Å; V337-F358 VanDerWaalsContact CG1-O 3.28Å; V337-F358 WeakPolarHBondContact CG1-O 3.34Å; V337-M361 HydrophobicContact CG2-CG 4.29Å; V337-L362 HydrophobicContact CB-CD1 4.38Å; V337-L362 HydrophobicContact CG1-CB 4Å; V337-L362 HydrophobicContact CG1-CD1 4.19Å; V337-I365 HydrophobicContact CG2-CD1 3.78Å |
| 338 | L | 89.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.6 | -43.5 | 172.9 | 175.3 | 62.3 | 0 | 0 | 0 | 111.8 | K334 P335 K340 L341 I342 S592 I1223 | K334-L338 PolarHBondContact O-N 3.42Å; P335-L338 WeakPolarHBondContact O-CB 3.44Å; P335-L338 PolarHBondContact O-N 3.27Å; L338-K340 VanDerWaalsContact C-N 3.28Å; L338-K340 PolarHBondContact O-N 2.9Å; L338-L341 PolarHBondContact O-N 3.43Å; L338-L341 VanDerWaalsContact O-N 3.11Å; L338-I342 HydrophobicContact CD1-CD1 3.99Å; L338-I342 HydrophobicContact CD1-CG1 4.12Å; L338-I342 HydrophobicContact CG-CD1 3.91Å; L338-I342 HydrophobicContact CG-CG1 4.45Å; L338-I342 WeakPolarHBondContact O-CG1 3.38Å; L338-I342 PolarHBondContact O-N 3.13Å; L338-S592 WeakPolarHBondContact CD2-OG 3.4Å; L338-I1223 HydrophobicContact CD1-CB 3.69Å; L338-I1223 HydrophobicContact CD1-CD1 4.1Å; L338-I1223 HydrophobicContact CD1-CG1 4.5Å; L338-I1223 HydrophobicContact CD1-CG2 3.63Å |
| 339 | R | 90.3 | Very high | 87.2 | Confident | 80 Ų | 80 | 50.2 Ų | 50.2 | 30% | 0.302 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -51.8 | -46.4 | 174.2 | -172 | -175.3 | 176 | 156.7 | 15.1 | 111.8 | P335 L336 V337 I342 Q343 E585 V589 | P335-R339 PolarHBondContact O-N 2.71Å; L336-R339 WeakPolarHBondContact O-CB 3.47Å; L336-R339 PolarHBondContact O-N 3.37Å; V337-R339 VanDerWaalsContact C-N 3.31Å; V337-R339 PolarHBondContact O-N 3.06Å; R339-I342 PolarHBondContact O-N 3.09Å; R339-Q343 WeakPolarHBondContact O-CG 3.22Å; R339-Q343 PolarHBondContact O-N 3.28Å; R339-E585 HydrophobicContact CG-CG 3.71Å; R339-E585 WeakPolarHBondContact CG-OE1 3.34Å; R339-E585 IonicContact CZ-OE1 3.68Å; R339-E585 IonicContact NE-OE1 2.89Å; R339-E585 PolarHBondContact NE-OE1 3.45Å; R339-E585 IonicContact NH2-OE1 3.09Å; R339-E585 PolarHBondContact NH2-OE1 3.28Å; R339-V589 HydrophobicContact CB-CG2 3.73Å; R339-V589 HydrophobicContact CG-CG2 4.17Å |
| 340 | K | 88.8 | Confident | 86.4 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 33% | 0.326 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.1 | -34 | 179 | -64.6 | -52.3 | -170.3 | 178.7 | 0 | 113.6 | L336 V337 L338 Q343 Y344 F358 | L336-K340 PolarHBondContact O-N 3.01Å; V337-K340 PolarHBondContact O-N 2.8Å; V337-K340 VanDerWaalsContact O-N 3.15Å; L338-K340 VanDerWaalsContact C-N 3.28Å; L338-K340 PolarHBondContact O-N 2.9Å; K340-Q343 VanDerWaalsContact CD-OE1 3.3Å; K340-Y344 WeakPolarHBondContact O-CB 3.32Å; K340-Y344 PolarHBondContact O-N 3.32Å; K340-F358 HydrophobicContact CB-CD1 3.82Å; K340-F358 HydrophobicContact CB-CD2 3.93Å; K340-F358 HydrophobicContact CB-CE1 3.8Å; K340-F358 HydrophobicContact CB-CE2 3.95Å; K340-F358 HydrophobicContact CB-CG 3.89Å; K340-F358 HydrophobicContact CB-CZ 3.87Å; K340-F358 HydrophobicContact CG-CD1 4.28Å; K340-F358 HydrophobicContact CG-CE1 3.8Å; K340-F358 HydrophobicContact CG-CE2 4.4Å; K340-F358 HydrophobicContact CG-CZ 3.86Å |
| 341 | L | 88.8 | Confident | 86 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.5 | -36.4 | 173.2 | -73.7 | 170.3 | 0 | 0 | 0 | 112.3 | V337 L338 Y344 M345 F358 L362 A1202 V1206 I1223 | V337-L341 HydrophobicContact CG1-CD1 4.4Å; V337-L341 PolarHBondContact O-N 2.91Å; L338-L341 PolarHBondContact O-N 3.43Å; L338-L341 VanDerWaalsContact O-N 3.11Å; L341-Y344 WeakPolarHBondContact O-CB 3.4Å; L341-Y344 PolarHBondContact O-N 3.38Å; L341-M345 WeakPolarHBondContact O-CG 3.44Å; L341-M345 PolarHBondContact O-N 3.28Å; L341-F358 HydrophobicContact CD2-CB 3.7Å; L341-F358 HydrophobicContact CG-CB 3.84Å; L341-L362 HydrophobicContact CD1-CD2 4.41Å; L341-A1202 HydrophobicContact CD1-CB 4.27Å; L341-V1206 HydrophobicContact CD2-CG2 3.95Å; L341-I1223 HydrophobicContact CB-CD1 4.4Å; L341-I1223 HydrophobicContact CD1-CD1 4.07Å |
| 342 | I | 88.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.9 | -45 | 175.4 | -62.9 | 168.5 | 0 | 0 | 0 | 110.5 | L338 R339 Y344 M345 E346 P584 E585 F588 | L338-I342 HydrophobicContact CD1-CD1 3.99Å; L338-I342 HydrophobicContact CD1-CG1 4.12Å; L338-I342 HydrophobicContact CG-CD1 3.91Å; L338-I342 HydrophobicContact CG-CG1 4.45Å; L338-I342 WeakPolarHBondContact O-CG1 3.38Å; L338-I342 PolarHBondContact O-N 3.13Å; R339-I342 PolarHBondContact O-N 3.09Å; I342-Y344 PolarHBondContact O-N 3.37Å; I342-M345 WeakPolarHBondContact O-CA 3.41Å; I342-M345 WeakPolarHBondContact O-CB 3.37Å; I342-M345 PolarHBondContact O-N 3.02Å; I342-E346 PolarHBondContact O-N 3.06Å; I342-E346 VanDerWaalsContact O-N 3.1Å; I342-P584 HydrophobicContact CG2-CB 3.99Å; I342-E585 HydrophobicContact CG2-CB 4.14Å; I342-F588 HydrophobicContact CD1-CB 3.92Å |
| 343 | Q | 85.8 | Confident | 84.8 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.5 | -38.1 | 173.8 | -74.7 | 179.8 | -8.5 | 0 | 0 | 112.4 | R339 K340 M345 E346 I347 E585 | R339-Q343 WeakPolarHBondContact O-CG 3.22Å; R339-Q343 PolarHBondContact O-N 3.28Å; K340-Q343 VanDerWaalsContact CD-OE1 3.3Å; Q343-M345 VanDerWaalsContact C-N 3.33Å; Q343-M345 PolarHBondContact O-N 2.86Å; Q343-E346 PolarHBondContact O-N 3.42Å; Q343-I347 PolarHBondContact O-N 2.74Å; Q343-E585 WeakPolarHBondContact CG-OE2 3.35Å; Q343-E585 VanDerWaalsContact NE2-CD 3.26Å; Q343-E585 PolarHBondContact NE2-OE1 3.31Å; Q343-E585 VanDerWaalsContact NE2-OE1 3.12Å; Q343-E585 PolarHBondContact NE2-OE2 3.28Å |
| 344 | Y | 86.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 172.8 | 171.8 | -104.9 | 0 | 0 | 0 | 112.2 | K340 L341 I342 E346 L350 S351 Y354 V1206 R1209 | K340-Y344 WeakPolarHBondContact O-CB 3.32Å; K340-Y344 PolarHBondContact O-N 3.32Å; L341-Y344 WeakPolarHBondContact O-CB 3.4Å; L341-Y344 PolarHBondContact O-N 3.38Å; I342-Y344 PolarHBondContact O-N 3.37Å; Y344-E346 VanDerWaalsContact C-N 3.34Å; Y344-E346 PolarHBondContact O-N 3.5Å; Y344-L350 HydrophobicContact CD2-CB 3.76Å; Y344-L350 HydrophobicContact CD2-CD1 4.45Å; Y344-L350 HydrophobicContact CE2-CB 4.19Å; Y344-S351 VanDerWaalsContact CE2-O 3.22Å; Y344-S351 WeakPolarHBondContact CE2-O 3.34Å; Y344-Y354 AromaticContact CD2-CD1 3.87Å; Y344-Y354 HydrophobicContact CD2-CD1 3.87Å; Y344-Y354 HydrophobicContact CG-CD1 4.25Å; Y344-V1206 HydrophobicContact CD1-CG2 4.19Å; Y344-V1206 HydrophobicContact CE1-CB 4.19Å; Y344-V1206 HydrophobicContact CE1-CG1 3.78Å; Y344-V1206 HydrophobicContact CE1-CG2 4.03Å; Y344-R1209 HydrophobicContact CE1-CB 4.46Å; Y344-R1209 VanDerWaalsContact CE2-NH1 3.25Å; Y344-R1209 VanDerWaalsContact CZ-CD 3.41Å; Y344-R1209 PolarHBondContact O-NE 3.22Å; Y344-R1209 PolarHBondContact O-NH2 3.49Å; Y344-R1209 PolarHBondContact OH-NH1 3.18Å |
| 345 | M | 85.4 | Confident | 84.1 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -33.2 | 177.9 | -64 | -58.5 | -60.2 | 0 | 0 | 112.8 | L341 I342 Q343 R1209 A1216 V1219 | L341-M345 WeakPolarHBondContact O-CG 3.44Å; L341-M345 PolarHBondContact O-N 3.28Å; I342-M345 WeakPolarHBondContact O-CA 3.41Å; I342-M345 WeakPolarHBondContact O-CB 3.37Å; I342-M345 PolarHBondContact O-N 3.02Å; Q343-M345 VanDerWaalsContact C-N 3.33Å; Q343-M345 PolarHBondContact O-N 2.86Å; M345-R1209 HydrophobicContact CE-CB 3.8Å; M345-R1209 HydrophobicContact CE-CG 3.79Å; M345-R1209 HydrophobicContact SD-CB 3.89Å; M345-R1209 HydrophobicContact SD-CG 3.92Å; M345-A1216 HydrophobicContact CB-CB 4.01Å; M345-V1219 HydrophobicContact CE-CG2 3.81Å; M345-V1219 HydrophobicContact CG-CB 4.16Å; M345-V1219 HydrophobicContact CG-CG1 3.99Å; M345-V1219 HydrophobicContact CG-CG2 4.1Å; M345-V1219 HydrophobicContact SD-CG2 4.24Å |
| 346 | E | 82.6 | Confident | 83.9 | Confident | 59 Ų | 59 | 52.6 Ų | 52.6 | 28% | 0.276 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -77.2 | -46.1 | -179 | -68.1 | 174.5 | -179.7 | 0 | 0 | 112.8 | I342 Q343 Y344 K348 P584 A1216 | I342-E346 PolarHBondContact O-N 3.06Å; I342-E346 VanDerWaalsContact O-N 3.1Å; Q343-E346 PolarHBondContact O-N 3.42Å; Y344-E346 VanDerWaalsContact C-N 3.34Å; Y344-E346 PolarHBondContact O-N 3.5Å; E346-K348 PolarHBondContact O-N 3.28Å; E346-P584 WeakPolarHBondContact OE1-CD 3.5Å; E346-A1216 HydrophobicContact CG-CB 3.75Å |
| 347 | I | 83 | Confident | 83.6 | Confident | 86 Ų | 86 | 51.2 Ų | 51.2 | 44% | 0.441 | 25% | 0.248 | S | C | . | . | trans | -94.3 | 94.3 | -172.9 | -55.7 | 170.4 | 0 | 0 | 0 | 110.9 | Q343 E349 L350 R1209 | Q343-I347 PolarHBondContact O-N 2.74Å; I347-E349 HydrophobicContact CG2-CB 4.3Å; I347-E349 PolarHBondContact O-N 3.48Å; I347-L350 HydrophobicContact CB-CD1 3.85Å; I347-L350 HydrophobicContact CB-CG 4.29Å; I347-L350 HydrophobicContact CD1-CD1 4.45Å; I347-L350 HydrophobicContact CG2-CD1 4.29Å; I347-L350 HydrophobicContact CG2-CG 4.22Å; I347-L350 PolarHBondContact O-N 2.81Å; I347-L350 VanDerWaalsContact O-N 3.13Å; I347-R1209 VanDerWaalsContact C-NH2 3.25Å; I347-R1209 PolarHBondContact O-NH2 2.84Å | ||
| 348 | K | 77 | Confident | 83.5 | Confident | 187 Ų | 187 | 52 Ų | 52 | 81% | 0.813 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -27.2 | -176.7 | -70.6 | -170.4 | 179.1 | -177.2 | 0 | 115.5 | E346 L350 R1209 | E346-K348 PolarHBondContact O-N 3.28Å; K348-L350 PolarHBondContact O-N 3.11Å; K348-R1209 PolarHBondContact O-NH2 3.43Å |
| 349 | E | 76.1 | Confident | 83.4 | Confident | 188 Ų | 188 | 51.9 Ų | 51.9 | 88% | 0.879 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -16.4 | -178.1 | -60.4 | -179.3 | 175.7 | 0 | 0 | 114.3 | I347 | I347-E349 HydrophobicContact CG2-CB 4.3Å; I347-E349 PolarHBondContact O-N 3.48Å |
| 350 | L | 75.1 | Confident | 83.3 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -72.2 | 133.6 | 179.6 | -68.9 | 163.8 | 0 | 0 | 0 | 112 | A83 Y344 I347 K348 Y354 R1209 | A83-L350 HydrophobicContact CB-CD2 4.03Å; Y344-L350 HydrophobicContact CD2-CB 3.76Å; Y344-L350 HydrophobicContact CD2-CD1 4.45Å; Y344-L350 HydrophobicContact CE2-CB 4.19Å; I347-L350 HydrophobicContact CB-CD1 3.85Å; I347-L350 HydrophobicContact CB-CG 4.29Å; I347-L350 HydrophobicContact CD1-CD1 4.45Å; I347-L350 HydrophobicContact CG2-CD1 4.29Å; I347-L350 HydrophobicContact CG2-CG 4.22Å; I347-L350 PolarHBondContact O-N 2.81Å; I347-L350 VanDerWaalsContact O-N 3.13Å; K348-L350 PolarHBondContact O-N 3.11Å; L350-Y354 HydrophobicContact CD1-CD1 4.36Å; L350-Y354 HydrophobicContact CD1-CE1 4.23Å; L350-Y354 HydrophobicContact CD2-CD1 4.46Å; L350-Y354 HydrophobicContact CD2-CD2 4.17Å; L350-Y354 HydrophobicContact CD2-CE2 4.25Å; L350-Y354 HydrophobicContact CD2-CG 4.26Å; L350-R1209 PolarHBondContact O-NH1 3.36Å |
| 351 | S | 80 | Confident | 83.1 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 30% | 0.301 | 25% | 0.249 | S | C | . | . | trans | -66.1 | 151 | 179.7 | 61.7 | 0 | 0 | 0 | 0 | 112.8 | Y344 S353 Y354 | Y344-S351 VanDerWaalsContact CE2-O 3.22Å; Y344-S351 WeakPolarHBondContact CE2-O 3.34Å; S351-S353 PolarHBondContact O-N 3.25Å; S351-S353 PolarHBondContact OG-OG 3.39Å; S351-Y354 WeakPolarHBondContact O-CB 3.45Å; S351-Y354 PolarHBondContact O-N 2.61Å | ||
| 352 | L | 80.7 | Confident | 83.1 | Confident | 84 Ų | 84 | 50.9 Ų | 50.9 | 44% | 0.44 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56 | -34.1 | 175 | -178.7 | 65.6 | 0 | 0 | 0 | 112.8 | Y354 G355 I356 V1206 | L352-Y354 PolarHBondContact O-N 3.16Å; L352-G355 PolarHBondContact O-N 3.19Å; L352-I356 HydrophobicContact CD1-CD1 4.42Å; L352-I356 HydrophobicContact CD1-CG1 4.47Å; L352-I356 HydrophobicContact CD2-CD1 4.22Å; L352-I356 HydrophobicContact CG-CD1 3.85Å; L352-I356 HydrophobicContact CG-CG1 4.31Å; L352-I356 WeakPolarHBondContact O-CG1 3.41Å; L352-I356 PolarHBondContact O-N 2.89Å; L352-I356 VanDerWaalsContact O-N 3.09Å; L352-V1206 HydrophobicContact CD1-CG1 3.74Å |
| 353 | S | 75.3 | Confident | 83.2 | Confident | 46 Ų | 46 | 52 Ų | 52 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.1 | -30.7 | 176.9 | 50 | 0 | 0 | 0 | 0 | 112.7 | P79 S351 F357 | P79-S353 WeakPolarHBondContact CB-OG 3.36Å; S351-S353 PolarHBondContact O-N 3.25Å; S351-S353 PolarHBondContact OG-OG 3.39Å; S353-F357 WeakPolarHBondContact O-CB 3.08Å; S353-F357 PolarHBondContact O-N 3.38Å |
| 354 | Y | 80.3 | Confident | 83.2 | Confident | 23 Ų | 23 | 52.6 Ų | 52.6 | 9% | 0.09 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -49.6 | 173.8 | -170.4 | -88.7 | 0 | 0 | 0 | 112 | Y344 L350 S351 L352 F357 F358 | Y344-Y354 AromaticContact CD2-CD1 3.87Å; Y344-Y354 HydrophobicContact CD2-CD1 3.87Å; Y344-Y354 HydrophobicContact CG-CD1 4.25Å; L350-Y354 HydrophobicContact CD1-CD1 4.36Å; L350-Y354 HydrophobicContact CD1-CE1 4.23Å; L350-Y354 HydrophobicContact CD2-CD1 4.46Å; L350-Y354 HydrophobicContact CD2-CD2 4.17Å; L350-Y354 HydrophobicContact CD2-CE2 4.25Å; L350-Y354 HydrophobicContact CD2-CG 4.26Å; S351-Y354 WeakPolarHBondContact O-CB 3.45Å; S351-Y354 PolarHBondContact O-N 2.61Å; L352-Y354 PolarHBondContact O-N 3.16Å; Y354-F357 PolarHBondContact O-N 3.07Å; Y354-F358 AromaticContact CD1-CD2 3.86Å; Y354-F358 HydrophobicContact CD1-CD2 3.86Å; Y354-F358 AromaticContact CD1-CE2 3.91Å; Y354-F358 HydrophobicContact CD1-CE2 3.91Å; Y354-F358 HydrophobicContact CD2-CE2 4.03Å; Y354-F358 AromaticContact CE1-CD2 3.63Å; Y354-F358 HydrophobicContact CE1-CD2 3.63Å; Y354-F358 AromaticContact CE1-CE2 3.42Å; Y354-F358 HydrophobicContact CE1-CE2 3.42Å; Y354-F358 VanDerWaalsContact CE1-CE2 3.42Å; Y354-F358 HydrophobicContact CE2-CD2 4.46Å; Y354-F358 AromaticContact CE2-CE2 3.57Å; Y354-F358 HydrophobicContact CE2-CE2 3.57Å; Y354-F358 HydrophobicContact CE2-CZ 4.38Å; Y354-F358 HydrophobicContact CG-CD2 4.37Å; Y354-F358 HydrophobicContact CG-CE2 4.19Å; Y354-F358 AromaticContact CZ-CD2 3.97Å; Y354-F358 AromaticContact CZ-CE2 3.24Å; Y354-F358 VanDerWaalsContact O-CD2 3.3Å; Y354-F358 WeakPolarHBondContact O-CD2 3.15Å; Y354-F358 PolarHBondContact O-N 3.2Å |
| 355 | G | 83.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L352 F357 S359 | L352-G355 PolarHBondContact O-N 3.19Å; G355-F357 VanDerWaalsContact C-N 3.32Å; G355-F357 PolarHBondContact O-N 3.28Å; G355-S359 WeakPolarHBondContact O-CB 3.4Å; G355-S359 PolarHBondContact O-N 3.45Å; G355-S359 VanDerWaalsContact O-N 3.1Å; G355-S359 PolarHBondContact O-OG 3.28Å |
| 356 | I | 86.6 | Confident | 83.4 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 176.1 | -65.6 | 174.2 | 0 | 0 | 0 | 110.3 | L352 S359 F360 I1203 V1206 | L352-I356 HydrophobicContact CD1-CD1 4.42Å; L352-I356 HydrophobicContact CD1-CG1 4.47Å; L352-I356 HydrophobicContact CD2-CD1 4.22Å; L352-I356 HydrophobicContact CG-CD1 3.85Å; L352-I356 HydrophobicContact CG-CG1 4.31Å; L352-I356 WeakPolarHBondContact O-CG1 3.41Å; L352-I356 PolarHBondContact O-N 2.89Å; L352-I356 VanDerWaalsContact O-N 3.09Å; I356-S359 PolarHBondContact O-N 3.3Å; I356-F360 PolarHBondContact O-N 3.27Å; I356-I1203 HydrophobicContact CB-CD1 4.48Å; I356-I1203 HydrophobicContact CG1-CD1 4.03Å; I356-I1203 HydrophobicContact CG2-CD1 4.38Å; I356-V1206 HydrophobicContact CG1-CG1 4.24Å |
| 357 | F | 83.2 | Confident | 83.6 | Confident | 35 Ų | 35 | 51 Ų | 51 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -53.1 | 178.9 | 166.9 | -120.1 | 0 | 0 | 0 | 112.3 | C76 S353 Y354 G355 S359 F360 M361 | C76-F357 HydrophobicContact CB-CD2 3.35Å; C76-F357 HydrophobicContact CB-CE2 3.12Å; C76-F357 HydrophobicContact CB-CG 4.25Å; C76-F357 HydrophobicContact CB-CZ 3.81Å; C76-F357 VanDerWaalsContact SG-CD2 3.5Å; C76-F357 VanDerWaalsContact SG-CE2 3.56Å; S353-F357 WeakPolarHBondContact O-CB 3.08Å; S353-F357 PolarHBondContact O-N 3.38Å; Y354-F357 PolarHBondContact O-N 3.07Å; G355-F357 VanDerWaalsContact C-N 3.32Å; G355-F357 PolarHBondContact O-N 3.28Å; F357-S359 VanDerWaalsContact C-N 3.27Å; F357-S359 PolarHBondContact O-N 3.28Å; F357-F360 PolarHBondContact O-N 2.89Å; F357-F360 VanDerWaalsContact O-N 3.13Å; F357-M361 HydrophobicContact CE2-CB 4.28Å; F357-M361 HydrophobicContact CZ-CB 4.5Å; F357-M361 PolarHBondContact O-N 2.88Å |
| 358 | F | 87.2 | Confident | 83.8 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.6 | -30.4 | -179.4 | -75 | -70.1 | 0 | 0 | 0 | 112.7 | V337 K340 L341 Y354 M361 L362 | V337-F358 HydrophobicContact CG1-CB 4.09Å; V337-F358 HydrophobicContact CG1-CD1 4.17Å; V337-F358 VanDerWaalsContact CG1-O 3.28Å; V337-F358 WeakPolarHBondContact CG1-O 3.34Å; K340-F358 HydrophobicContact CB-CD1 3.82Å; K340-F358 HydrophobicContact CB-CD2 3.93Å; K340-F358 HydrophobicContact CB-CE1 3.8Å; K340-F358 HydrophobicContact CB-CE2 3.95Å; K340-F358 HydrophobicContact CB-CG 3.89Å; K340-F358 HydrophobicContact CB-CZ 3.87Å; K340-F358 HydrophobicContact CG-CD1 4.28Å; K340-F358 HydrophobicContact CG-CE1 3.8Å; K340-F358 HydrophobicContact CG-CE2 4.4Å; K340-F358 HydrophobicContact CG-CZ 3.86Å; L341-F358 HydrophobicContact CD2-CB 3.7Å; L341-F358 HydrophobicContact CG-CB 3.84Å; Y354-F358 AromaticContact CD1-CD2 3.86Å; Y354-F358 HydrophobicContact CD1-CD2 3.86Å; Y354-F358 AromaticContact CD1-CE2 3.91Å; Y354-F358 HydrophobicContact CD1-CE2 3.91Å; Y354-F358 HydrophobicContact CD2-CE2 4.03Å; Y354-F358 AromaticContact CE1-CD2 3.63Å; Y354-F358 HydrophobicContact CE1-CD2 3.63Å; Y354-F358 AromaticContact CE1-CE2 3.42Å; Y354-F358 HydrophobicContact CE1-CE2 3.42Å; Y354-F358 VanDerWaalsContact CE1-CE2 3.42Å; Y354-F358 HydrophobicContact CE2-CD2 4.46Å; Y354-F358 AromaticContact CE2-CE2 3.57Å; Y354-F358 HydrophobicContact CE2-CE2 3.57Å; Y354-F358 HydrophobicContact CE2-CZ 4.38Å; Y354-F358 HydrophobicContact CG-CD2 4.37Å; Y354-F358 HydrophobicContact CG-CE2 4.19Å; Y354-F358 AromaticContact CZ-CD2 3.97Å; Y354-F358 AromaticContact CZ-CE2 3.24Å; Y354-F358 VanDerWaalsContact O-CD2 3.3Å; Y354-F358 WeakPolarHBondContact O-CD2 3.15Å; Y354-F358 PolarHBondContact O-N 3.2Å; F358-M361 PolarHBondContact O-N 2.98Å; F358-L362 WeakPolarHBondContact O-CB 3.48Å; F358-L362 PolarHBondContact O-N 3Å |
| 359 | S | 88.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 171.5 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | G355 I356 F357 L362 L363 F1199 | G355-S359 WeakPolarHBondContact O-CB 3.4Å; G355-S359 PolarHBondContact O-N 3.45Å; G355-S359 VanDerWaalsContact O-N 3.1Å; G355-S359 PolarHBondContact O-OG 3.28Å; I356-S359 PolarHBondContact O-N 3.3Å; F357-S359 VanDerWaalsContact C-N 3.27Å; F357-S359 PolarHBondContact O-N 3.28Å; S359-L362 WeakPolarHBondContact O-CB 3.23Å; S359-L362 PolarHBondContact O-N 2.93Å; S359-L363 PolarHBondContact O-N 3.3Å; S359-F1199 WeakPolarHBondContact O-CD2 3.13Å |
| 360 | F | 87.6 | Confident | 84.8 | Confident | 84 Ų | 84 | 33.6 Ų | 33.6 | 37% | 0.368 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -70 | -36.3 | 176.6 | -168.8 | -103.1 | 0 | 0 | 0 | 112.6 | I356 F357 L362 L363 L364 F1199 | I356-F360 PolarHBondContact O-N 3.27Å; F357-F360 PolarHBondContact O-N 2.89Å; F357-F360 VanDerWaalsContact O-N 3.13Å; F360-L362 VanDerWaalsContact C-N 3.29Å; F360-L362 PolarHBondContact O-N 3.38Å; F360-L363 HydrophobicContact CD2-CD2 4.16Å; F360-L363 HydrophobicContact CE2-CD2 4.18Å; F360-L363 WeakPolarHBondContact O-CB 3.3Å; F360-L363 PolarHBondContact O-N 3.09Å; F360-L364 HydrophobicContact CD1-CD1 3.84Å; F360-L364 HydrophobicContact CD1-CG 4.09Å; F360-L364 HydrophobicContact CE1-CD1 3.57Å; F360-L364 HydrophobicContact CE1-CD2 4.13Å; F360-L364 HydrophobicContact CE1-CG 3.82Å; F360-L364 HydrophobicContact CZ-CD1 4.5Å; F360-L364 HydrophobicContact CZ-CD2 4.28Å; F360-L364 HydrophobicContact CZ-CG 4.36Å; F360-L364 PolarHBondContact O-N 3.35Å; F360-F1199 HydrophobicContact CD2-CE2 4.49Å |
| 361 | M | 85.2 | Confident | 85.3 | Confident | 48 Ų | 48 | 34.3 Ų | 34.3 | 24% | 0.236 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.3 | -169.7 | 61.8 | -178.3 | 0 | 0 | 111.2 | V337 F357 F358 L363 L364 I365 | V337-M361 HydrophobicContact CG2-CG 4.29Å; F357-M361 HydrophobicContact CE2-CB 4.28Å; F357-M361 HydrophobicContact CZ-CB 4.5Å; F357-M361 PolarHBondContact O-N 2.88Å; F358-M361 PolarHBondContact O-N 2.98Å; M361-L363 VanDerWaalsContact C-N 3.32Å; M361-L363 PolarHBondContact O-N 3.18Å; M361-L364 PolarHBondContact O-N 3.01Å; M361-I365 HydrophobicContact CE-CD1 3.94Å; M361-I365 HydrophobicContact CE-CG1 4.04Å; M361-I365 HydrophobicContact CG-CD1 3.83Å; M361-I365 HydrophobicContact CG-CG1 4.4Å; M361-I365 WeakPolarHBondContact O-CB 3.03Å; M361-I365 VanDerWaalsContact O-CG1 3.28Å; M361-I365 WeakPolarHBondContact O-CG1 3.49Å; M361-I365 PolarHBondContact O-N 3.07Å; M361-I365 HydrophobicContact SD-CD1 4.48Å |
| 362 | L | 88.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 175.1 | -167.2 | 61.4 | 0 | 0 | 0 | 112.1 | K334 V337 L341 F358 S359 F360 G366 V1198 A1202 I1223 L1227 | K334-L362 HydrophobicContact CB-CD1 4.08Å; K334-L362 HydrophobicContact CG-CD1 4.12Å; V337-L362 HydrophobicContact CB-CD1 4.38Å; V337-L362 HydrophobicContact CG1-CB 4Å; V337-L362 HydrophobicContact CG1-CD1 4.19Å; L341-L362 HydrophobicContact CD1-CD2 4.41Å; F358-L362 WeakPolarHBondContact O-CB 3.48Å; F358-L362 PolarHBondContact O-N 3Å; S359-L362 WeakPolarHBondContact O-CB 3.23Å; S359-L362 PolarHBondContact O-N 2.93Å; F360-L362 VanDerWaalsContact C-N 3.29Å; F360-L362 PolarHBondContact O-N 3.38Å; L362-G366 PolarHBondContact O-N 3.24Å; L362-V1198 HydrophobicContact CD2-CG1 3.5Å; L362-V1198 HydrophobicContact CG-CG1 4Å; L362-A1202 HydrophobicContact CD2-CB 4.45Å; L362-I1223 HydrophobicContact CD2-CG2 4.24Å; L362-L1227 HydrophobicContact CD1-CD2 4.25Å |
| 363 | L | 89.7 | Confident | 85.9 | Confident | 23 Ų | 23 | 31 Ų | 31 | 12% | 0.12 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 174.1 | 175.4 | 64.1 | 0 | 0 | 0 | 111.8 | S359 F360 M361 G366 I367 T1195 F1199 | S359-L363 PolarHBondContact O-N 3.3Å; F360-L363 HydrophobicContact CD2-CD2 4.16Å; F360-L363 HydrophobicContact CE2-CD2 4.18Å; F360-L363 WeakPolarHBondContact O-CB 3.3Å; F360-L363 PolarHBondContact O-N 3.09Å; M361-L363 VanDerWaalsContact C-N 3.32Å; M361-L363 PolarHBondContact O-N 3.18Å; L363-G366 PolarHBondContact O-N 3.03Å; L363-I367 HydrophobicContact CD1-CD1 3.83Å; L363-I367 HydrophobicContact CD1-CG1 4.33Å; L363-I367 HydrophobicContact CG-CD1 4.01Å; L363-I367 WeakPolarHBondContact O-CG1 3.3Å; L363-I367 PolarHBondContact O-N 2.86Å; L363-T1195 HydrophobicContact CD1-CG2 3.82Å; L363-F1199 HydrophobicContact CB-CB 4.13Å; L363-F1199 HydrophobicContact CB-CD2 3.85Å; L363-F1199 HydrophobicContact CB-CG 4.16Å; L363-F1199 HydrophobicContact CD1-CB 4.05Å; L363-F1199 HydrophobicContact CD1-CG 4.39Å; L363-F1199 HydrophobicContact CD2-CD1 4.32Å; L363-F1199 HydrophobicContact CD2-CD2 4.01Å; L363-F1199 HydrophobicContact CD2-CE2 4.29Å; L363-F1199 HydrophobicContact CD2-CG 4.03Å; L363-F1199 HydrophobicContact CG-CB 4.46Å; L363-F1199 HydrophobicContact CG-CD2 4.45Å; L363-F1199 HydrophobicContact CG-CG 4.42Å |
| 364 | L | 86.6 | Confident | 86.5 | Confident | 43 Ų | 43 | 29.4 Ų | 29.4 | 23% | 0.225 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.1 | -48.5 | -180 | -70.9 | 179 | 0 | 0 | 0 | 111.9 | F360 M361 G366 I367 F368 | F360-L364 HydrophobicContact CD1-CD1 3.84Å; F360-L364 HydrophobicContact CD1-CG 4.09Å; F360-L364 HydrophobicContact CE1-CD1 3.57Å; F360-L364 HydrophobicContact CE1-CD2 4.13Å; F360-L364 HydrophobicContact CE1-CG 3.82Å; F360-L364 HydrophobicContact CZ-CD1 4.5Å; F360-L364 HydrophobicContact CZ-CD2 4.28Å; F360-L364 HydrophobicContact CZ-CG 4.36Å; F360-L364 PolarHBondContact O-N 3.35Å; M361-L364 PolarHBondContact O-N 3.01Å; L364-G366 VanDerWaalsContact C-N 3.29Å; L364-G366 PolarHBondContact O-N 3.33Å; L364-I367 PolarHBondContact O-N 3.5Å; L364-F368 HydrophobicContact CD2-CE2 4.44Å; L364-F368 WeakPolarHBondContact O-CD2 3.31Å; L364-F368 PolarHBondContact O-N 3.26Å |
| 365 | I | 89.3 | Confident | 86.7 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.7 | -47 | 177.3 | -70.2 | 165.7 | 0 | 0 | 0 | 109.8 | L330 M333 K334 V337 M361 I367 F368 Q369 | L330-I365 HydrophobicContact CB-CG2 4.31Å; L330-I365 WeakPolarHBondContact O-CG2 3.43Å; M333-I365 HydrophobicContact CB-CD1 3.87Å; M333-I365 HydrophobicContact CB-CG2 4.38Å; K334-I365 HydrophobicContact CG-CG2 3.94Å; V337-I365 HydrophobicContact CG2-CD1 3.78Å; M361-I365 HydrophobicContact CE-CD1 3.94Å; M361-I365 HydrophobicContact CE-CG1 4.04Å; M361-I365 HydrophobicContact CG-CD1 3.83Å; M361-I365 HydrophobicContact CG-CG1 4.4Å; M361-I365 WeakPolarHBondContact O-CB 3.03Å; M361-I365 VanDerWaalsContact O-CG1 3.28Å; M361-I365 WeakPolarHBondContact O-CG1 3.49Å; M361-I365 PolarHBondContact O-N 3.07Å; M361-I365 HydrophobicContact SD-CD1 4.48Å; I365-I367 PolarHBondContact O-N 3.34Å; I365-F368 PolarHBondContact O-N 2.87Å; I365-Q369 WeakPolarHBondContact O-CB 3.15Å; I365-Q369 PolarHBondContact O-N 2.96Å |
| 366 | G | 87.2 | Confident | 86.9 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -48.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L362 L363 L364 F368 S370 | L362-G366 PolarHBondContact O-N 3.24Å; L363-G366 PolarHBondContact O-N 3.03Å; L364-G366 VanDerWaalsContact C-N 3.29Å; L364-G366 PolarHBondContact O-N 3.33Å; G366-F368 PolarHBondContact O-N 3.12Å; G366-S370 VanDerWaalsContact O-CB 3.25Å; G366-S370 WeakPolarHBondContact O-CB 3.5Å; G366-S370 PolarHBondContact O-N 3.11Å; G366-S370 PolarHBondContact O-OG 2.91Å |
| 367 | I | 86.5 | Confident | 87 | Confident | 42 Ų | 42 | 28.7 Ų | 28.7 | 22% | 0.215 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 179.7 | -67.4 | 167.1 | 0 | 0 | 0 | 111.6 | L363 L364 I365 L371 F1192 T1195 | L363-I367 HydrophobicContact CD1-CD1 3.83Å; L363-I367 HydrophobicContact CD1-CG1 4.33Å; L363-I367 HydrophobicContact CG-CD1 4.01Å; L363-I367 WeakPolarHBondContact O-CG1 3.3Å; L363-I367 PolarHBondContact O-N 2.86Å; L364-I367 PolarHBondContact O-N 3.5Å; I365-I367 PolarHBondContact O-N 3.34Å; I367-L371 HydrophobicContact CG2-CD1 4.02Å; I367-L371 VanDerWaalsContact O-CG 3.3Å; I367-L371 WeakPolarHBondContact O-CG 3.22Å; I367-L371 PolarHBondContact O-N 2.91Å; I367-F1192 HydrophobicContact CD1-CD2 4.47Å; I367-F1192 HydrophobicContact CD1-CE2 4Å; I367-F1192 HydrophobicContact CG1-CD2 4.21Å; I367-F1192 HydrophobicContact CG1-CE2 4.25Å; I367-T1195 HydrophobicContact CG1-CG2 4.32Å |
| 368 | F | 86.2 | Confident | 87 | Confident | 74 Ų | 74 | 27.6 Ų | 27.6 | 33% | 0.325 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -68.7 | -44.1 | -178 | -77.9 | -64 | 0 | 0 | 0 | 112.5 | F65 L330 L364 I365 G366 S370 L371 L372 | F65-F368 HydrophobicContact CE1-CE1 4.4Å; F65-F368 HydrophobicContact CE2-CE1 4.03Å; F65-F368 AromaticContact CE2-CZ 3.93Å; F65-F368 HydrophobicContact CE2-CZ 3.93Å; F65-F368 HydrophobicContact CZ-CD1 4.38Å; F65-F368 AromaticContact CZ-CE1 3.39Å; F65-F368 HydrophobicContact CZ-CE1 3.39Å; F65-F368 AromaticContact CZ-CZ 3.5Å; F65-F368 HydrophobicContact CZ-CZ 3.5Å; F65-F368 VanDerWaalsContact CZ-CZ 3.5Å; L330-F368 HydrophobicContact CD1-CB 4.05Å; L364-F368 HydrophobicContact CD2-CE2 4.44Å; L364-F368 WeakPolarHBondContact O-CD2 3.31Å; L364-F368 PolarHBondContact O-N 3.26Å; I365-F368 PolarHBondContact O-N 2.87Å; G366-F368 PolarHBondContact O-N 3.12Å; F368-S370 VanDerWaalsContact C-N 3.34Å; F368-S370 PolarHBondContact O-N 3.26Å; F368-L371 PolarHBondContact O-N 3.28Å; F368-L372 WeakPolarHBondContact O-CB 3.4Å; F368-L372 VanDerWaalsContact O-CG 3.31Å; F368-L372 WeakPolarHBondContact O-CG 3.28Å; F368-L372 PolarHBondContact O-N 3.09Å |
| 369 | Q | 89.1 | Confident | 86.9 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.4 | -48.5 | 176.3 | -178.9 | -87.8 | -43.1 | 0 | 0 | 110.6 | S327 L330 E331 I365 L371 L372 L373 | S327-Q369 PolarHBondContact OG-O 3.44Å; L330-Q369 HydrophobicContact CB-CB 3.84Å; L330-Q369 HydrophobicContact CB-CG 4.12Å; L330-Q369 HydrophobicContact CD1-CB 4.27Å; E331-Q369 HydrophobicContact CB-CG 4.49Å; E331-Q369 WeakPolarHBondContact OE2-CG 3.4Å; E331-Q369 PolarHBondContact OE2-NE2 2.75Å; E331-Q369 PolarHBondContact OE2-OE1 2.81Å; I365-Q369 WeakPolarHBondContact O-CB 3.15Å; I365-Q369 PolarHBondContact O-N 2.96Å; Q369-L371 PolarHBondContact O-N 2.98Å; Q369-L372 PolarHBondContact O-N 2.74Å; Q369-L373 WeakPolarHBondContact O-CB 3.29Å; Q369-L373 PolarHBondContact O-N 2.93Å |
| 370 | S | 85.7 | Confident | 87 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 5% | 0.049 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.4 | -48.3 | 175.4 | -79.3 | 0 | 0 | 0 | 0 | 113.9 | G366 F368 L372 L373 Q374 E1191 | G366-S370 VanDerWaalsContact O-CB 3.25Å; G366-S370 WeakPolarHBondContact O-CB 3.5Å; G366-S370 PolarHBondContact O-N 3.11Å; G366-S370 PolarHBondContact O-OG 2.91Å; F368-S370 VanDerWaalsContact C-N 3.34Å; F368-S370 PolarHBondContact O-N 3.26Å; S370-L372 PolarHBondContact O-N 2.93Å; S370-L373 PolarHBondContact O-N 3.12Å; S370-Q374 VanDerWaalsContact O-CG 3.32Å; S370-Q374 WeakPolarHBondContact O-CG 3.4Å; S370-Q374 PolarHBondContact O-N 3.08Å; S370-E1191 WeakPolarHBondContact CA-OE2 3.49Å; S370-E1191 WeakPolarHBondContact CB-OE2 3.27Å; S370-E1191 WeakPolarHBondContact OG-CB 3.23Å; S370-E1191 PolarHBondContact OG-OE2 3.48Å |
| 371 | L | 84.8 | Confident | 87 | Confident | 43 Ų | 43 | 26.3 Ų | 26.3 | 23% | 0.225 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 179.9 | -73.2 | 175.2 | 0 | 0 | 0 | 112.6 | P219 I367 F368 Q369 T375 V1188 | P219-L371 HydrophobicContact CG-CD1 4.01Å; P219-L371 HydrophobicContact CG-CD2 3.91Å; I367-L371 HydrophobicContact CG2-CD1 4.02Å; I367-L371 VanDerWaalsContact O-CG 3.3Å; I367-L371 WeakPolarHBondContact O-CG 3.22Å; I367-L371 PolarHBondContact O-N 2.91Å; F368-L371 PolarHBondContact O-N 3.28Å; Q369-L371 PolarHBondContact O-N 2.98Å; L371-T375 WeakPolarHBondContact O-CB 3.31Å; L371-T375 PolarHBondContact O-N 2.88Å; L371-T375 PolarHBondContact O-OG1 2.82Å; L371-V1188 HydrophobicContact CD2-CG1 3.92Å |
| 372 | L | 87.3 | Confident | 87.1 | Confident | 32 Ų | 32 | 24.9 Ų | 24.9 | 17% | 0.168 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 177.1 | -69.6 | 171.4 | 0 | 0 | 0 | 111 | V323 I326 L330 F368 Q369 S370 Q374 T375 Y376 | V323-L372 HydrophobicContact CG1-CB 4.1Å; V323-L372 HydrophobicContact CG1-CD2 4.11Å; V323-L372 WeakPolarHBondContact CG1-O 3.47Å; I326-L372 HydrophobicContact CB-CD1 4.2Å; I326-L372 HydrophobicContact CG2-CD1 3.56Å; L330-L372 HydrophobicContact CD1-CD1 3.76Å; F368-L372 WeakPolarHBondContact O-CB 3.4Å; F368-L372 VanDerWaalsContact O-CG 3.31Å; F368-L372 WeakPolarHBondContact O-CG 3.28Å; F368-L372 PolarHBondContact O-N 3.09Å; Q369-L372 PolarHBondContact O-N 2.74Å; S370-L372 PolarHBondContact O-N 2.93Å; L372-Q374 PolarHBondContact O-N 3.23Å; L372-T375 WeakPolarHBondContact O-CB 3.49Å; L372-T375 PolarHBondContact O-N 2.92Å; L372-Y376 PolarHBondContact O-N 2.79Å |
| 373 | L | 86.9 | Confident | 87.2 | Confident | 26 Ų | 26 | 25.4 Ų | 25.4 | 14% | 0.136 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 177.4 | -176.5 | 62.2 | 0 | 0 | 0 | 111.8 | K324 Q369 S370 T375 Y376 Y377 | K324-L373 HydrophobicContact CD-CD1 4.48Å; Q369-L373 WeakPolarHBondContact O-CB 3.29Å; Q369-L373 PolarHBondContact O-N 2.93Å; S370-L373 PolarHBondContact O-N 3.12Å; L373-T375 VanDerWaalsContact C-N 3.33Å; L373-T375 PolarHBondContact O-N 2.95Å; L373-Y376 HydrophobicContact CD1-CD1 4.46Å; L373-Y376 WeakPolarHBondContact O-CB 3.38Å; L373-Y376 PolarHBondContact O-N 3.15Å; L373-Y377 HydrophobicContact CD1-CD2 4.2Å; L373-Y377 HydrophobicContact CD1-CE2 3.65Å; L373-Y377 HydrophobicContact CD2-CE2 4.35Å; L373-Y377 HydrophobicContact CG-CD2 4.1Å; L373-Y377 HydrophobicContact CG-CE2 3.76Å; L373-Y377 WeakPolarHBondContact O-CD2 3.48Å; L373-Y377 PolarHBondContact O-N 2.74Å; L373-Y377 VanDerWaalsContact O-N 3.11Å |
| 374 | Q | 86.6 | Confident | 87.2 | Confident | 11 Ų | 11 | 24.5 Ų | 24.5 | 5% | 0.051 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.7 | -28.8 | 179.7 | -62 | -55.5 | -25.1 | 0 | 0 | 112.9 | S370 L372 A378 A1187 V1188 E1191 | S370-Q374 VanDerWaalsContact O-CG 3.32Å; S370-Q374 WeakPolarHBondContact O-CG 3.4Å; S370-Q374 PolarHBondContact O-N 3.08Å; L372-Q374 PolarHBondContact O-N 3.23Å; Q374-A378 WeakPolarHBondContact O-CB 3.23Å; Q374-A378 PolarHBondContact O-N 2.82Å; Q374-A1187 HydrophobicContact CG-CB 4.31Å; Q374-V1188 HydrophobicContact CB-CG2 3.55Å; Q374-V1188 HydrophobicContact CG-CG2 3.62Å; Q374-E1191 PolarHBondContact NE2-OE1 2.81Å |
| 375 | T | 84.7 | Confident | 87.4 | Confident | 16 Ų | 16 | 22.4 Ų | 22.4 | 10% | 0.098 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.2 | -44 | 170.9 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | L216 L217 L371 L372 L373 Y377 A378 I379 | L216-T375 HydrophobicContact CB-CG2 4.38Å; L216-T375 HydrophobicContact CD2-CG2 4.17Å; L217-T375 HydrophobicContact CD2-CG2 4.22Å; L371-T375 WeakPolarHBondContact O-CB 3.31Å; L371-T375 PolarHBondContact O-N 2.88Å; L371-T375 PolarHBondContact O-OG1 2.82Å; L372-T375 WeakPolarHBondContact O-CB 3.49Å; L372-T375 PolarHBondContact O-N 2.92Å; L373-T375 VanDerWaalsContact C-N 3.33Å; L373-T375 PolarHBondContact O-N 2.95Å; T375-Y377 PolarHBondContact O-N 2.93Å; T375-A378 PolarHBondContact O-N 2.91Å; T375-I379 HydrophobicContact CG2-CD1 4.23Å; T375-I379 WeakPolarHBondContact O-CG1 3.27Å; T375-I379 PolarHBondContact O-N 2.86Å; T375-I379 VanDerWaalsContact O-N 3.07Å |
| 376 | Y | 88.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -52.7 | -53.3 | 173.5 | 158.9 | -98.5 | 0 | 0 | 0 | 110.9 | S320 K324 L372 L373 A378 I379 T380 P431 L434 | S320-Y376 WeakPolarHBondContact O-CD2 3.22Å; K324-Y376 HydrophobicContact CB-CD2 3.68Å; K324-Y376 HydrophobicContact CB-CE2 3.93Å; K324-Y376 HydrophobicContact CB-CG 4.17Å; K324-Y376 HydrophobicContact CD-CD1 4.48Å; K324-Y376 HydrophobicContact CG-CD2 4.36Å; K324-Y376 HydrophobicContact CG-CE2 4.25Å; L372-Y376 PolarHBondContact O-N 2.79Å; L373-Y376 HydrophobicContact CD1-CD1 4.46Å; L373-Y376 WeakPolarHBondContact O-CB 3.38Å; L373-Y376 PolarHBondContact O-N 3.15Å; Y376-A378 VanDerWaalsContact C-N 3.34Å; Y376-A378 PolarHBondContact O-N 2.78Å; Y376-I379 PolarHBondContact O-N 3.4Å; Y376-T380 HydrophobicContact CD2-CG2 4.12Å; Y376-T380 HydrophobicContact CE2-CG2 3.7Å; Y376-T380 PolarHBondContact O-N 2.94Å; Y376-T380 VanDerWaalsContact O-N 3.08Å; Y376-T380 PolarHBondContact O-OG1 3.16Å; Y376-P431 PolarHBondContact OH-O 2.99Å; Y376-L434 HydrophobicContact CE2-CB 4.06Å; Y376-L434 HydrophobicContact CE2-CD1 3.78Å |
| 377 | Y | 87.2 | Confident | 87.8 | Confident | 62 Ų | 62 | 23.2 Ų | 23.2 | 24% | 0.243 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 179 | -76.7 | -63.3 | 0 | 0 | 0 | 112.4 | L373 T375 I379 T380 F381 P431 | L373-Y377 HydrophobicContact CD1-CD2 4.2Å; L373-Y377 HydrophobicContact CD1-CE2 3.65Å; L373-Y377 HydrophobicContact CD2-CE2 4.35Å; L373-Y377 HydrophobicContact CG-CD2 4.1Å; L373-Y377 HydrophobicContact CG-CE2 3.76Å; L373-Y377 WeakPolarHBondContact O-CD2 3.48Å; L373-Y377 PolarHBondContact O-N 2.74Å; L373-Y377 VanDerWaalsContact O-N 3.11Å; T375-Y377 PolarHBondContact O-N 2.93Å; Y377-I379 VanDerWaalsContact C-N 3.3Å; Y377-I379 PolarHBondContact O-N 2.87Å; Y377-T380 WeakPolarHBondContact CA-OG1 3.45Å; Y377-T380 PolarHBondContact O-N 2.88Å; Y377-T380 PolarHBondContact O-OG1 3.17Å; Y377-T380 VanDerWaalsContact O-OG1 3.13Å; Y377-F381 HydrophobicContact CD1-CE2 4.06Å; Y377-F381 HydrophobicContact CG-CE2 4.49Å; Y377-F381 WeakPolarHBondContact O-CB 3.23Å; Y377-F381 WeakPolarHBondContact O-CD2 3.42Å; Y377-F381 PolarHBondContact O-N 2.71Å; Y377-P431 HydrophobicContact CD1-CB 4.33Å; Y377-P431 HydrophobicContact CE1-CB 4.42Å |
| 378 | A | 84.5 | Confident | 88 | Confident | 13 Ų | 13 | 21.2 Ų | 21.2 | 11% | 0.107 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.1 | -34.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L216 Q374 T375 Y376 R382 R1184 | L216-A378 HydrophobicContact CD2-CB 3.57Å; Q374-A378 WeakPolarHBondContact O-CB 3.23Å; Q374-A378 PolarHBondContact O-N 2.82Å; T375-A378 PolarHBondContact O-N 2.91Å; Y376-A378 VanDerWaalsContact C-N 3.34Å; Y376-A378 PolarHBondContact O-N 2.78Å; A378-R382 WeakPolarHBondContact O-CB 3.48Å; A378-R382 PolarHBondContact O-N 3Å; A378-R1184 HydrophobicContact CB-CG 4.31Å |
| 379 | I | 85.5 | Confident | 88.4 | Confident | 24 Ų | 24 | 17.7 Ų | 17.7 | 12% | 0.123 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.9 | -50 | 175.1 | -63.6 | 171.5 | 0 | 0 | 0 | 110.4 | L216 H316 T375 Y376 Y377 R382 V383 | L216-I379 HydrophobicContact CD2-CG1 3.65Å; H316-I379 HydrophobicContact CB-CG2 4.19Å; T375-I379 HydrophobicContact CG2-CD1 4.23Å; T375-I379 WeakPolarHBondContact O-CG1 3.27Å; T375-I379 PolarHBondContact O-N 2.86Å; T375-I379 VanDerWaalsContact O-N 3.07Å; Y376-I379 PolarHBondContact O-N 3.4Å; Y377-I379 VanDerWaalsContact C-N 3.3Å; Y377-I379 PolarHBondContact O-N 2.87Å; I379-R382 PolarHBondContact O-N 3.33Å; I379-V383 WeakPolarHBondContact O-CG2 3.2Å; I379-V383 PolarHBondContact O-N 2.72Å |
| 380 | T | 88.7 | Confident | 88.6 | Confident | 7 Ų | 7 | 17.3 Ų | 17.3 | 4% | 0.043 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.5 | -41 | -175.1 | 53 | 0 | 0 | 0 | 0 | 112.4 | Y376 Y377 R382 V383 G384 L434 | Y376-T380 HydrophobicContact CD2-CG2 4.12Å; Y376-T380 HydrophobicContact CE2-CG2 3.7Å; Y376-T380 PolarHBondContact O-N 2.94Å; Y376-T380 VanDerWaalsContact O-N 3.08Å; Y376-T380 PolarHBondContact O-OG1 3.16Å; Y377-T380 WeakPolarHBondContact CA-OG1 3.45Å; Y377-T380 PolarHBondContact O-N 2.88Å; Y377-T380 PolarHBondContact O-OG1 3.17Å; Y377-T380 VanDerWaalsContact O-OG1 3.13Å; T380-R382 VanDerWaalsContact C-N 3.33Å; T380-R382 PolarHBondContact O-N 3.35Å; T380-V383 PolarHBondContact O-N 2.77Å; T380-G384 PolarHBondContact O-N 3.22Å; T380-L434 HydrophobicContact CG2-CD1 4.4Å |
| 381 | F | 88.8 | Confident | 89 | Confident | 53 Ų | 53 | 17 Ų | 17 | 23% | 0.232 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.5 | -36.3 | 173.9 | -80.4 | -62.7 | 0 | 0 | 0 | 112.8 | Y377 G384 M385 P431 I1180 | Y377-F381 HydrophobicContact CD1-CE2 4.06Å; Y377-F381 HydrophobicContact CG-CE2 4.49Å; Y377-F381 WeakPolarHBondContact O-CB 3.23Å; Y377-F381 WeakPolarHBondContact O-CD2 3.42Å; Y377-F381 PolarHBondContact O-N 2.71Å; F381-G384 PolarHBondContact O-N 3.48Å; F381-M385 PolarHBondContact O-N 3.42Å; F381-P431 HydrophobicContact CD1-CG 3.75Å; F381-P431 HydrophobicContact CE1-CB 4.34Å; F381-P431 HydrophobicContact CE1-CG 3.36Å; F381-P431 HydrophobicContact CE2-CG 4.3Å; F381-P431 HydrophobicContact CG-CG 4.35Å; F381-P431 HydrophobicContact CZ-CB 4.16Å; F381-P431 HydrophobicContact CZ-CG 3.66Å; F381-I1180 HydrophobicContact CB-CD1 3.98Å; F381-I1180 HydrophobicContact CB-CG1 4.37Å; F381-I1180 HydrophobicContact CB-CG2 3.55Å; F381-I1180 HydrophobicContact CD2-CG2 4.15Å; F381-I1180 HydrophobicContact CG-CG2 3.97Å |
| 382 | R | 87.1 | Confident | 89.4 | Confident | 19 Ų | 19 | 15 Ų | 15 | 7% | 0.072 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.7 | -38.5 | 175.4 | -172.6 | -176.1 | -170.5 | 160.9 | 8.1 | 112.1 | D249 A378 I379 T380 G384 M385 N386 F1177 | D249-R382 IonicContact OD1-CZ 2.78Å; D249-R382 IonicContact OD1-NE 2.98Å; D249-R382 PolarHBondContact OD1-NE 3.37Å; D249-R382 IonicContact OD1-NH2 3.67Å; D249-R382 PolarHBondContact OD1-NH2 2.93Å; D249-R382 IonicContact OD2-CZ 2.61Å; D249-R382 IonicContact OD2-NE 3.2Å; D249-R382 IonicContact OD2-NH2 3.76Å; D249-R382 PolarHBondContact OD2-NH2 3.4Å; A378-R382 WeakPolarHBondContact O-CB 3.48Å; A378-R382 PolarHBondContact O-N 3Å; I379-R382 PolarHBondContact O-N 3.33Å; T380-R382 VanDerWaalsContact C-N 3.33Å; T380-R382 PolarHBondContact O-N 3.35Å; R382-G384 VanDerWaalsContact C-N 3.33Å; R382-M385 HydrophobicContact CG-CE 4.38Å; R382-M385 WeakPolarHBondContact O-CB 3.37Å; R382-M385 PolarHBondContact O-N 2.94Å; R382-N386 PolarHBondContact O-N 2.97Å; R382-F1177 HydrophobicContact CG-CE2 4.49Å |
| 383 | V | 89.3 | Confident | 89.7 | Confident | 15 Ų | 15 | 13.5 Ų | 13.5 | 9% | 0.091 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 172.8 | 171.6 | 0 | 0 | 0 | 0 | 109.8 | F313 H316 I379 T380 M385 N386 L387 | F313-V383 HydrophobicContact CB-CG1 4.01Å; F313-V383 HydrophobicContact CB-CG2 4.47Å; F313-V383 HydrophobicContact CD1-CG1 4.39Å; F313-V383 HydrophobicContact CD1-CG2 4.43Å; F313-V383 HydrophobicContact CD2-CG1 4.2Å; F313-V383 HydrophobicContact CG-CG1 3.94Å; H316-V383 HydrophobicContact CB-CG2 3.74Å; I379-V383 WeakPolarHBondContact O-CG2 3.2Å; I379-V383 PolarHBondContact O-N 2.72Å; T380-V383 PolarHBondContact O-N 2.77Å; V383-M385 PolarHBondContact O-N 3.19Å; V383-N386 PolarHBondContact O-N 3.39Å; V383-L387 HydrophobicContact CG1-CD1 3.85Å; V383-L387 HydrophobicContact CG1-CG 4.31Å; V383-L387 VanDerWaalsContact O-CG 3.28Å; V383-L387 WeakPolarHBondContact O-CG 3.25Å; V383-L387 PolarHBondContact O-N 3.43Å |
| 384 | G | 91.1 | Very high | 90 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 4% | 0.041 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -52.6 | -55.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T380 F381 R382 N386 L387 K388 L427 | T380-G384 PolarHBondContact O-N 3.22Å; F381-G384 PolarHBondContact O-N 3.48Å; R382-G384 VanDerWaalsContact C-N 3.33Å; G384-N386 VanDerWaalsContact C-N 3.29Å; G384-N386 PolarHBondContact O-N 3.09Å; G384-L387 WeakPolarHBondContact O-CA 3.46Å; G384-L387 WeakPolarHBondContact O-CB 3.48Å; G384-L387 PolarHBondContact O-N 2.84Å; G384-K388 PolarHBondContact O-N 3.36Å; G384-L427 WeakPolarHBondContact O-CD2 3.47Å |
| 385 | M | 90.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -50 | -45.4 | 177.6 | -172.1 | -173.9 | 79.1 | 0 | 0 | 114 | D249 F381 R382 V383 K388 S389 Q1173 Y1176 F1177 | D249-M385 HydrophobicContact CB-CE 4.27Å; F381-M385 PolarHBondContact O-N 3.42Å; R382-M385 HydrophobicContact CG-CE 4.38Å; R382-M385 WeakPolarHBondContact O-CB 3.37Å; R382-M385 PolarHBondContact O-N 2.94Å; V383-M385 PolarHBondContact O-N 3.19Å; M385-K388 WeakPolarHBondContact O-CB 3.04Å; M385-K388 PolarHBondContact O-N 3.33Å; M385-S389 PolarHBondContact O-N 3.13Å; M385-S389 PolarHBondContact O-OG 3.2Å; M385-Q1173 HydrophobicContact CG-CG 4.46Å; M385-Y1176 HydrophobicContact CB-CD1 4.26Å; M385-Y1176 HydrophobicContact CB-CE1 4.08Å; M385-Y1176 HydrophobicContact CG-CD1 3.78Å; M385-Y1176 HydrophobicContact CG-CE1 4.11Å; M385-Y1176 HydrophobicContact SD-CD1 4.18Å; M385-F1177 HydrophobicContact CE-CD2 4.04Å; M385-F1177 HydrophobicContact SD-CB 3.71Å; M385-F1177 HydrophobicContact SD-CD2 3.79Å; M385-F1177 HydrophobicContact SD-CG 4.19Å |
| 386 | N | 91.7 | Very high | 90.7 | Very high | 10 Ų | 10 | 11.5 Ų | 11.5 | 5% | 0.053 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -72.5 | -35.1 | 179.9 | -70 | -11.4 | 0 | 0 | 0 | 111.7 | D249 L254 F313 R382 V383 G384 S389 I390 | D249-N386 PolarHBondContact OD1-ND2 3.18Å; L254-N386 HydrophobicContact CD1-CB 3.82Å; L254-N386 HydrophobicContact CD2-CB 4.15Å; F313-N386 HydrophobicContact CE1-CB 3.76Å; F313-N386 HydrophobicContact CZ-CB 3.6Å; R382-N386 PolarHBondContact O-N 2.97Å; V383-N386 PolarHBondContact O-N 3.39Å; G384-N386 VanDerWaalsContact C-N 3.29Å; G384-N386 PolarHBondContact O-N 3.09Å; N386-S389 PolarHBondContact O-N 2.78Å; N386-I390 WeakPolarHBondContact O-CG1 3.24Å; N386-I390 PolarHBondContact O-N 3.48Å; N386-I390 VanDerWaalsContact O-N 3.11Å |
| 387 | L | 92.2 | Very high | 90.8 | Very high | 14 Ų | 14 | 12.1 Ų | 12.1 | 7% | 0.073 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 171.1 | -70.7 | 167.7 | 0 | 0 | 0 | 111.7 | L309 F313 V383 G384 S389 I390 L391 | L309-L387 HydrophobicContact CB-CD2 3.78Å; L309-L387 HydrophobicContact CD1-CD2 4.29Å; L309-L387 HydrophobicContact CD2-CD2 3.6Å; L309-L387 HydrophobicContact CG-CD2 4.06Å; F313-L387 HydrophobicContact CD2-CD2 3.76Å; F313-L387 HydrophobicContact CD2-CG 4.13Å; F313-L387 HydrophobicContact CE2-CD2 3.49Å; F313-L387 VanDerWaalsContact CE2-CD2 3.49Å; F313-L387 HydrophobicContact CE2-CG 3.83Å; V383-L387 HydrophobicContact CG1-CD1 3.85Å; V383-L387 HydrophobicContact CG1-CG 4.31Å; V383-L387 VanDerWaalsContact O-CG 3.28Å; V383-L387 WeakPolarHBondContact O-CG 3.25Å; V383-L387 PolarHBondContact O-N 3.43Å; G384-L387 WeakPolarHBondContact O-CA 3.46Å; G384-L387 WeakPolarHBondContact O-CB 3.48Å; G384-L387 PolarHBondContact O-N 2.84Å; L387-S389 VanDerWaalsContact C-N 3.29Å; L387-S389 PolarHBondContact O-N 2.94Å; L387-I390 PolarHBondContact O-N 2.98Å; L387-L391 WeakPolarHBondContact O-CB 3.35Å; L387-L391 WeakPolarHBondContact O-CG 3.35Å; L387-L391 PolarHBondContact O-N 3.23Å |
| 388 | K | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -52 | -51 | 174.5 | -171.9 | 172.9 | -167.6 | 148 | 0 | 110.7 | G384 M385 L391 M392 I423 E424 L427 | G384-K388 PolarHBondContact O-N 3.36Å; M385-K388 WeakPolarHBondContact O-CB 3.04Å; M385-K388 PolarHBondContact O-N 3.33Å; K388-L391 PolarHBondContact O-N 2.98Å; K388-M392 HydrophobicContact CD-CE 4.28Å; K388-M392 HydrophobicContact CG-CE 3.99Å; K388-M392 HydrophobicContact CG-CG 4.43Å; K388-M392 HydrophobicContact CG-SD 3.94Å; K388-M392 WeakPolarHBondContact O-CB 3.39Å; K388-M392 VanDerWaalsContact O-CG 3.28Å; K388-M392 WeakPolarHBondContact O-CG 3.41Å; K388-M392 PolarHBondContact O-N 3.03Å; K388-I423 HydrophobicContact CB-CG2 4.35Å; K388-I423 HydrophobicContact CG-CG2 3.87Å; K388-E424 IonicContact NZ-OE1 3.18Å; K388-E424 IonicContact NZ-OE2 3.57Å; K388-E424 PolarHBondContact NZ-OE2 3.48Å; K388-L427 HydrophobicContact CB-CD1 3.72Å; K388-L427 HydrophobicContact CB-CD2 3.73Å; K388-L427 HydrophobicContact CB-CG 4.29Å; K388-L427 HydrophobicContact CD-CD1 3.5Å; K388-L427 VanDerWaalsContact CD-CD1 3.5Å; K388-L427 HydrophobicContact CG-CD1 3.68Å |
| 389 | S | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | -177 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | M385 N386 L387 S393 Q1173 | M385-S389 PolarHBondContact O-N 3.13Å; M385-S389 PolarHBondContact O-OG 3.2Å; N386-S389 PolarHBondContact O-N 2.78Å; L387-S389 VanDerWaalsContact C-N 3.29Å; L387-S389 PolarHBondContact O-N 2.94Å; S389-S393 WeakPolarHBondContact O-CB 3.46Å; S389-S393 PolarHBondContact O-N 3.13Å; S389-S393 VanDerWaalsContact O-N 3.12Å; S389-Q1173 VanDerWaalsContact OG-CG 3.32Å; S389-Q1173 WeakPolarHBondContact OG-CG 3.49Å; S389-Q1173 PolarHBondContact OG-NE2 3.49Å |
| 390 | I | 93.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 8.7 Ų | 8.7 | 2% | 0.021 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.1 | -50.2 | 176.5 | -70.2 | 168.5 | 0 | 0 | 0 | 110.6 | L254 W258 L309 F313 N386 L387 S393 A394 | L254-I390 HydrophobicContact CB-CD1 4.23Å; L254-I390 HydrophobicContact CB-CG1 3.84Å; L254-I390 HydrophobicContact CD2-CD1 4.44Å; W258-I390 HydrophobicContact CB-CD1 4.5Å; W258-I390 HydrophobicContact CB-CG1 4.43Å; W258-I390 HydrophobicContact CB-CG2 3.68Å; W258-I390 HydrophobicContact CD2-CG2 3.5Å; W258-I390 VanDerWaalsContact CD2-CG2 3.5Å; W258-I390 HydrophobicContact CE3-CG2 3.82Å; W258-I390 HydrophobicContact CG-CG2 3.41Å; W258-I390 VanDerWaalsContact CG-CG2 3.41Å; L309-I390 HydrophobicContact CD2-CG2 4.41Å; F313-I390 HydrophobicContact CE2-CD1 3.84Å; F313-I390 HydrophobicContact CZ-CD1 3.76Å; N386-I390 WeakPolarHBondContact O-CG1 3.24Å; N386-I390 PolarHBondContact O-N 3.48Å; N386-I390 VanDerWaalsContact O-N 3.11Å; L387-I390 PolarHBondContact O-N 2.98Å; I390-S393 PolarHBondContact O-N 3.26Å; I390-A394 WeakPolarHBondContact O-CB 3.41Å; I390-A394 PolarHBondContact O-N 3.21Å |
| 391 | L | 93.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.1 | -42.3 | -176.5 | -68.4 | 175.7 | 0 | 0 | 0 | 111.8 | L305 L309 L387 K388 A394 I395 I423 I426 L621 | L305-L391 HydrophobicContact CD1-CD2 4.25Å; L309-L391 HydrophobicContact CD1-CD2 4.32Å; L309-L391 HydrophobicContact CD2-CD2 4.32Å; L387-L391 WeakPolarHBondContact O-CB 3.35Å; L387-L391 WeakPolarHBondContact O-CG 3.35Å; L387-L391 PolarHBondContact O-N 3.23Å; K388-L391 PolarHBondContact O-N 2.98Å; L391-A394 PolarHBondContact O-N 2.83Å; L391-I395 VanDerWaalsContact O-CG1 3.29Å; L391-I395 WeakPolarHBondContact O-CG1 3.31Å; L391-I395 PolarHBondContact O-N 3.22Å; L391-I423 HydrophobicContact CB-CD1 3.77Å; L391-I423 HydrophobicContact CB-CG1 3.97Å; L391-I423 HydrophobicContact CD1-CG1 4.46Å; L391-I426 HydrophobicContact CD1-CD1 4.08Å; L391-I426 HydrophobicContact CD1-CG2 4.37Å; L391-L621 HydrophobicContact CD1-CD1 4.38Å; L391-L621 HydrophobicContact CD2-CD1 4.46Å |
| 392 | M | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -60.7 | -48.8 | 176.1 | -72.7 | -176.7 | 161.8 | 0 | 0 | 111.4 | K388 A394 I395 F396 L419 I423 F1165 I1169 | K388-M392 HydrophobicContact CD-CE 4.28Å; K388-M392 HydrophobicContact CG-CE 3.99Å; K388-M392 HydrophobicContact CG-CG 4.43Å; K388-M392 HydrophobicContact CG-SD 3.94Å; K388-M392 WeakPolarHBondContact O-CB 3.39Å; K388-M392 VanDerWaalsContact O-CG 3.28Å; K388-M392 WeakPolarHBondContact O-CG 3.41Å; K388-M392 PolarHBondContact O-N 3.03Å; M392-A394 VanDerWaalsContact C-N 3.34Å; M392-A394 PolarHBondContact O-N 3.37Å; M392-I395 PolarHBondContact O-N 2.84Å; M392-F396 PolarHBondContact O-N 3.25Å; M392-F396 VanDerWaalsContact O-N 3.11Å; M392-L419 HydrophobicContact CB-CD1 3.9Å; M392-L419 HydrophobicContact CG-CD1 3.69Å; M392-I423 HydrophobicContact CB-CD1 4.29Å; M392-I423 HydrophobicContact CG-CD1 3.51Å; M392-F1165 HydrophobicContact CB-CE1 4.43Å; M392-F1165 WeakPolarHBondContact O-CE1 3.38Å; M392-I1169 HydrophobicContact CB-CD1 3.69Å; M392-I1169 HydrophobicContact CB-CG1 4.36Å; M392-I1169 HydrophobicContact SD-CG1 4.42Å |
| 393 | S | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.007 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.7 | -37.9 | 178.7 | -166.3 | 0 | 0 | 0 | 0 | 111.8 | R255 S389 I390 F396 E397 D1166 | R255-S393 WeakPolarHBondContact CD-OG 3.37Å; S389-S393 WeakPolarHBondContact O-CB 3.46Å; S389-S393 PolarHBondContact O-N 3.13Å; S389-S393 VanDerWaalsContact O-N 3.12Å; I390-S393 PolarHBondContact O-N 3.26Å; S393-F396 PolarHBondContact O-N 3.38Å; S393-E397 WeakPolarHBondContact O-CB 3.03Å; S393-E397 PolarHBondContact O-N 2.9Å; S393-D1166 PolarHBondContact OG-OD1 3.47Å |
| 394 | A | 92.2 | Very high | 90.9 | Very high | 8 Ų | 8 | 8.7 Ų | 8.7 | 7% | 0.066 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.7 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | I390 L391 M392 F396 E397 K398 L625 | I390-A394 WeakPolarHBondContact O-CB 3.41Å; I390-A394 PolarHBondContact O-N 3.21Å; L391-A394 PolarHBondContact O-N 2.83Å; M392-A394 VanDerWaalsContact C-N 3.34Å; M392-A394 PolarHBondContact O-N 3.37Å; A394-F396 VanDerWaalsContact C-N 3.35Å; A394-E397 PolarHBondContact O-N 2.87Å; A394-K398 WeakPolarHBondContact O-CB 3.35Å; A394-K398 PolarHBondContact O-N 3.41Å; A394-L625 HydrophobicContact CB-CD2 4.47Å |
| 395 | I | 93.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 175.3 | -68.5 | 173 | 0 | 0 | 0 | 110.1 | L391 M392 K398 A399 M418 L419 I423 L621 F624 F1142 | L391-I395 VanDerWaalsContact O-CG1 3.29Å; L391-I395 WeakPolarHBondContact O-CG1 3.31Å; L391-I395 PolarHBondContact O-N 3.22Å; M392-I395 PolarHBondContact O-N 2.84Å; I395-K398 PolarHBondContact O-N 3.36Å; I395-A399 WeakPolarHBondContact O-CB 3.44Å; I395-A399 PolarHBondContact O-N 2.82Å; I395-M418 HydrophobicContact CD1-CB 4.29Å; I395-L419 HydrophobicContact CB-CD1 4.48Å; I395-L419 HydrophobicContact CD1-CD1 4.39Å; I395-I423 HydrophobicContact CD1-CD1 3.72Å; I395-I423 HydrophobicContact CD1-CG1 4.17Å; I395-L621 HydrophobicContact CD1-CD2 3.41Å; I395-L621 VanDerWaalsContact CD1-CD2 3.41Å; I395-L621 HydrophobicContact CG1-CD2 3.95Å; I395-F624 HydrophobicContact CB-CE1 4.33Å; I395-F624 HydrophobicContact CG1-CE1 4.42Å; I395-F624 HydrophobicContact CG2-CE1 3.86Å; I395-F624 HydrophobicContact CG2-CZ 4.29Å; I395-F1142 HydrophobicContact CG2-CE2 3.95Å; I395-F1142 HydrophobicContact CG2-CZ 4Å |
| 396 | F | 93.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 10.9 Ų | 10.9 | 0% | 0.004 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.2 | -45.9 | 178.2 | -173.8 | -103.3 | 0 | 0 | 0 | 112.4 | M392 S393 A394 K398 A399 L400 F1142 V1145 F1161 R1162 F1165 | M392-F396 PolarHBondContact O-N 3.25Å; M392-F396 VanDerWaalsContact O-N 3.11Å; S393-F396 PolarHBondContact O-N 3.38Å; A394-F396 VanDerWaalsContact C-N 3.35Å; F396-K398 VanDerWaalsContact C-N 3.35Å; F396-K398 PolarHBondContact O-N 2.77Å; F396-A399 PolarHBondContact O-N 3.29Å; F396-L400 HydrophobicContact CD1-CD1 3.99Å; F396-L400 HydrophobicContact CE1-CD1 3.59Å; F396-L400 HydrophobicContact CE1-CG 4.36Å; F396-L400 HydrophobicContact CZ-CD1 4.17Å; F396-L400 WeakPolarHBondContact O-CG 3.24Å; F396-L400 PolarHBondContact O-N 2.94Å; F396-F1142 AromaticContact CD2-CD2 3.74Å; F396-F1142 HydrophobicContact CD2-CD2 3.74Å; F396-F1142 HydrophobicContact CD2-CE2 4.2Å; F396-V1145 HydrophobicContact CE2-CB 4.16Å; F396-V1145 HydrophobicContact CE2-CG1 4.01Å; F396-V1145 HydrophobicContact CE2-CG2 4.25Å; F396-V1145 HydrophobicContact CZ-CG1 4.14Å; F396-V1145 HydrophobicContact CZ-CG2 4.27Å; F396-F1161 HydrophobicContact CE1-CB 4.44Å; F396-F1161 HydrophobicContact CZ-CB 4.08Å; F396-R1162 HydrophobicContact CE1-CB 4.37Å; F396-F1165 HydrophobicContact CB-CD1 3.63Å; F396-F1165 HydrophobicContact CB-CE1 3.41Å; F396-F1165 VanDerWaalsContact CB-CE1 3.41Å; F396-F1165 HydrophobicContact CB-CG 4.31Å; F396-F1165 HydrophobicContact CB-CZ 3.95Å; F396-F1165 HydrophobicContact CD1-CB 3.91Å; F396-F1165 AromaticContact CD1-CD1 3.8Å; F396-F1165 HydrophobicContact CD1-CD1 3.8Å; F396-F1165 HydrophobicContact CD1-CE1 4.44Å; F396-F1165 AromaticContact CD1-CG 3.84Å; F396-F1165 HydrophobicContact CD1-CG 3.84Å; F396-F1165 HydrophobicContact CD2-CD1 4.06Å; F396-F1165 AromaticContact CD2-CD2 3.76Å; F396-F1165 HydrophobicContact CD2-CD2 3.76Å; F396-F1165 HydrophobicContact CD2-CE1 4.13Å; F396-F1165 AromaticContact CD2-CE2 3.85Å; F396-F1165 HydrophobicContact CD2-CE2 3.85Å; F396-F1165 AromaticContact CD2-CG 3.88Å; F396-F1165 HydrophobicContact CD2-CG 3.88Å; F396-F1165 HydrophobicContact CD2-CZ 4.04Å; F396-F1165 HydrophobicContact CE1-CB 3.78Å; F396-F1165 HydrophobicContact CE1-CD1 4.49Å; F396-F1165 HydrophobicContact CE1-CG 4.09Å; F396-F1165 HydrophobicContact CE2-CB 4.4Å; F396-F1165 AromaticContact CE2-CD2 3.84Å; F396-F1165 HydrophobicContact CE2-CD2 3.84Å; F396-F1165 HydrophobicContact CE2-CE2 4.27Å; F396-F1165 HydrophobicContact CE2-CG 4.09Å; F396-F1165 HydrophobicContact CG-CB 4.3Å; F396-F1165 AromaticContact CG-CD1 3.54Å; F396-F1165 HydrophobicContact CG-CD1 3.54Å; F396-F1165 HydrophobicContact CG-CD2 4.09Å; F396-F1165 AromaticContact CG-CE1 3.75Å; F396-F1165 HydrophobicContact CG-CE1 3.75Å; F396-F1165 HydrophobicContact CG-CE2 4.29Å; F396-F1165 AromaticContact CG-CG 3.72Å; F396-F1165 HydrophobicContact CG-CG 3.72Å; F396-F1165 HydrophobicContact CG-CZ 4.14Å; F396-F1165 HydrophobicContact CZ-CB 4.01Å; F396-F1165 HydrophobicContact CZ-CD2 4.29Å; F396-F1165 HydrophobicContact CZ-CG 4.18Å |
| 397 | E | 91.6 | Very high | 89.2 | Confident | 15 Ų | 15 | 14.5 Ų | 14.5 | 7% | 0.07 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.6 | -176.8 | 172.3 | 175.1 | 0 | 0 | 112.3 | S393 A394 R401 R1162 | S393-E397 WeakPolarHBondContact O-CB 3.03Å; S393-E397 PolarHBondContact O-N 2.9Å; A394-E397 PolarHBondContact O-N 2.87Å; E397-R401 IonicContact OE1-CZ 3.91Å; E397-R401 IonicContact OE1-NH1 3.51Å; E397-R401 PolarHBondContact OE1-NH1 3.23Å; E397-R401 IonicContact OE1-NH2 3.22Å; E397-R401 PolarHBondContact OE1-NH2 3.46Å; E397-R1162 VanDerWaalsContact CD-NH2 3.27Å; E397-R1162 IonicContact OE1-CZ 2.81Å; E397-R1162 IonicContact OE1-NH2 2.77Å; E397-R1162 PolarHBondContact OE1-NH2 2.68Å; E397-R1162 IonicContact OE2-CZ 2.75Å; E397-R1162 IonicContact OE2-NE 3.06Å; E397-R1162 IonicContact OE2-NH2 2.74Å; E397-R1162 PolarHBondContact OE2-NH2 3.03Å |
| 398 | K | 91.1 | Very high | 88.4 | Confident | 13 Ų | 13 | 21 Ų | 21 | 6% | 0.057 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65 | -46.1 | 175.6 | -175.3 | 70.5 | -175.2 | -168 | 0 | 111.1 | A394 I395 F396 L400 R401 L402 F624 L625 L627 E629 | A394-K398 WeakPolarHBondContact O-CB 3.35Å; A394-K398 PolarHBondContact O-N 3.41Å; I395-K398 PolarHBondContact O-N 3.36Å; F396-K398 VanDerWaalsContact C-N 3.35Å; F396-K398 PolarHBondContact O-N 2.77Å; K398-L400 PolarHBondContact O-N 3.26Å; K398-R401 CarbonylContact O-C 3.48Å; K398-R401 PolarHBondContact O-N 3.03Å; K398-L402 HydrophobicContact CG-CD2 4.33Å; K398-L402 WeakPolarHBondContact O-CG 3.42Å; K398-L402 PolarHBondContact O-N 2.9Å; K398-L402 VanDerWaalsContact O-N 3.13Å; K398-F624 HydrophobicContact CB-CE1 3.82Å; K398-F624 HydrophobicContact CB-CZ 4.38Å; K398-F624 WeakPolarHBondContact CE-O 3.47Å; K398-F624 HydrophobicContact CG-CD1 4.2Å; K398-F624 HydrophobicContact CG-CE1 3.75Å; K398-F624 HydrophobicContact CG-CZ 4.16Å; K398-L625 HydrophobicContact CB-CD2 3.97Å; K398-L625 VanDerWaalsContact CE-O 3.27Å; K398-L625 WeakPolarHBondContact CE-O 3.38Å; K398-L625 HydrophobicContact CG-CD2 4.23Å; K398-L625 PolarHBondContact NZ-O 2.89Å; K398-L627 VanDerWaalsContact CE-O 3.32Å; K398-L627 WeakPolarHBondContact CE-O 3.36Å; K398-L627 PolarHBondContact NZ-O 3.02Å; K398-E629 HydrophobicContact CD-CG 4.43Å; K398-E629 WeakPolarHBondContact CD-OE1 3.35Å; K398-E629 IonicContact NZ-OE1 3.23Å; K398-E629 PolarHBondContact NZ-OE1 3.38Å |
| 399 | A | 91.8 | Very high | 87.6 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.033 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -54.6 | -42.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I395 F396 R401 L402 M415 F624 F1142 V1146 I1149 | I395-A399 WeakPolarHBondContact O-CB 3.44Å; I395-A399 PolarHBondContact O-N 2.82Å; F396-A399 PolarHBondContact O-N 3.29Å; A399-R401 PolarHBondContact O-N 3.41Å; A399-L402 PolarHBondContact O-N 3.45Å; A399-M415 HydrophobicContact CB-SD 4.22Å; A399-F624 HydrophobicContact CB-CZ 4.46Å; A399-F1142 HydrophobicContact CB-CE2 4.31Å; A399-F1142 HydrophobicContact CB-CZ 4.37Å; A399-V1146 HydrophobicContact CB-CG2 4.41Å; A399-I1149 WeakPolarHBondContact O-CD1 3.36Å |
| 400 | L | 90.6 | Very high | 86.9 | Confident | 11 Ų | 11 | 27.7 Ų | 27.7 | 6% | 0.058 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -21.7 | 176.1 | -71.7 | 172.9 | 0 | 0 | 0 | 114.5 | F396 K398 V1145 V1152 Q1158 | F396-L400 HydrophobicContact CD1-CD1 3.99Å; F396-L400 HydrophobicContact CE1-CD1 3.59Å; F396-L400 HydrophobicContact CE1-CG 4.36Å; F396-L400 HydrophobicContact CZ-CD1 4.17Å; F396-L400 WeakPolarHBondContact O-CG 3.24Å; F396-L400 PolarHBondContact O-N 2.94Å; K398-L400 PolarHBondContact O-N 3.26Å; L400-V1145 HydrophobicContact CD2-CG1 3.58Å; L400-V1152 HydrophobicContact CD2-CG1 4.23Å; L400-Q1158 HydrophobicContact CD1-CB 4.27Å; L400-Q1158 HydrophobicContact CD2-CG 4.45Å |
| 401 | R | 89 | Confident | 86.2 | Confident | 87 Ų | 87 | 31.1 Ų | 31.1 | 33% | 0.328 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -108.8 | -3.2 | -176.5 | -66.5 | -170.2 | -176.5 | 128.3 | 12.2 | 114.6 | E397 K398 A399 E629 L630 | E397-R401 IonicContact OE1-CZ 3.91Å; E397-R401 IonicContact OE1-NH1 3.51Å; E397-R401 PolarHBondContact OE1-NH1 3.23Å; E397-R401 IonicContact OE1-NH2 3.22Å; E397-R401 PolarHBondContact OE1-NH2 3.46Å; K398-R401 CarbonylContact O-C 3.48Å; K398-R401 PolarHBondContact O-N 3.03Å; A399-R401 PolarHBondContact O-N 3.41Å; R401-E629 HydrophobicContact CB-CB 4.38Å; R401-E629 HydrophobicContact CB-CG 4.21Å; R401-E629 CarbonylContact O-C 3.25Å; R401-E629 WeakPolarHBondContact O-CA 3.4Å; R401-E629 WeakPolarHBondContact O-CB 3.39Å; R401-L630 PolarHBondContact O-N 2.99Å |
| 402 | L | 86.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -61.7 | 141.4 | -177.6 | -75.3 | 168.3 | 0 | 0 | 0 | 112.6 | K398 A399 M415 F624 L627 R1153 | K398-L402 HydrophobicContact CG-CD2 4.33Å; K398-L402 WeakPolarHBondContact O-CG 3.42Å; K398-L402 PolarHBondContact O-N 2.9Å; K398-L402 VanDerWaalsContact O-N 3.13Å; A399-L402 PolarHBondContact O-N 3.45Å; L402-M415 HydrophobicContact CD1-SD 3.98Å; L402-F624 HydrophobicContact CD1-CE2 3.6Å; L402-F624 HydrophobicContact CD1-CZ 3.88Å; L402-L627 HydrophobicContact CD2-CB 3.74Å; L402-L627 HydrophobicContact CD2-CD1 4.08Å; L402-R1153 PolarHBondContact O-NH1 3.04Å |
| 403 | S | 84.5 | Confident | 84.5 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | trans | -67 | 157.4 | 168.4 | 76.6 | 0 | 0 | 0 | 0 | 111.5 | E405 S406 R407 E628 Y699 | S403-E405 VanDerWaalsContact C-N 3.27Å; S403-E405 PolarHBondContact O-N 2.89Å; S403-S406 PolarHBondContact O-N 3.49Å; S403-S406 WeakPolarHBondContact OG-CB 3.38Å; S403-S406 PolarHBondContact OG-N 3.35Å; S403-S406 PolarHBondContact OG-OG 3.31Å; S403-S406 VanDerWaalsContact OG-OG 3.1Å; S403-R407 WeakPolarHBondContact O-CB 3.47Å; S403-R407 PolarHBondContact O-N 2.94Å; S403-E628 PolarHBondContact N-O 3.46Å; S403-E628 VanDerWaalsContact N-O 3.16Å; S403-Y699 VanDerWaalsContact CB-OH 3.31Å; S403-Y699 WeakPolarHBondContact CB-OH 3.48Å; S403-Y699 PolarHBondContact OG-OH 2.98Å | ||
| 404 | S | 79.1 | Confident | 84 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60 | -35.7 | 178.4 | -71.2 | 0 | 0 | 0 | 0 | 113 | R408 E697 | S404-R408 PolarHBondContact O-N 3.45Å; S404-E697 WeakPolarHBondContact CB-O 3.39Å; S404-E697 PolarHBondContact OG-O 3Å; S404-E697 PolarHBondContact OG-OE2 3.06Å |
| 405 | E | 77.4 | Confident | 83.8 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.3 | -49.9 | 176.3 | -178 | 173 | 175.7 | 0 | 0 | 111.6 | S403 R407 R408 Q409 E655 A656 Y699 | S403-E405 VanDerWaalsContact C-N 3.27Å; S403-E405 PolarHBondContact O-N 2.89Å; E405-R407 PolarHBondContact O-N 2.99Å; E405-R408 WeakPolarHBondContact O-CB 3.38Å; E405-R408 PolarHBondContact O-N 2.87Å; E405-Q409 PolarHBondContact O-N 3.12Å; E405-Q409 VanDerWaalsContact O-N 3.15Å; E405-E655 WeakPolarHBondContact OE2-CA 3.42Å; E405-A656 PolarHBondContact OE2-N 3.02Å; E405-Y699 HydrophobicContact CB-CE2 3.85Å |
| 406 | S | 80.9 | Confident | 83.5 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -33.9 | 177.3 | -64.4 | 0 | 0 | 0 | 0 | 112.4 | S403 Q409 T410 E628 | S403-S406 PolarHBondContact O-N 3.49Å; S403-S406 WeakPolarHBondContact OG-CB 3.38Å; S403-S406 PolarHBondContact OG-N 3.35Å; S403-S406 PolarHBondContact OG-OG 3.31Å; S403-S406 VanDerWaalsContact OG-OG 3.1Å; S406-Q409 PolarHBondContact O-N 2.52Å; S406-T410 PolarHBondContact O-N 2.79Å; S406-T410 VanDerWaalsContact O-N 3.08Å; S406-T410 PolarHBondContact O-OG1 3.36Å; S406-E628 PolarHBondContact OG-N 3Å; S406-E628 PolarHBondContact OG-O 3.29Å |
| 407 | R | 78.9 | Confident | 83.2 | Confident | 87 Ų | 87 | 43.7 Ų | 43.7 | 33% | 0.328 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.5 | -28.9 | 175 | -170.9 | -179.4 | 68.3 | 118.4 | 0.4 | 113.1 | S403 E405 T410 M415 | S403-R407 WeakPolarHBondContact O-CB 3.47Å; S403-R407 PolarHBondContact O-N 2.94Å; E405-R407 PolarHBondContact O-N 2.99Å; R407-T410 CarbonylContact O-C 3.59Å; R407-M415 HydrophobicContact CG-CE 4.38Å |
| 408 | R | 74.6 | Confident | 83.1 | Confident | 150 Ų | 150 | 43.9 Ų | 43.9 | 57% | 0.566 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -72 | -34.5 | 171.7 | -74 | 179.8 | -177.6 | -179.4 | 3.1 | 111.4 | S404 E405 T410 | S404-R408 PolarHBondContact O-N 3.45Å; E405-R408 WeakPolarHBondContact O-CB 3.38Å; E405-R408 PolarHBondContact O-N 2.87Å; R408-T410 VanDerWaalsContact C-N 3.34Å |
| 409 | Q | 75.7 | Confident | 83 | Confident | 120 Ų | 120 | 43.3 Ų | 43.3 | 56% | 0.561 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -70.6 | -29.2 | 175.9 | -64.3 | 179.4 | 8.5 | 0 | 0 | 113.1 | E405 S406 | E405-Q409 PolarHBondContact O-N 3.12Å; E405-Q409 VanDerWaalsContact O-N 3.15Å; S406-Q409 PolarHBondContact O-N 2.52Å |
| 410 | T | 78.9 | Confident | 82.9 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 13% | 0.129 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -119 | 103.9 | 179.3 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | S406 R407 R408 E414 M415 F624 L627 | S406-T410 PolarHBondContact O-N 2.79Å; S406-T410 VanDerWaalsContact O-N 3.08Å; S406-T410 PolarHBondContact O-OG1 3.36Å; R407-T410 CarbonylContact O-C 3.59Å; R408-T410 VanDerWaalsContact C-N 3.34Å; T410-E414 WeakPolarHBondContact CA-OE2 3.46Å; T410-M415 WeakPolarHBondContact O-CE 3.27Å; T410-F624 HydrophobicContact CG2-CD2 4.37Å; T410-L627 HydrophobicContact CG2-CD1 3.68Å |
| 411 | T | 79.2 | Confident | 82.8 | Confident | 75 Ų | 75 | 46.7 Ų | 46.7 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | trans | -68.4 | 157.8 | -175 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | G413 E414 M415 | T411-G413 PolarHBondContact O-N 2.72Å; T411-E414 PolarHBondContact N-OE2 3.21Å; T411-E414 PolarHBondContact O-N 2.89Å; T411-E414 VanDerWaalsContact O-N 3.09Å; T411-E414 WeakPolarHBondContact OG1-CG 3.45Å; T411-E414 PolarHBondContact OG1-N 2.92Å; T411-E414 PolarHBondContact OG1-OE2 3.08Å; T411-M415 PolarHBondContact O-N 3.48Å | ||
| 412 | A | 76.4 | Confident | 82.8 | Confident | 40 Ų | 40 | 42.6 Ų | 42.6 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -56.9 | -32.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | T416 V1146 | A412-T416 WeakPolarHBondContact O-CB 3.19Å; A412-T416 PolarHBondContact O-N 3.15Å; A412-T416 PolarHBondContact O-OG1 3.45Å; A412-V1146 HydrophobicContact CB-CG1 3.64Å |
| 413 | G | 76.6 | Confident | 83.1 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 52% | 0.515 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.3 | -46.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T411 T416 N417 | T411-G413 PolarHBondContact O-N 2.72Å; G413-T416 PolarHBondContact O-N 3.03Å; G413-N417 WeakPolarHBondContact O-CB 3.45Å; G413-N417 PolarHBondContact O-N 3.42Å |
| 414 | E | 82.8 | Confident | 83.3 | Confident | 100 Ų | 100 | 45.1 Ų | 45.1 | 47% | 0.467 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.5 | -73.2 | 173.2 | 145.7 | 0 | 0 | 112.4 | T410 T411 T416 N417 M418 | T410-E414 WeakPolarHBondContact CA-OE2 3.46Å; T411-E414 PolarHBondContact N-OE2 3.21Å; T411-E414 PolarHBondContact O-N 2.89Å; T411-E414 VanDerWaalsContact O-N 3.09Å; T411-E414 WeakPolarHBondContact OG1-CG 3.45Å; T411-E414 PolarHBondContact OG1-N 2.92Å; T411-E414 PolarHBondContact OG1-OE2 3.08Å; E414-T416 VanDerWaalsContact C-N 3.33Å; E414-T416 PolarHBondContact O-N 3.01Å; E414-N417 WeakPolarHBondContact O-CB 3.24Å; E414-N417 PolarHBondContact O-N 3.05Å; E414-M418 WeakPolarHBondContact O-CG 3.42Å; E414-M418 PolarHBondContact O-N 2.84Å |
| 415 | M | 87.6 | Confident | 83.7 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 175 | -74.2 | -168.4 | -92.9 | 0 | 0 | 112.1 | A399 L402 R407 T410 T411 M418 L419 F624 F1142 V1146 | A399-M415 HydrophobicContact CB-SD 4.22Å; L402-M415 HydrophobicContact CD1-SD 3.98Å; R407-M415 HydrophobicContact CG-CE 4.38Å; T410-M415 WeakPolarHBondContact O-CE 3.27Å; T411-M415 PolarHBondContact O-N 3.48Å; M415-M418 WeakPolarHBondContact O-CB 3.05Å; M415-M418 PolarHBondContact O-N 3.09Å; M415-L419 PolarHBondContact O-N 3.44Å; M415-F624 HydrophobicContact CG-CE2 3.67Å; M415-F624 HydrophobicContact CG-CZ 4.16Å; M415-F624 HydrophobicContact SD-CE2 3.78Å; M415-F624 HydrophobicContact SD-CZ 4.01Å; M415-F1142 HydrophobicContact CB-CE1 3.83Å; M415-F1142 HydrophobicContact CB-CZ 3.93Å; M415-V1146 HydrophobicContact CE-CG1 3.59Å; M415-V1146 HydrophobicContact SD-CG1 4.48Å |
| 416 | T | 86.1 | Confident | 84.3 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 10% | 0.104 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 175 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | A412 G413 E414 M418 L419 S420 Q1143 | A412-T416 WeakPolarHBondContact O-CB 3.19Å; A412-T416 PolarHBondContact O-N 3.15Å; A412-T416 PolarHBondContact O-OG1 3.45Å; G413-T416 PolarHBondContact O-N 3.03Å; E414-T416 VanDerWaalsContact C-N 3.33Å; E414-T416 PolarHBondContact O-N 3.01Å; T416-M418 VanDerWaalsContact C-N 3.31Å; T416-M418 PolarHBondContact O-N 3.46Å; T416-L419 WeakPolarHBondContact O-CB 3.41Å; T416-L419 PolarHBondContact O-N 3.37Å; T416-L419 VanDerWaalsContact O-N 3.1Å; T416-S420 PolarHBondContact O-N 3.48Å; T416-S420 PolarHBondContact O-OG 2.87Å; T416-S420 VanDerWaalsContact O-OG 3.08Å; T416-Q1143 HydrophobicContact CG2-CG 4.26Å |
| 417 | N | 87.5 | Confident | 84.7 | Confident | 68 Ų | 68 | 47.9 Ų | 47.9 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.5 | -37.2 | 178 | -170.5 | 32.1 | 0 | 0 | 0 | 112.2 | G413 E414 L419 S420 V421 D422 | G413-N417 WeakPolarHBondContact O-CB 3.45Å; G413-N417 PolarHBondContact O-N 3.42Å; E414-N417 WeakPolarHBondContact O-CB 3.24Å; E414-N417 PolarHBondContact O-N 3.05Å; N417-L419 VanDerWaalsContact C-N 3.32Å; N417-L419 PolarHBondContact O-N 3.25Å; N417-S420 PolarHBondContact O-N 3.04Å; N417-V421 WeakPolarHBondContact O-CB 3.18Å; N417-V421 PolarHBondContact O-N 2.84Å; N417-V421 WeakPolarHBondContact OD1-CB 3.21Å; N417-V421 WeakPolarHBondContact OD1-CG2 3.38Å; N417-D422 PolarHBondContact O-N 3.49Å |
| 418 | M | 89.9 | Confident | 84.9 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -59.6 | -44.2 | 172.3 | -75.2 | 179.3 | 150.6 | 0 | 0 | 111.8 | I395 E414 M415 T416 D422 I423 R620 L621 F624 | I395-M418 HydrophobicContact CD1-CB 4.29Å; E414-M418 WeakPolarHBondContact O-CG 3.42Å; E414-M418 PolarHBondContact O-N 2.84Å; M415-M418 WeakPolarHBondContact O-CB 3.05Å; M415-M418 PolarHBondContact O-N 3.09Å; T416-M418 VanDerWaalsContact C-N 3.31Å; T416-M418 PolarHBondContact O-N 3.46Å; M418-D422 PolarHBondContact O-N 3.16Å; M418-I423 PolarHBondContact O-N 3.16Å; M418-R620 HydrophobicContact CE-CB 3.65Å; M418-R620 WeakPolarHBondContact CE-O 3.42Å; M418-L621 HydrophobicContact CB-CD2 4.12Å; M418-L621 HydrophobicContact CG-CD2 4.37Å; M418-L621 HydrophobicContact SD-CD2 4.37Å; M418-F624 HydrophobicContact CE-CB 3.75Å; M418-F624 HydrophobicContact CE-CG 4.39Å; M418-F624 HydrophobicContact SD-CB 3.87Å; M418-F624 HydrophobicContact SD-CD1 4.38Å; M418-F624 HydrophobicContact SD-CD2 4.08Å; M418-F624 HydrophobicContact SD-CG 3.86Å |
| 419 | L | 89.9 | Confident | 85.5 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -70.4 | -37.7 | -179.7 | -168.9 | 73.7 | 0 | 0 | 0 | 112.7 | M392 I395 M415 T416 N417 I423 Y1139 F1142 F1165 | M392-L419 HydrophobicContact CB-CD1 3.9Å; M392-L419 HydrophobicContact CG-CD1 3.69Å; I395-L419 HydrophobicContact CB-CD1 4.48Å; I395-L419 HydrophobicContact CD1-CD1 4.39Å; M415-L419 PolarHBondContact O-N 3.44Å; T416-L419 WeakPolarHBondContact O-CB 3.41Å; T416-L419 PolarHBondContact O-N 3.37Å; T416-L419 VanDerWaalsContact O-N 3.1Å; N417-L419 VanDerWaalsContact C-N 3.32Å; N417-L419 PolarHBondContact O-N 3.25Å; L419-I423 HydrophobicContact CD1-CD1 4.04Å; L419-Y1139 HydrophobicContact CD2-CD1 3.77Å; L419-Y1139 HydrophobicContact CD2-CE1 4.08Å; L419-Y1139 HydrophobicContact CG-CD1 4.23Å; L419-Y1139 HydrophobicContact CG-CE1 4.03Å; L419-F1142 HydrophobicContact CD2-CB 3.85Å; L419-F1142 HydrophobicContact CD2-CD1 4.07Å; L419-F1142 HydrophobicContact CD2-CD2 3.69Å; L419-F1142 HydrophobicContact CD2-CE2 4.3Å; L419-F1142 HydrophobicContact CD2-CG 3.59Å; L419-F1165 HydrophobicContact CD1-CZ 4.42Å; L419-F1165 HydrophobicContact CD2-CZ 4.25Å |
| 420 | S | 88 | Confident | 86 | Confident | 38 Ų | 38 | 35.9 Ų | 35.9 | 27% | 0.266 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -92.7 | -36 | -173.5 | 64.6 | 0 | 0 | 0 | 0 | 114.8 | T416 N417 | T416-S420 PolarHBondContact O-N 3.48Å; T416-S420 PolarHBondContact O-OG 2.87Å; T416-S420 VanDerWaalsContact O-OG 3.08Å; N417-S420 PolarHBondContact O-N 3.04Å |
| 421 | V | 88.5 | Confident | 86.3 | Confident | 48 Ų | 48 | 35.1 Ų | 35.1 | 29% | 0.291 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -110.1 | -50.2 | -173.8 | 179 | 0 | 0 | 0 | 0 | 112 | N417 I423 E424 R425 | N417-V421 WeakPolarHBondContact O-CB 3.18Å; N417-V421 PolarHBondContact O-N 2.84Å; N417-V421 WeakPolarHBondContact OD1-CB 3.21Å; N417-V421 WeakPolarHBondContact OD1-CG2 3.38Å; V421-I423 PolarHBondContact O-N 2.78Å; V421-E424 PolarHBondContact O-N 2.86Å; V421-R425 HydrophobicContact CG1-CG 4.43Å; V421-R425 WeakPolarHBondContact O-CG 3.26Å; V421-R425 PolarHBondContact O-N 3.1Å |
| 422 | D | 90.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -68.2 | -38 | -172.9 | -78.5 | -19.1 | 0 | 0 | 0 | 112.4 | N417 M418 I426 S617 R620 | N417-D422 PolarHBondContact O-N 3.49Å; M418-D422 PolarHBondContact O-N 3.16Å; D422-I426 WeakPolarHBondContact O-CG1 3.32Å; D422-I426 PolarHBondContact O-N 3.21Å; D422-S617 VanDerWaalsContact CG-OG 3.29Å; D422-S617 PolarHBondContact OD1-OG 3.06Å; D422-R620 IonicContact OD1-CZ 2.71Å; D422-R620 VanDerWaalsContact OD1-CZ 3.31Å; D422-R620 IonicContact OD1-NH1 3.23Å; D422-R620 IonicContact OD1-NH2 3.45Å; D422-R620 PolarHBondContact OD1-NH2 3.34Å; D422-R620 IonicContact OD2-CZ 3.99Å; D422-R620 VanDerWaalsContact OD2-CZ 3.3Å; D422-R620 IonicContact OD2-NE 3.35Å; D422-R620 IonicContact OD2-NH1 2.72Å; D422-R620 PolarHBondContact OD2-NH1 3.16Å; D422-R620 IonicContact OD2-NH2 2.82Å |
| 423 | I | 92.3 | Very high | 86.8 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 171.2 | -68.8 | 179.5 | 0 | 0 | 0 | 110.5 | K388 L391 M392 I395 M418 L419 V421 R425 I426 L427 | K388-I423 HydrophobicContact CB-CG2 4.35Å; K388-I423 HydrophobicContact CG-CG2 3.87Å; L391-I423 HydrophobicContact CB-CD1 3.77Å; L391-I423 HydrophobicContact CB-CG1 3.97Å; L391-I423 HydrophobicContact CD1-CG1 4.46Å; M392-I423 HydrophobicContact CB-CD1 4.29Å; M392-I423 HydrophobicContact CG-CD1 3.51Å; I395-I423 HydrophobicContact CD1-CD1 3.72Å; I395-I423 HydrophobicContact CD1-CG1 4.17Å; M418-I423 PolarHBondContact O-N 3.16Å; L419-I423 HydrophobicContact CD1-CD1 4.04Å; V421-I423 PolarHBondContact O-N 2.78Å; I423-R425 VanDerWaalsContact C-N 3.35Å; I423-R425 PolarHBondContact O-N 2.79Å; I423-I426 WeakPolarHBondContact O-CB 3.17Å; I423-I426 PolarHBondContact O-N 3.22Å; I423-I426 VanDerWaalsContact O-N 3.11Å; I423-L427 HydrophobicContact CG2-CD1 4.11Å; I423-L427 HydrophobicContact CG2-CG 4.43Å; I423-L427 WeakPolarHBondContact O-CG 3.45Å; I423-L427 PolarHBondContact O-N 2.81Å; I423-L427 VanDerWaalsContact O-N 3.13Å |
| 424 | E | 88.8 | Confident | 87.1 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.9 | -42.1 | -177.3 | -159 | 67 | -163.1 | 0 | 0 | 111.7 | K388 V421 I426 L427 E428 | K388-E424 IonicContact NZ-OE1 3.18Å; K388-E424 IonicContact NZ-OE2 3.57Å; K388-E424 PolarHBondContact NZ-OE2 3.48Å; V421-E424 PolarHBondContact O-N 2.86Å; E424-I426 VanDerWaalsContact C-N 3.28Å; E424-I426 PolarHBondContact O-N 2.76Å; E424-L427 WeakPolarHBondContact O-CB 3.44Å; E424-L427 PolarHBondContact O-N 2.62Å; E424-L427 WeakPolarHBondContact OE2-CD1 3.24Å; E424-E428 WeakPolarHBondContact O-CG 3.3Å; E424-E428 PolarHBondContact O-N 3.47Å |
| 425 | R | 87.2 | Confident | 87.2 | Confident | 88 Ų | 88 | 32.5 Ų | 32.5 | 33% | 0.332 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.2 | -39.1 | 172.9 | -72.6 | 175.6 | 175.6 | 176.6 | 0.2 | 112.8 | V421 I423 L427 V429 | V421-R425 HydrophobicContact CG1-CG 4.43Å; V421-R425 WeakPolarHBondContact O-CG 3.26Å; V421-R425 PolarHBondContact O-N 3.1Å; I423-R425 VanDerWaalsContact C-N 3.35Å; I423-R425 PolarHBondContact O-N 2.79Å; R425-L427 VanDerWaalsContact C-N 3.31Å; R425-V429 VanDerWaalsContact O-CG2 3.31Å; R425-V429 WeakPolarHBondContact O-CG2 3.45Å |
| 426 | I | 89.3 | Confident | 87 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.8 | -35.5 | 177 | -67.5 | 165.2 | 0 | 0 | 0 | 111.1 | L391 D422 I423 E424 C430 A614 L618 L621 | L391-I426 HydrophobicContact CD1-CD1 4.08Å; L391-I426 HydrophobicContact CD1-CG2 4.37Å; D422-I426 WeakPolarHBondContact O-CG1 3.32Å; D422-I426 PolarHBondContact O-N 3.21Å; I423-I426 WeakPolarHBondContact O-CB 3.17Å; I423-I426 PolarHBondContact O-N 3.22Å; I423-I426 VanDerWaalsContact O-N 3.11Å; E424-I426 VanDerWaalsContact C-N 3.28Å; E424-I426 PolarHBondContact O-N 2.76Å; I426-C430 PolarHBondContact O-SG 3.43Å; I426-A614 HydrophobicContact CG1-CB 4.49Å; I426-L618 HydrophobicContact CD1-CD2 3.86Å; I426-L618 HydrophobicContact CD1-CG 3.97Å; I426-L618 HydrophobicContact CG1-CG 4.26Å; I426-L621 HydrophobicContact CD1-CD1 3.48Å; I426-L621 VanDerWaalsContact CD1-CD1 3.48Å |
| 427 | L | 89.3 | Confident | 87 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.1 | -41.2 | 178.2 | -60.7 | 169.3 | 0 | 0 | 0 | 112.3 | G384 K388 I423 E424 R425 V429 C430 P431 | G384-L427 WeakPolarHBondContact O-CD2 3.47Å; K388-L427 HydrophobicContact CB-CD1 3.72Å; K388-L427 HydrophobicContact CB-CD2 3.73Å; K388-L427 HydrophobicContact CB-CG 4.29Å; K388-L427 HydrophobicContact CD-CD1 3.5Å; K388-L427 VanDerWaalsContact CD-CD1 3.5Å; K388-L427 HydrophobicContact CG-CD1 3.68Å; I423-L427 HydrophobicContact CG2-CD1 4.11Å; I423-L427 HydrophobicContact CG2-CG 4.43Å; I423-L427 WeakPolarHBondContact O-CG 3.45Å; I423-L427 PolarHBondContact O-N 2.81Å; I423-L427 VanDerWaalsContact O-N 3.13Å; E424-L427 WeakPolarHBondContact O-CB 3.44Å; E424-L427 PolarHBondContact O-N 2.62Å; E424-L427 WeakPolarHBondContact OE2-CD1 3.24Å; R425-L427 VanDerWaalsContact C-N 3.31Å; L427-V429 PolarHBondContact O-N 2.92Å; L427-C430 WeakPolarHBondContact O-CB 3.39Å; L427-C430 PolarHBondContact O-N 3.37Å; L427-P431 WeakPolarHBondContact O-CD 3.28Å |
| 428 | E | 84.2 | Confident | 87.1 | Confident | 93 Ų | 93 | 40.1 Ų | 40.1 | 44% | 0.435 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.8 | -33.4 | 178.4 | -73.3 | 174.1 | 175 | 0 | 0 | 112 | E424 P431 Y432 | E424-E428 WeakPolarHBondContact O-CG 3.3Å; E424-E428 PolarHBondContact O-N 3.47Å; E428-P431 WeakPolarHBondContact O-CD 3.29Å; E428-Y432 WeakPolarHBondContact O-CD2 3.4Å; E428-Y432 WeakPolarHBondContact O-CE2 3.33Å |
| 429 | V | 86.7 | Confident | 86.9 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76 | -26.6 | 178.6 | -165.2 | 0 | 0 | 0 | 0 | 112.5 | R425 L427 Y432 L433 F610 A614 | R425-V429 VanDerWaalsContact O-CG2 3.31Å; R425-V429 WeakPolarHBondContact O-CG2 3.45Å; L427-V429 PolarHBondContact O-N 2.92Å; V429-Y432 CarbonylContact O-C 3.56Å; V429-Y432 WeakPolarHBondContact O-CA 3.33Å; V429-Y432 PolarHBondContact O-N 2.8Å; V429-L433 HydrophobicContact CG1-CD2 3.58Å; V429-L433 HydrophobicContact CG1-CG 3.86Å; V429-L433 WeakPolarHBondContact O-CG 3.45Å; V429-L433 PolarHBondContact O-N 2.82Å; V429-F610 HydrophobicContact CG1-CB 4.48Å; V429-F610 HydrophobicContact CG2-CB 3.89Å; V429-F610 WeakPolarHBondContact CG2-O 3.27Å; V429-A614 HydrophobicContact CB-CB 4.32Å; V429-A614 HydrophobicContact CG2-CB 3.53Å |
| 430 | C | 87.3 | Confident | 86.8 | Confident | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -43 | -171.3 | -70.6 | 0 | 0 | 0 | 0 | 114.6 | I426 L427 Y432 | I426-C430 PolarHBondContact O-SG 3.43Å; L427-C430 WeakPolarHBondContact O-CB 3.39Å; L427-C430 PolarHBondContact O-N 3.37Å; C430-Y432 VanDerWaalsContact C-N 3.26Å; C430-Y432 PolarHBondContact O-N 3.39Å |
| 431 | P | 85.1 | Confident | 86.9 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17.9 | 174.8 | -19.1 | 33.2 | 0 | 0 | 0 | 114.9 | Y376 Y377 F381 L427 E428 | Y376-P431 PolarHBondContact OH-O 2.99Å; Y377-P431 HydrophobicContact CD1-CB 4.33Å; Y377-P431 HydrophobicContact CE1-CB 4.42Å; F381-P431 HydrophobicContact CD1-CG 3.75Å; F381-P431 HydrophobicContact CE1-CB 4.34Å; F381-P431 HydrophobicContact CE1-CG 3.36Å; F381-P431 HydrophobicContact CE2-CG 4.3Å; F381-P431 HydrophobicContact CG-CG 4.35Å; F381-P431 HydrophobicContact CZ-CB 4.16Å; F381-P431 HydrophobicContact CZ-CG 3.66Å; L427-P431 WeakPolarHBondContact O-CD 3.28Å; E428-P431 WeakPolarHBondContact O-CD 3.29Å |
| 432 | Y | 85.2 | Confident | 87 | Confident | 87 Ų | 87 | 41.7 Ų | 41.7 | 34% | 0.341 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -12.7 | -177.6 | -55.5 | -75.8 | 0 | 0 | 0 | 113.5 | E428 V429 C430 L434 L435 F610 | E428-Y432 WeakPolarHBondContact O-CD2 3.4Å; E428-Y432 WeakPolarHBondContact O-CE2 3.33Å; V429-Y432 CarbonylContact O-C 3.56Å; V429-Y432 WeakPolarHBondContact O-CA 3.33Å; V429-Y432 PolarHBondContact O-N 2.8Å; C430-Y432 VanDerWaalsContact C-N 3.26Å; C430-Y432 PolarHBondContact O-N 3.39Å; Y432-L434 VanDerWaalsContact C-N 3.26Å; Y432-L434 PolarHBondContact O-N 3.33Å; Y432-L435 HydrophobicContact CD1-CD2 4.35Å; Y432-L435 WeakPolarHBondContact O-CA 3.42Å; Y432-L435 WeakPolarHBondContact O-CB 3.48Å; Y432-L435 PolarHBondContact O-N 3.28Å; Y432-F610 HydrophobicContact CD2-CD2 4.2Å; Y432-F610 HydrophobicContact CD2-CE2 4.3Å; Y432-F610 HydrophobicContact CE2-CD2 4.49Å; Y432-F610 HydrophobicContact CE2-CE2 4.13Å |
| 433 | L | 80.7 | Confident | 86.9 | Confident | 74 Ų | 74 | 43.1 Ų | 43.1 | 39% | 0.387 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -41.5 | -178.6 | -80.1 | 174.2 | 0 | 0 | 0 | 113 | V429 L435 V436 | V429-L433 HydrophobicContact CG1-CD2 3.58Å; V429-L433 HydrophobicContact CG1-CG 3.86Å; V429-L433 WeakPolarHBondContact O-CG 3.45Å; V429-L433 PolarHBondContact O-N 2.82Å; L433-L435 VanDerWaalsContact C-N 3.29Å; L433-V436 WeakPolarHBondContact O-CB 3.41Å; L433-V436 WeakPolarHBondContact O-CG2 2.89Å; L433-V436 PolarHBondContact O-N 3.07Å |
| 434 | L | 82.7 | Confident | 86.9 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -12.5 | -179.8 | -66.6 | 173.7 | 0 | 0 | 0 | 113.1 | S320 L321 Y376 T380 Y432 V436 W437 S438 | S320-L434 WeakPolarHBondContact OG-CD1 3.02Å; L321-L434 HydrophobicContact CB-CD2 4.31Å; L321-L434 HydrophobicContact CD1-CD2 4.17Å; Y376-L434 HydrophobicContact CE2-CB 4.06Å; Y376-L434 HydrophobicContact CE2-CD1 3.78Å; T380-L434 HydrophobicContact CG2-CD1 4.4Å; Y432-L434 VanDerWaalsContact C-N 3.26Å; Y432-L434 PolarHBondContact O-N 3.33Å; L434-V436 PolarHBondContact O-N 3.26Å; L434-W437 PolarHBondContact O-N 2.82Å; L434-S438 PolarHBondContact O-N 2.75Å |
| 435 | L | 84.2 | Confident | 87 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.1 | -21.8 | 173.2 | -167.9 | 57.5 | 0 | 0 | 0 | 111.8 | Y432 L433 W437 S438 A439 L603 I607 | Y432-L435 HydrophobicContact CD1-CD2 4.35Å; Y432-L435 WeakPolarHBondContact O-CA 3.42Å; Y432-L435 WeakPolarHBondContact O-CB 3.48Å; Y432-L435 PolarHBondContact O-N 3.28Å; L433-L435 VanDerWaalsContact C-N 3.29Å; L435-W437 PolarHBondContact O-N 2.8Å; L435-S438 PolarHBondContact O-N 3.07Å; L435-A439 HydrophobicContact CD1-CB 4.23Å; L435-A439 HydrophobicContact CG-CB 4.29Å; L435-A439 VanDerWaalsContact O-CB 3.29Å; L435-A439 WeakPolarHBondContact O-CB 3.49Å; L435-A439 PolarHBondContact O-N 3.43Å; L435-L603 HydrophobicContact CD2-CB 4.26Å; L435-L603 HydrophobicContact CD2-CD1 3.68Å; L435-I607 HydrophobicContact CB-CD1 3.99Å; L435-I607 HydrophobicContact CD2-CD1 3.43Å; L435-I607 VanDerWaalsContact CD2-CD1 3.43Å; L435-I607 HydrophobicContact CD2-CG1 4.17Å; L435-I607 HydrophobicContact CG-CD1 3.56Å |
| 436 | V | 83.1 | Confident | 87.1 | Confident | 89 Ų | 89 | 43.1 Ų | 43.1 | 54% | 0.539 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.3 | -33.1 | 171.5 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | L433 L434 P440 I607 | L433-V436 WeakPolarHBondContact O-CB 3.41Å; L433-V436 WeakPolarHBondContact O-CG2 2.89Å; L433-V436 PolarHBondContact O-N 3.07Å; L434-V436 PolarHBondContact O-N 3.26Å; V436-P440 WeakPolarHBondContact O-CD 3.48Å; V436-P440 WeakPolarHBondContact O-CG 3.43Å; V436-I607 HydrophobicContact CG2-CG2 3.66Å |
| 437 | W | 87 | Confident | 87.1 | Confident | 159 Ų | 159 | 44.9 Ų | 44.9 | 60% | 0.602 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -87.7 | -42 | 174.3 | 171.9 | -96.3 | 0 | 0 | 0 | 112.6 | L321 L434 L435 P440 | L321-W437 HydrophobicContact CD1-CB 4.46Å; L321-W437 HydrophobicContact CD1-CG 4.09Å; L434-W437 PolarHBondContact O-N 2.82Å; L435-W437 PolarHBondContact O-N 2.8Å; W437-P440 WeakPolarHBondContact O-CD 3.46Å |
| 438 | S | 88.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71 | -38.6 | -174.9 | 158.5 | 0 | 0 | 0 | 0 | 113.1 | K324 D328 L434 L435 L441 E442 | K324-S438 WeakPolarHBondContact CE-OG 3.25Å; D328-S438 VanDerWaalsContact OD2-CB 3.29Å; D328-S438 WeakPolarHBondContact OD2-CB 3.45Å; D328-S438 PolarHBondContact OD2-OG 3.22Å; L434-S438 PolarHBondContact O-N 2.75Å; L435-S438 PolarHBondContact O-N 3.07Å; S438-L441 WeakPolarHBondContact O-CB 3.49Å; S438-L441 PolarHBondContact O-N 3.02Å; S438-L441 VanDerWaalsContact O-N 3.12Å; S438-E442 WeakPolarHBondContact O-CG 3.22Å; S438-E442 PolarHBondContact O-N 3.45Å; S438-E442 PolarHBondContact OG-OE1 2.95Å |
| 439 | A | 87.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L435 L441 E442 V443 P600 I604 | L435-A439 HydrophobicContact CD1-CB 4.23Å; L435-A439 HydrophobicContact CG-CB 4.29Å; L435-A439 VanDerWaalsContact O-CB 3.29Å; L435-A439 WeakPolarHBondContact O-CB 3.49Å; L435-A439 PolarHBondContact O-N 3.43Å; A439-L441 VanDerWaalsContact C-N 3.31Å; A439-L441 PolarHBondContact O-N 2.8Å; A439-E442 PolarHBondContact O-N 3Å; A439-V443 WeakPolarHBondContact O-CG2 3.5Å; A439-V443 PolarHBondContact O-N 3.28Å; A439-P600 HydrophobicContact CB-CB 3.83Å; A439-I604 HydrophobicContact CB-CG1 4.29Å |
| 440 | P | 88 | Confident | 87.8 | Confident | 64 Ų | 64 | 46.8 Ų | 46.8 | 42% | 0.416 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.7 | -39.8 | 170.9 | -26.5 | 34.5 | 0 | 0 | 0 | 113.5 | V436 W437 V443 I444 | V436-P440 WeakPolarHBondContact O-CD 3.48Å; V436-P440 WeakPolarHBondContact O-CG 3.43Å; W437-P440 WeakPolarHBondContact O-CD 3.46Å; P440-V443 PolarHBondContact O-N 3.19Å; P440-I444 WeakPolarHBondContact O-CB 3.32Å; P440-I444 WeakPolarHBondContact O-CD1 3.42Å; P440-I444 VanDerWaalsContact O-CG1 3.22Å; P440-I444 WeakPolarHBondContact O-CG1 3.47Å; P440-I444 PolarHBondContact O-N 3.31Å |
| 441 | L | 89.8 | Confident | 88.1 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 176.5 | 178.1 | 70.1 | 0 | 0 | 0 | 111.1 | T325 S438 A439 I444 L445 | T325-L441 HydrophobicContact CG2-CD2 4.49Å; S438-L441 WeakPolarHBondContact O-CB 3.49Å; S438-L441 PolarHBondContact O-N 3.02Å; S438-L441 VanDerWaalsContact O-N 3.12Å; A439-L441 VanDerWaalsContact C-N 3.31Å; A439-L441 PolarHBondContact O-N 2.8Å; L441-I444 PolarHBondContact O-N 3.17Å; L441-L445 HydrophobicContact CD1-CD1 4.2Å; L441-L445 HydrophobicContact CD1-CG 4.37Å; L441-L445 HydrophobicContact CG-CD1 4.02Å; L441-L445 WeakPolarHBondContact O-CB 3.4Å; L441-L445 WeakPolarHBondContact O-CG 3.2Å; L441-L445 PolarHBondContact O-N 2.96Å |
| 442 | E | 90.5 | Very high | 88.3 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 177 | -68.5 | 176.4 | -176.2 | 0 | 0 | 111.3 | K324 D328 F332 S438 A439 I444 L445 A446 P600 | K324-E442 IonicContact NZ-OE1 2.78Å; K324-E442 PolarHBondContact NZ-OE1 2.73Å; D328-E442 HydrophobicContact CB-CG 4.47Å; F332-E442 HydrophobicContact CE2-CB 4.03Å; F332-E442 HydrophobicContact CE2-CG 4.05Å; F332-E442 HydrophobicContact CZ-CB 4.12Å; F332-E442 WeakPolarHBondContact CZ-O 3.49Å; S438-E442 WeakPolarHBondContact O-CG 3.22Å; S438-E442 PolarHBondContact O-N 3.45Å; S438-E442 PolarHBondContact OG-OE1 2.95Å; A439-E442 PolarHBondContact O-N 3Å; E442-I444 PolarHBondContact O-N 3.17Å; E442-L445 PolarHBondContact O-N 3.45Å; E442-A446 VanDerWaalsContact O-CB 3.28Å; E442-A446 WeakPolarHBondContact O-CB 3.32Å; E442-A446 PolarHBondContact O-N 3.41Å; E442-P600 HydrophobicContact CB-CB 4.5Å; E442-P600 HydrophobicContact CB-CG 4.22Å |
| 443 | V | 89 | Confident | 88.5 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 19% | 0.188 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | A439 P440 A446 L447 L597 P600 I601 | A439-V443 WeakPolarHBondContact O-CG2 3.5Å; A439-V443 PolarHBondContact O-N 3.28Å; P440-V443 PolarHBondContact O-N 3.19Å; V443-A446 PolarHBondContact O-N 3.35Å; V443-L447 HydrophobicContact CG1-CD1 3.94Å; V443-L447 HydrophobicContact CG1-CG 4.48Å; V443-L447 WeakPolarHBondContact O-CB 3.34Å; V443-L447 VanDerWaalsContact O-CG 3.28Å; V443-L447 WeakPolarHBondContact O-CG 3.33Å; V443-L447 PolarHBondContact O-N 3.44Å; V443-L597 HydrophobicContact CB-CD1 4.18Å; V443-L597 HydrophobicContact CG1-CD1 4.17Å; V443-L597 HydrophobicContact CG2-CD1 3.85Å; V443-P600 HydrophobicContact CG2-CB 4.23Å; V443-P600 HydrophobicContact CG2-CG 4.17Å; V443-I601 HydrophobicContact CG2-CG1 4.45Å |
| 444 | I | 90.6 | Very high | 88.9 | Confident | 102 Ų | 102 | 49.8 Ų | 49.8 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63 | -48 | 178.9 | -68.7 | 164.9 | 0 | 0 | 0 | 110.6 | P440 L441 E442 A446 L447 V448 | P440-I444 WeakPolarHBondContact O-CB 3.32Å; P440-I444 WeakPolarHBondContact O-CD1 3.42Å; P440-I444 VanDerWaalsContact O-CG1 3.22Å; P440-I444 WeakPolarHBondContact O-CG1 3.47Å; P440-I444 PolarHBondContact O-N 3.31Å; L441-I444 PolarHBondContact O-N 3.17Å; E442-I444 PolarHBondContact O-N 3.17Å; I444-A446 PolarHBondContact O-N 3.44Å; I444-L447 PolarHBondContact O-N 2.97Å; I444-V448 HydrophobicContact CG2-CG2 4.46Å; I444-V448 VanDerWaalsContact O-CG2 3.31Å; I444-V448 WeakPolarHBondContact O-CG2 3.27Å; I444-V448 PolarHBondContact O-N 3.21Å |
| 445 | L | 90.8 | Very high | 89.2 | Confident | 43 Ų | 43 | 49.1 Ų | 49.1 | 23% | 0.225 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 179.1 | -71.8 | 173.8 | 0 | 0 | 0 | 111.8 | F332 L441 E442 L447 V448 F449 | F332-L445 HydrophobicContact CD1-CB 4.21Å; F332-L445 HydrophobicContact CD2-CB 4Å; F332-L445 HydrophobicContact CD2-CD1 3.77Å; F332-L445 HydrophobicContact CE1-CB 4.05Å; F332-L445 HydrophobicContact CE2-CB 3.85Å; F332-L445 HydrophobicContact CE2-CD1 3.99Å; F332-L445 HydrophobicContact CG-CB 4.2Å; F332-L445 HydrophobicContact CG-CD1 4.46Å; F332-L445 HydrophobicContact CZ-CB 3.88Å; L441-L445 HydrophobicContact CD1-CD1 4.2Å; L441-L445 HydrophobicContact CD1-CG 4.37Å; L441-L445 HydrophobicContact CG-CD1 4.02Å; L441-L445 WeakPolarHBondContact O-CB 3.4Å; L441-L445 WeakPolarHBondContact O-CG 3.2Å; L441-L445 PolarHBondContact O-N 2.96Å; E442-L445 PolarHBondContact O-N 3.45Å; L445-L447 VanDerWaalsContact C-N 3.35Å; L445-L447 PolarHBondContact O-N 3.01Å; L445-V448 PolarHBondContact O-N 3.49Å; L445-F449 HydrophobicContact CB-CE2 4.43Å; L445-F449 WeakPolarHBondContact O-CD2 3.44Å; L445-F449 PolarHBondContact O-N 3.43Å |
| 446 | A | 90.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F332 E442 V443 I444 F449 L450 L597 | F332-A446 HydrophobicContact CE1-CB 3.74Å; F332-A446 HydrophobicContact CZ-CB 4.06Å; E442-A446 VanDerWaalsContact O-CB 3.28Å; E442-A446 WeakPolarHBondContact O-CB 3.32Å; E442-A446 PolarHBondContact O-N 3.41Å; V443-A446 PolarHBondContact O-N 3.35Å; I444-A446 PolarHBondContact O-N 3.44Å; A446-F449 PolarHBondContact O-N 3.37Å; A446-L450 VanDerWaalsContact O-CB 3.25Å; A446-L450 WeakPolarHBondContact O-CB 3.39Å; A446-L450 VanDerWaalsContact O-CG 3.24Å; A446-L450 WeakPolarHBondContact O-CG 3.36Å; A446-L450 PolarHBondContact O-N 3.26Å; A446-L597 HydrophobicContact CB-CB 4.11Å; A446-L597 HydrophobicContact CB-CD1 3.98Å; A446-L597 HydrophobicContact CB-CD2 4.49Å; A446-L597 HydrophobicContact CB-CG 4.42Å |
| 447 | L | 89.8 | Confident | 89.7 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 178.4 | -73.7 | 173.6 | 0 | 0 | 0 | 112.5 | V443 I444 L445 L450 W451 V458 L462 | V443-L447 HydrophobicContact CG1-CD1 3.94Å; V443-L447 HydrophobicContact CG1-CG 4.48Å; V443-L447 WeakPolarHBondContact O-CB 3.34Å; V443-L447 VanDerWaalsContact O-CG 3.28Å; V443-L447 WeakPolarHBondContact O-CG 3.33Å; V443-L447 PolarHBondContact O-N 3.44Å; I444-L447 PolarHBondContact O-N 2.97Å; L445-L447 VanDerWaalsContact C-N 3.35Å; L445-L447 PolarHBondContact O-N 3.01Å; L447-L450 PolarHBondContact O-N 3.17Å; L447-W451 WeakPolarHBondContact O-CB 3.41Å; L447-W451 PolarHBondContact O-N 2.91Å; L447-V458 HydrophobicContact CD2-CG1 4.03Å; L447-L462 HydrophobicContact CD1-CD2 4.39Å; L447-L462 HydrophobicContact CD2-CD1 4.12Å; L447-L462 HydrophobicContact CD2-CD2 3.93Å; L447-L462 HydrophobicContact CD2-CG 4.47Å |
| 448 | V | 92 | Very high | 89.8 | Confident | 88 Ų | 88 | 41.4 Ų | 41.4 | 53% | 0.533 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | I444 L445 S452 | I444-V448 HydrophobicContact CG2-CG2 4.46Å; I444-V448 VanDerWaalsContact O-CG2 3.31Å; I444-V448 WeakPolarHBondContact O-CG2 3.27Å; I444-V448 PolarHBondContact O-N 3.21Å; L445-V448 PolarHBondContact O-N 3.49Å; V448-S452 PolarHBondContact O-N 3.43Å; V448-S452 VanDerWaalsContact O-N 3.1Å |
| 449 | F | 91.7 | Very high | 89.8 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 26% | 0.263 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | 178.8 | -67.6 | -50.4 | 0 | 0 | 0 | 113.1 | F332 L336 L445 A446 S452 N453 L593 | F332-F449 HydrophobicContact CB-CD2 4.44Å; F332-F449 HydrophobicContact CB-CE2 3.88Å; F332-F449 AromaticContact CD1-CD2 3.81Å; F332-F449 HydrophobicContact CD1-CD2 3.81Å; F332-F449 HydrophobicContact CD1-CE2 4.02Å; F332-F449 HydrophobicContact CG-CD2 4.4Å; F332-F449 HydrophobicContact CG-CE2 4.15Å; L336-F449 HydrophobicContact CD1-CE1 4.02Å; L336-F449 HydrophobicContact CD1-CZ 4.02Å; L336-F449 HydrophobicContact CD2-CD1 4.19Å; L336-F449 HydrophobicContact CD2-CE1 4.31Å; L445-F449 HydrophobicContact CB-CE2 4.43Å; L445-F449 WeakPolarHBondContact O-CD2 3.44Å; L445-F449 PolarHBondContact O-N 3.43Å; A446-F449 PolarHBondContact O-N 3.37Å; F449-S452 PolarHBondContact O-N 3.44Å; F449-N453 PolarHBondContact O-N 2.86Å; F449-L593 HydrophobicContact CB-CD1 3.78Å; F449-L593 HydrophobicContact CB-CD2 3.99Å; F449-L593 HydrophobicContact CD2-CD2 4.47Å |
| 450 | L | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 174.3 | -78.6 | 168.2 | 0 | 0 | 0 | 111.1 | A446 L447 S452 N453 L454 V458 L593 F594 L597 | A446-L450 VanDerWaalsContact O-CB 3.25Å; A446-L450 WeakPolarHBondContact O-CB 3.39Å; A446-L450 VanDerWaalsContact O-CG 3.24Å; A446-L450 WeakPolarHBondContact O-CG 3.36Å; A446-L450 PolarHBondContact O-N 3.26Å; L447-L450 PolarHBondContact O-N 3.17Å; L450-S452 VanDerWaalsContact C-N 3.28Å; L450-S452 PolarHBondContact O-N 3.03Å; L450-N453 PolarHBondContact O-N 3.37Å; L450-L454 HydrophobicContact CD2-CD1 4.44Å; L450-L454 PolarHBondContact O-N 3.33Å; L450-V458 VanDerWaalsContact C-CG2 3.44Å; L450-V458 HydrophobicContact CB-CG1 3.92Å; L450-V458 HydrophobicContact CB-CG2 3.8Å; L450-V458 HydrophobicContact CD1-CG1 4.46Å; L450-V458 VanDerWaalsContact O-CG2 3.29Å; L450-V458 WeakPolarHBondContact O-CG2 3.02Å; L450-L593 HydrophobicContact CD1-CB 4.35Å; L450-L593 HydrophobicContact CD2-CB 3.65Å; L450-L593 HydrophobicContact CD2-CD1 3.96Å; L450-L593 HydrophobicContact CD2-CG 4.48Å; L450-L593 HydrophobicContact CG-CB 3.79Å; L450-L593 HydrophobicContact CG-CD1 4.02Å; L450-F594 HydrophobicContact CD1-CD1 3.81Å; L450-F594 HydrophobicContact CD1-CE1 3.67Å; L450-F594 HydrophobicContact CD1-CZ 4.43Å; L450-F594 HydrophobicContact CD2-CD1 4.25Å; L450-F594 HydrophobicContact CD2-CD2 4.48Å; L450-F594 HydrophobicContact CD2-CE1 3.98Å; L450-F594 HydrophobicContact CD2-CE2 4.21Å; L450-F594 HydrophobicContact CD2-CG 4.49Å; L450-F594 HydrophobicContact CD2-CZ 3.95Å; L450-F594 HydrophobicContact CG-CE1 4.48Å; L450-L597 HydrophobicContact CD1-CD2 4.09Å |
| 451 | W | 92.6 | Very high | 89.9 | Confident | 131 Ų | 131 | 44.6 Ų | 44.6 | 50% | 0.496 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 178.5 | -175.9 | -81.6 | 0 | 0 | 0 | 111.4 | L447 N453 G455 P456 L459 | L447-W451 WeakPolarHBondContact O-CB 3.41Å; L447-W451 PolarHBondContact O-N 2.91Å; W451-N453 PolarHBondContact O-N 2.78Å; W451-G455 WeakPolarHBondContact O-CA 3.26Å; W451-G455 PolarHBondContact O-N 3.38Å; W451-P456 HydrophobicContact CH2-CB 4.36Å; W451-P456 HydrophobicContact CH2-CG 4.41Å; W451-P456 HydrophobicContact CZ2-CG 4.47Å; W451-L459 HydrophobicContact CH2-CD1 4.49Å; W451-L459 HydrophobicContact CZ3-CD1 4.06Å; W451-L459 HydrophobicContact CZ3-CD2 4.3Å; W451-L459 HydrophobicContact CZ3-CG 3.98Å |
| 452 | S | 90.2 | Very high | 89.7 | Confident | 86 Ų | 86 | 44.1 Ų | 44.1 | 60% | 0.601 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.7 | -22.7 | 174 | -177.5 | 0 | 0 | 0 | 0 | 113.7 | V448 F449 L450 | V448-S452 PolarHBondContact O-N 3.43Å; V448-S452 VanDerWaalsContact O-N 3.1Å; F449-S452 PolarHBondContact O-N 3.44Å; L450-S452 VanDerWaalsContact C-N 3.28Å; L450-S452 PolarHBondContact O-N 3.03Å |
| 453 | N | 88.3 | Confident | 89.6 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 10% | 0.102 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -101.1 | -39.5 | -174.2 | -159.1 | 39.9 | 0 | 0 | 0 | 113.3 | F449 L450 W451 V586 S590 | F449-N453 PolarHBondContact O-N 2.86Å; L450-N453 PolarHBondContact O-N 3.37Å; W451-N453 PolarHBondContact O-N 2.78Å; N453-V586 PolarHBondContact ND2-O 3.22Å; N453-V586 VanDerWaalsContact ND2-O 3.16Å; N453-S590 PolarHBondContact ND2-OG 2.93Å |
| 454 | L | 89.2 | Confident | 89.6 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -112.9 | -4.4 | -176.1 | -69.9 | 172.1 | 0 | 0 | 0 | 113.3 | L450 S457 V458 F570 F573 V586 S590 F594 | L450-L454 HydrophobicContact CD2-CD1 4.44Å; L450-L454 PolarHBondContact O-N 3.33Å; L454-S457 PolarHBondContact O-N 3.04Å; L454-V458 HydrophobicContact CB-CG2 3.66Å; L454-V458 HydrophobicContact CD1-CG2 4.28Å; L454-F570 HydrophobicContact CD2-CD1 4.22Å; L454-F570 HydrophobicContact CD2-CE1 4.27Å; L454-F573 HydrophobicContact CD2-CB 4.32Å; L454-F573 HydrophobicContact CD2-CD1 4.39Å; L454-F573 HydrophobicContact CD2-CD2 4.09Å; L454-F573 HydrophobicContact CD2-CG 4.02Å; L454-F573 WeakPolarHBondContact O-CD2 3.37Å; L454-V586 HydrophobicContact CD2-CG1 3.56Å; L454-S590 WeakPolarHBondContact CD1-OG 3.27Å; L454-S590 WeakPolarHBondContact CG-OG 3.48Å; L454-F594 HydrophobicContact CD1-CE2 4.16Å; L454-F594 HydrophobicContact CD1-CZ 4.03Å |
| 455 | G | 88.9 | Confident | 89.2 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | 61.6 | -144 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | W451 S457 V458 | W451-G455 WeakPolarHBondContact O-CA 3.26Å; W451-G455 PolarHBondContact O-N 3.38Å; G455-S457 PolarHBondContact O-N 3.22Å; G455-S457 VanDerWaalsContact O-N 3.13Å; G455-V458 WeakPolarHBondContact O-CG2 3.29Å; G455-V458 PolarHBondContact O-N 3.11Å |
| 456 | P | 89.6 | Confident | 88.9 | Confident | 90 Ų | 90 | 42.5 Ų | 42.5 | 58% | 0.584 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -59.7 | -21.5 | -179.7 | -25.4 | 35.6 | 0 | 0 | 0 | 115 | W451 V458 L459 | W451-P456 HydrophobicContact CH2-CB 4.36Å; W451-P456 HydrophobicContact CH2-CG 4.41Å; W451-P456 HydrophobicContact CZ2-CG 4.47Å; P456-V458 PolarHBondContact O-N 2.82Å; P456-V458 VanDerWaalsContact O-N 3.11Å; P456-L459 WeakPolarHBondContact O-CB 3.44Å; P456-L459 PolarHBondContact O-N 3.13Å |
| 457 | S | 88.8 | Confident | 88.7 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -65.2 | -14.5 | -177.6 | -53.9 | 0 | 0 | 0 | 0 | 114 | L454 G455 L459 A460 F573 | L454-S457 PolarHBondContact O-N 3.04Å; G455-S457 PolarHBondContact O-N 3.22Å; G455-S457 VanDerWaalsContact O-N 3.13Å; S457-L459 PolarHBondContact O-N 3.47Å; S457-A460 PolarHBondContact O-N 2.91Å; S457-F573 VanDerWaalsContact OG-CA 3.28Å; S457-F573 WeakPolarHBondContact OG-CA 3.45Å; S457-F573 PolarHBondContact OG-N 3.31Å |
| 458 | V | 88.7 | Confident | 88.5 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -34.7 | 170 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | L447 L450 L454 G455 P456 A460 G461 L462 | L447-V458 HydrophobicContact CD2-CG1 4.03Å; L450-V458 VanDerWaalsContact C-CG2 3.44Å; L450-V458 HydrophobicContact CB-CG1 3.92Å; L450-V458 HydrophobicContact CB-CG2 3.8Å; L450-V458 HydrophobicContact CD1-CG1 4.46Å; L450-V458 VanDerWaalsContact O-CG2 3.29Å; L450-V458 WeakPolarHBondContact O-CG2 3.02Å; L454-V458 HydrophobicContact CB-CG2 3.66Å; L454-V458 HydrophobicContact CD1-CG2 4.28Å; G455-V458 WeakPolarHBondContact O-CG2 3.29Å; G455-V458 PolarHBondContact O-N 3.11Å; P456-V458 PolarHBondContact O-N 2.82Å; P456-V458 VanDerWaalsContact O-N 3.11Å; V458-A460 PolarHBondContact O-N 3.49Å; V458-G461 PolarHBondContact O-N 3.34Å; V458-L462 WeakPolarHBondContact O-CB 3.41Å; V458-L462 PolarHBondContact O-N 3.27Å |
| 459 | L | 89.3 | Confident | 88 | Confident | 103 Ų | 103 | 45.3 Ų | 45.3 | 54% | 0.539 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.7 | -30.8 | -178.4 | -65.4 | 175.4 | 0 | 0 | 0 | 112.1 | W451 P456 S457 G463 | W451-L459 HydrophobicContact CH2-CD1 4.49Å; W451-L459 HydrophobicContact CZ3-CD1 4.06Å; W451-L459 HydrophobicContact CZ3-CD2 4.3Å; W451-L459 HydrophobicContact CZ3-CG 3.98Å; P456-L459 WeakPolarHBondContact O-CB 3.44Å; P456-L459 PolarHBondContact O-N 3.13Å; S457-L459 PolarHBondContact O-N 3.47Å; L459-G463 PolarHBondContact O-N 3.11Å |
| 460 | A | 89.7 | Confident | 87.8 | Confident | 30 Ų | 30 | 46 Ų | 46 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S457 V458 G463 V464 V568 T572 | S457-A460 PolarHBondContact O-N 2.91Å; V458-A460 PolarHBondContact O-N 3.49Å; A460-G463 PolarHBondContact O-N 3.17Å; A460-V464 PolarHBondContact O-N 3.01Å; A460-V464 VanDerWaalsContact O-N 3.12Å; A460-V568 HydrophobicContact CB-CG1 3.74Å; A460-T572 HydrophobicContact CB-CG2 3.66Å |
| 461 | G | 87.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V458 G463 V464 M465 S569 | V458-G461 PolarHBondContact O-N 3.34Å; G461-G463 VanDerWaalsContact C-N 3.3Å; G461-G463 PolarHBondContact O-N 2.94Å; G461-V464 PolarHBondContact O-N 3.13Å; G461-M465 PolarHBondContact O-N 3.36Å; G461-S569 WeakPolarHBondContact CA-OG 3.46Å; G461-S569 PolarHBondContact N-OG 3.37Å |
| 462 | L | 85.4 | Confident | 87.3 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 172.4 | -176.4 | 63.9 | 0 | 0 | 0 | 111.3 | L447 V458 V464 M465 V466 | L447-L462 HydrophobicContact CD1-CD2 4.39Å; L447-L462 HydrophobicContact CD2-CD1 4.12Å; L447-L462 HydrophobicContact CD2-CD2 3.93Å; L447-L462 HydrophobicContact CD2-CG 4.47Å; V458-L462 WeakPolarHBondContact O-CB 3.41Å; V458-L462 PolarHBondContact O-N 3.27Å; L462-V464 VanDerWaalsContact C-N 3.33Å; L462-V464 PolarHBondContact O-N 3.28Å; L462-M465 WeakPolarHBondContact O-CB 3.35Å; L462-M465 PolarHBondContact O-N 3.29Å; L462-V466 HydrophobicContact CD1-CG2 4.28Å; L462-V466 HydrophobicContact CG-CG2 4.28Å; L462-V466 WeakPolarHBondContact O-CB 3.49Å; L462-V466 VanDerWaalsContact O-CG2 3.29Å; L462-V466 WeakPolarHBondContact O-CG2 3.46Å; L462-V466 PolarHBondContact O-N 2.89Å |
| 463 | G | 88.4 | Confident | 87 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L459 A460 G461 V466 L467 | L459-G463 PolarHBondContact O-N 3.11Å; A460-G463 PolarHBondContact O-N 3.17Å; G461-G463 VanDerWaalsContact C-N 3.3Å; G461-G463 PolarHBondContact O-N 2.94Å; G463-V466 PolarHBondContact O-N 2.98Å; G463-L467 VanDerWaalsContact O-CB 3.27Å; G463-L467 WeakPolarHBondContact O-CB 3.48Å; G463-L467 PolarHBondContact O-N 2.89Å |
| 464 | V | 88.7 | Confident | 86.9 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 173.6 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | A460 G461 L462 V466 L467 M468 L564 I565 V568 | A460-V464 PolarHBondContact O-N 3.01Å; A460-V464 VanDerWaalsContact O-N 3.12Å; G461-V464 PolarHBondContact O-N 3.13Å; L462-V464 VanDerWaalsContact C-N 3.33Å; L462-V464 PolarHBondContact O-N 3.28Å; V464-V466 PolarHBondContact O-N 3.5Å; V464-L467 PolarHBondContact O-N 3.45Å; V464-M468 HydrophobicContact CG1-CG 4.43Å; V464-M468 VanDerWaalsContact O-CG 3.3Å; V464-M468 WeakPolarHBondContact O-CG 3.14Å; V464-M468 PolarHBondContact O-N 3.41Å; V464-L564 HydrophobicContact CG1-CD2 3.65Å; V464-L564 HydrophobicContact CG1-CG 3.9Å; V464-I565 HydrophobicContact CB-CG1 4.22Å; V464-I565 HydrophobicContact CG1-CG1 3.91Å; V464-V568 HydrophobicContact CG2-CB 4.02Å; V464-V568 HydrophobicContact CG2-CG1 3.9Å; V464-V568 HydrophobicContact CG2-CG2 3.92Å |
| 465 | M | 83.5 | Confident | 86.9 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 7% | 0.069 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 176.3 | -74.2 | -176.7 | 167.8 | 0 | 0 | 111.6 | G461 L462 L467 M468 V469 I565 F594 L597 I601 | G461-M465 PolarHBondContact O-N 3.36Å; L462-M465 WeakPolarHBondContact O-CB 3.35Å; L462-M465 PolarHBondContact O-N 3.29Å; M465-L467 VanDerWaalsContact C-N 3.31Å; M465-L467 PolarHBondContact O-N 3.38Å; M465-M468 PolarHBondContact O-N 3.32Å; M465-V469 PolarHBondContact O-N 3.23Å; M465-I565 HydrophobicContact CE-CD1 3.63Å; M465-I565 HydrophobicContact CE-CG1 4.49Å; M465-I565 HydrophobicContact CE-CG2 4.1Å; M465-I565 HydrophobicContact CG-CD1 3.3Å; M465-I565 HydrophobicContact CG-CG1 3.8Å; M465-I565 HydrophobicContact SD-CD1 4.29Å; M465-F594 HydrophobicContact CE-CB 4.4Å; M465-F594 HydrophobicContact CE-CD1 3.73Å; M465-F594 HydrophobicContact CE-CG 4.47Å; M465-L597 HydrophobicContact CE-CB 4.34Å; M465-L597 HydrophobicContact CE-CD2 3.8Å; M465-L597 HydrophobicContact CE-CG 4.04Å; M465-L597 HydrophobicContact SD-CD2 3.57Å; M465-L597 VanDerWaalsContact SD-CD2 3.57Å; M465-L597 HydrophobicContact SD-CG 3.98Å; M465-I601 HydrophobicContact CB-CD1 4.39Å; M465-I601 HydrophobicContact SD-CD1 3.65Å |
| 466 | V | 82.9 | Confident | 86.6 | Confident | 92 Ų | 92 | 49.7 Ų | 49.7 | 56% | 0.558 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.3 | -35.7 | 179.2 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | L462 G463 V464 P470 | L462-V466 HydrophobicContact CD1-CG2 4.28Å; L462-V466 HydrophobicContact CG-CG2 4.28Å; L462-V466 WeakPolarHBondContact O-CB 3.49Å; L462-V466 VanDerWaalsContact O-CG2 3.29Å; L462-V466 WeakPolarHBondContact O-CG2 3.46Å; L462-V466 PolarHBondContact O-N 2.89Å; G463-V466 PolarHBondContact O-N 2.98Å; V464-V466 PolarHBondContact O-N 3.5Å; V466-P470 WeakPolarHBondContact O-CD 3.45Å |
| 467 | L | 87 | Confident | 86.3 | Confident | 107 Ų | 107 | 48.1 Ų | 48.1 | 56% | 0.56 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70 | -33.5 | 175.3 | -174.8 | 70.6 | 0 | 0 | 0 | 112.7 | G463 V464 M465 V469 P470 I471 | G463-L467 VanDerWaalsContact O-CB 3.27Å; G463-L467 WeakPolarHBondContact O-CB 3.48Å; G463-L467 PolarHBondContact O-N 2.89Å; V464-L467 PolarHBondContact O-N 3.45Å; M465-L467 VanDerWaalsContact C-N 3.31Å; M465-L467 PolarHBondContact O-N 3.38Å; L467-V469 VanDerWaalsContact C-N 3.33Å; L467-V469 PolarHBondContact O-N 3.25Å; L467-P470 WeakPolarHBondContact O-CD 3.29Å; L467-P470 VanDerWaalsContact O-CG 3.26Å; L467-P470 WeakPolarHBondContact O-CG 3.36Å; L467-I471 HydrophobicContact CG-CD1 4.18Å; L467-I471 WeakPolarHBondContact O-CD1 3.47Å; L467-I471 WeakPolarHBondContact O-CG1 3.34Å |
| 468 | M | 85.1 | Confident | 86.4 | Confident | 28 Ų | 28 | 52 Ų | 52 | 14% | 0.138 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.7 | -29.6 | 177.9 | -74 | -63.5 | 170.9 | 0 | 0 | 112.7 | V464 M465 I471 N472 A561 L564 | V464-M468 HydrophobicContact CG1-CG 4.43Å; V464-M468 VanDerWaalsContact O-CG 3.3Å; V464-M468 WeakPolarHBondContact O-CG 3.14Å; V464-M468 PolarHBondContact O-N 3.41Å; M465-M468 PolarHBondContact O-N 3.32Å; M468-I471 PolarHBondContact O-N 2.97Å; M468-I471 HydrophobicContact SD-CD1 4.3Å; M468-N472 VanDerWaalsContact O-CB 3.32Å; M468-N472 WeakPolarHBondContact O-CB 3.48Å; M468-N472 VanDerWaalsContact O-CG 3.26Å; M468-N472 PolarHBondContact O-N 3Å; M468-N472 PolarHBondContact O-ND2 3.43Å; M468-A561 HydrophobicContact CG-CB 4.38Å; M468-L564 HydrophobicContact CE-CD2 3.51Å |
| 469 | V | 82.6 | Confident | 86.3 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 38% | 0.376 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.6 | -54.6 | 177.3 | 175 | 0 | 0 | 0 | 0 | 113.3 | M465 L467 I471 N472 F473 I601 | M465-V469 PolarHBondContact O-N 3.23Å; L467-V469 VanDerWaalsContact C-N 3.33Å; L467-V469 PolarHBondContact O-N 3.25Å; V469-I471 PolarHBondContact O-N 3.25Å; V469-N472 PolarHBondContact O-N 2.93Å; V469-F473 WeakPolarHBondContact O-CB 3.32Å; V469-F473 PolarHBondContact O-N 3.02Å; V469-I601 HydrophobicContact CG2-CG2 3.87Å |
| 470 | P | 86.4 | Confident | 85.8 | Confident | 74 Ų | 74 | 53 Ų | 53 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.3 | -32.7 | 179 | 26.2 | -34.4 | 0 | 0 | 0 | 112.8 | V466 L467 F473 G474 | V466-P470 WeakPolarHBondContact O-CD 3.45Å; L467-P470 WeakPolarHBondContact O-CD 3.29Å; L467-P470 VanDerWaalsContact O-CG 3.26Å; L467-P470 WeakPolarHBondContact O-CG 3.36Å; P470-F473 PolarHBondContact O-N 3.04Å; P470-G474 PolarHBondContact O-N 2.84Å |
| 471 | I | 88.5 | Confident | 85.8 | Confident | 72 Ų | 72 | 58.7 Ų | 58.7 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.4 | -50.1 | 173.9 | -66.1 | 169.6 | 0 | 0 | 0 | 109.7 | L467 M468 V469 F473 G474 L475 T557 | L467-I471 HydrophobicContact CG-CD1 4.18Å; L467-I471 WeakPolarHBondContact O-CD1 3.47Å; L467-I471 WeakPolarHBondContact O-CG1 3.34Å; M468-I471 PolarHBondContact O-N 2.97Å; M468-I471 HydrophobicContact SD-CD1 4.3Å; V469-I471 PolarHBondContact O-N 3.25Å; I471-F473 VanDerWaalsContact C-N 3.33Å; I471-F473 PolarHBondContact O-N 2.92Å; I471-G474 PolarHBondContact O-N 3.46Å; I471-L475 HydrophobicContact CG2-CD1 4.21Å; I471-L475 WeakPolarHBondContact O-CG 3.19Å; I471-L475 PolarHBondContact O-N 3.16Å; I471-T557 HydrophobicContact CG2-CG2 4.13Å |
| 472 | N | 85.6 | Confident | 85.9 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 177.3 | -73.7 | -15.4 | 0 | 0 | 0 | 112 | M468 V469 L475 S476 T557 | M468-N472 VanDerWaalsContact O-CB 3.32Å; M468-N472 WeakPolarHBondContact O-CB 3.48Å; M468-N472 VanDerWaalsContact O-CG 3.26Å; M468-N472 PolarHBondContact O-N 3Å; M468-N472 PolarHBondContact O-ND2 3.43Å; V469-N472 PolarHBondContact O-N 2.93Å; N472-L475 PolarHBondContact O-N 2.64Å; N472-S476 WeakPolarHBondContact O-CB 3.34Å; N472-S476 PolarHBondContact O-N 3.24Å; N472-S476 PolarHBondContact O-OG 3.38Å; N472-T557 WeakPolarHBondContact OD1-CB 3.46Å; N472-T557 PolarHBondContact OD1-OG1 3.28Å |
| 473 | F | 83.4 | Confident | 85.8 | Confident | 129 Ų | 129 | 60.4 Ų | 60.4 | 57% | 0.566 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 175.3 | -178.4 | -104.1 | 0 | 0 | 0 | 112 | V469 P470 I471 S476 N477 | V469-F473 WeakPolarHBondContact O-CB 3.32Å; V469-F473 PolarHBondContact O-N 3.02Å; P470-F473 PolarHBondContact O-N 3.04Å; I471-F473 VanDerWaalsContact C-N 3.33Å; I471-F473 PolarHBondContact O-N 2.92Å; F473-S476 PolarHBondContact O-N 3.45Å; F473-N477 VanDerWaalsContact CD1-ND2 3.35Å; F473-N477 WeakPolarHBondContact CD1-ND2 3.47Å; F473-N477 WeakPolarHBondContact CE1-ND2 3.48Å; F473-N477 WeakPolarHBondContact CZ-ND2 3.36Å; F473-N477 WeakPolarHBondContact O-CB 3.29Å; F473-N477 VanDerWaalsContact O-CG 3.29Å; F473-N477 PolarHBondContact O-N 3.15Å; F473-N477 PolarHBondContact O-ND2 3.39Å; F473-N477 VanDerWaalsContact O-ND2 3.17Å |
| 474 | G | 86.7 | Confident | 85.6 | Confident | 37 Ų | 37 | 63 Ų | 63 | 38% | 0.381 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P470 I471 N477 M478 | P470-G474 PolarHBondContact O-N 2.84Å; I471-G474 PolarHBondContact O-N 3.46Å; G474-N477 PolarHBondContact O-N 3.05Å; G474-M478 PolarHBondContact O-N 2.97Å; G474-M478 VanDerWaalsContact O-N 3.12Å |
| 475 | L | 88.1 | Confident | 85.8 | Confident | 36 Ų | 36 | 67 Ų | 67 | 19% | 0.188 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 177.1 | -69.2 | 172.6 | 0 | 0 | 0 | 112.2 | I471 N472 N477 M478 E479 Y550 A553 V554 T557 | I471-L475 HydrophobicContact CG2-CD1 4.21Å; I471-L475 WeakPolarHBondContact O-CG 3.19Å; I471-L475 PolarHBondContact O-N 3.16Å; N472-L475 PolarHBondContact O-N 2.64Å; L475-N477 VanDerWaalsContact C-N 3.32Å; L475-N477 PolarHBondContact O-N 3.32Å; L475-M478 WeakPolarHBondContact O-CB 3.47Å; L475-M478 PolarHBondContact O-N 3.07Å; L475-M478 VanDerWaalsContact O-N 3.17Å; L475-E479 PolarHBondContact O-N 3.09Å; L475-Y550 HydrophobicContact CD2-CD1 4.45Å; L475-A553 HydrophobicContact CD1-CB 4.12Å; L475-A553 HydrophobicContact CD2-CB 4.29Å; L475-V554 HydrophobicContact CB-CG2 3.55Å; L475-V554 HydrophobicContact CD1-CG2 4.32Å; L475-T557 HydrophobicContact CD1-CG2 4.1Å |
| 476 | S | 84 | Confident | 86.1 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65 | -35.3 | 178 | -57 | 0 | 0 | 0 | 0 | 111.9 | N472 F473 E479 L480 | N472-S476 WeakPolarHBondContact O-CB 3.34Å; N472-S476 PolarHBondContact O-N 3.24Å; N472-S476 PolarHBondContact O-OG 3.38Å; F473-S476 PolarHBondContact O-N 3.45Å; S476-E479 WeakPolarHBondContact O-CB 3.42Å; S476-E479 PolarHBondContact O-N 3.26Å; S476-L480 WeakPolarHBondContact O-CB 3.41Å; S476-L480 PolarHBondContact O-N 3.16Å |
| 477 | N | 82.9 | Confident | 86.4 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 173.9 | -78.6 | -33.7 | 0 | 0 | 0 | 112.6 | F473 G474 L475 L480 K481 | F473-N477 VanDerWaalsContact CD1-ND2 3.35Å; F473-N477 WeakPolarHBondContact CD1-ND2 3.47Å; F473-N477 WeakPolarHBondContact CE1-ND2 3.48Å; F473-N477 WeakPolarHBondContact CZ-ND2 3.36Å; F473-N477 WeakPolarHBondContact O-CB 3.29Å; F473-N477 VanDerWaalsContact O-CG 3.29Å; F473-N477 PolarHBondContact O-N 3.15Å; F473-N477 PolarHBondContact O-ND2 3.39Å; F473-N477 VanDerWaalsContact O-ND2 3.17Å; G474-N477 PolarHBondContact O-N 3.05Å; L475-N477 VanDerWaalsContact C-N 3.32Å; L475-N477 PolarHBondContact O-N 3.32Å; N477-L480 PolarHBondContact O-N 3.28Å; N477-K481 WeakPolarHBondContact O-CG 3.4Å; N477-K481 PolarHBondContact O-N 2.96Å |
| 478 | M | 89.9 | Confident | 86.5 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 172.3 | -71.5 | -170.6 | 142.2 | 0 | 0 | 111.5 | G474 L475 K481 C482 Y550 | G474-M478 PolarHBondContact O-N 2.97Å; G474-M478 VanDerWaalsContact O-N 3.12Å; L475-M478 WeakPolarHBondContact O-CB 3.47Å; L475-M478 PolarHBondContact O-N 3.07Å; L475-M478 VanDerWaalsContact O-N 3.17Å; M478-K481 PolarHBondContact O-N 3.09Å; M478-C482 PolarHBondContact O-N 3.32Å; M478-C482 VanDerWaalsContact O-N 3.12Å; M478-C482 PolarHBondContact O-SG 3.22Å; M478-Y550 HydrophobicContact CB-CD1 4.06Å; M478-Y550 HydrophobicContact CB-CD2 3.98Å; M478-Y550 HydrophobicContact CB-CE1 4.1Å; M478-Y550 HydrophobicContact CB-CE2 4.03Å; M478-Y550 HydrophobicContact CB-CG 4.01Å; M478-Y550 HydrophobicContact SD-CD1 4.2Å; M478-Y550 HydrophobicContact SD-CE1 3.6Å; M478-Y550 VanDerWaalsContact SD-CE1 3.6Å |
| 479 | E | 86.2 | Confident | 86.8 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.6 | -48.7 | 171.6 | -173.2 | -177 | 169.4 | 0 | 0 | 110.9 | L475 S476 K481 C482 Q483 A547 | L475-E479 PolarHBondContact O-N 3.09Å; S476-E479 WeakPolarHBondContact O-CB 3.42Å; S476-E479 PolarHBondContact O-N 3.26Å; E479-K481 PolarHBondContact O-N 3.29Å; E479-C482 WeakPolarHBondContact O-CB 3.46Å; E479-C482 PolarHBondContact O-N 2.97Å; E479-C482 VanDerWaalsContact O-N 3.15Å; E479-Q483 WeakPolarHBondContact O-CG 3.47Å; E479-Q483 PolarHBondContact O-N 3.33Å; E479-Q483 PolarHBondContact OE1-NE2 2.85Å; E479-A547 HydrophobicContact CG-CB 4.41Å |
| 480 | L | 80.7 | Confident | 87.2 | Confident | 90 Ų | 90 | 61.4 Ų | 61.4 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 178.2 | -177.8 | 64.9 | 0 | 0 | 0 | 112.4 | S476 N477 C482 Q483 V484 | S476-L480 WeakPolarHBondContact O-CB 3.41Å; S476-L480 PolarHBondContact O-N 3.16Å; N477-L480 PolarHBondContact O-N 3.28Å; L480-C482 VanDerWaalsContact C-N 3.31Å; L480-C482 PolarHBondContact O-N 2.86Å; L480-Q483 PolarHBondContact O-N 3.29Å; L480-V484 WeakPolarHBondContact O-CG2 3.17Å; L480-V484 PolarHBondContact O-N 3.46Å |
| 481 | K | 88.3 | Confident | 87.2 | Confident | 149 Ų | 149 | 62.7 Ų | 62.7 | 65% | 0.648 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.6 | -41.9 | 175.4 | -76.7 | 177.7 | -178.1 | -178.3 | 0 | 111.9 | N477 M478 E479 V484 Q485 | N477-K481 WeakPolarHBondContact O-CG 3.4Å; N477-K481 PolarHBondContact O-N 2.96Å; M478-K481 PolarHBondContact O-N 3.09Å; E479-K481 PolarHBondContact O-N 3.29Å; K481-V484 PolarHBondContact O-N 3.3Å; K481-Q485 WeakPolarHBondContact O-CG 3.43Å; K481-Q485 PolarHBondContact O-N 2.91Å |
| 482 | C | 90.4 | Very high | 87.2 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 8% | 0.081 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 175.9 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | M478 E479 L480 Q485 Q486 A547 | M478-C482 PolarHBondContact O-N 3.32Å; M478-C482 VanDerWaalsContact O-N 3.12Å; M478-C482 PolarHBondContact O-SG 3.22Å; E479-C482 WeakPolarHBondContact O-CB 3.46Å; E479-C482 PolarHBondContact O-N 2.97Å; E479-C482 VanDerWaalsContact O-N 3.15Å; L480-C482 VanDerWaalsContact C-N 3.31Å; L480-C482 PolarHBondContact O-N 2.86Å; C482-Q485 PolarHBondContact O-N 3.18Å; C482-Q486 VanDerWaalsContact O-CB 3.3Å; C482-Q486 WeakPolarHBondContact O-CB 3.35Å; C482-Q486 PolarHBondContact O-N 3.36Å; C482-A547 HydrophobicContact CB-CB 3.92Å |
| 483 | Q | 82.9 | Confident | 87.5 | Confident | 64 Ų | 64 | 65.2 Ų | 65.2 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 176.1 | -72.5 | 179.2 | 1.1 | 0 | 0 | 112.1 | E479 L480 Q486 M487 | E479-Q483 WeakPolarHBondContact O-CG 3.47Å; E479-Q483 PolarHBondContact O-N 3.33Å; E479-Q483 PolarHBondContact OE1-NE2 2.85Å; L480-Q483 PolarHBondContact O-N 3.29Å; Q483-Q486 PolarHBondContact O-N 3.49Å; Q483-M487 WeakPolarHBondContact O-CG 3.48Å; Q483-M487 PolarHBondContact O-N 2.91Å |
| 484 | V | 84.7 | Confident | 87.8 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 56% | 0.564 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.2 | -45.4 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | L480 K481 Q486 M487 A488 | L480-V484 WeakPolarHBondContact O-CG2 3.17Å; L480-V484 PolarHBondContact O-N 3.46Å; K481-V484 PolarHBondContact O-N 3.3Å; V484-Q486 VanDerWaalsContact C-N 3.33Å; V484-Q486 PolarHBondContact O-N 3Å; V484-M487 PolarHBondContact O-N 2.88Å; V484-A488 PolarHBondContact O-N 3.34Å; V484-A488 VanDerWaalsContact O-N 3.15Å |
| 485 | Q | 91.2 | Very high | 87.5 | Confident | 104 Ų | 104 | 63.2 Ų | 63.2 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 176.1 | -70.6 | -179.8 | -10.5 | 0 | 0 | 112.1 | K481 C482 A488 L489 M543 | K481-Q485 WeakPolarHBondContact O-CG 3.43Å; K481-Q485 PolarHBondContact O-N 2.91Å; C482-Q485 PolarHBondContact O-N 3.18Å; Q485-A488 PolarHBondContact O-N 3.13Å; Q485-L489 PolarHBondContact O-N 3.38Å; Q485-L489 VanDerWaalsContact O-N 3.16Å; Q485-M543 HydrophobicContact CB-CE 4.44Å; Q485-M543 HydrophobicContact CB-CG 4.39Å |
| 486 | Q | 91.5 | Very high | 87.2 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 174.3 | 177.4 | -90.7 | -37.2 | 0 | 0 | 111.7 | C482 Q483 V484 A488 L489 K490 E540 M543 L544 | C482-Q486 VanDerWaalsContact O-CB 3.3Å; C482-Q486 WeakPolarHBondContact O-CB 3.35Å; C482-Q486 PolarHBondContact O-N 3.36Å; Q483-Q486 PolarHBondContact O-N 3.49Å; V484-Q486 VanDerWaalsContact C-N 3.33Å; V484-Q486 PolarHBondContact O-N 3Å; Q486-A488 PolarHBondContact O-N 3.37Å; Q486-L489 PolarHBondContact O-N 3.35Å; Q486-K490 WeakPolarHBondContact O-CB 3.4Å; Q486-K490 PolarHBondContact O-N 3.4Å; Q486-E540 HydrophobicContact CG-CG 3.95Å; Q486-E540 PolarHBondContact NE2-OE1 3.47Å; Q486-M543 HydrophobicContact CB-CB 4.02Å; Q486-L544 HydrophobicContact CG-CD2 3.82Å; Q486-L544 HydrophobicContact CG-CG 3.91Å |
| 487 | M | 87.3 | Confident | 87.1 | Confident | 72 Ų | 72 | 60.5 Ų | 60.5 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 176.4 | -70.6 | -67.3 | 173.5 | 0 | 0 | 112.1 | Q483 V484 L489 K490 D491 | Q483-M487 WeakPolarHBondContact O-CG 3.48Å; Q483-M487 PolarHBondContact O-N 2.91Å; V484-M487 PolarHBondContact O-N 2.88Å; M487-L489 PolarHBondContact O-N 3.45Å; M487-K490 WeakPolarHBondContact O-CB 3.36Å; M487-K490 PolarHBondContact O-N 3.44Å; M487-K490 HydrophobicContact SD-CD 3.98Å; M487-D491 VanDerWaalsContact O-CG 3.3Å; M487-D491 PolarHBondContact O-N 3.35Å |
| 488 | A | 89.8 | Confident | 86.9 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 51% | 0.512 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | V484 Q485 Q486 K492 | V484-A488 PolarHBondContact O-N 3.34Å; V484-A488 VanDerWaalsContact O-N 3.15Å; Q485-A488 PolarHBondContact O-N 3.13Å; Q486-A488 PolarHBondContact O-N 3.37Å; A488-K492 PolarHBondContact O-N 2.82Å; A488-K492 VanDerWaalsContact O-N 3.13Å |
| 489 | L | 91.8 | Very high | 86 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 175.3 | -70 | 170.5 | 0 | 0 | 0 | 112.2 | Q485 Q486 M487 K492 R493 I536 Q539 E540 M543 | Q485-L489 PolarHBondContact O-N 3.38Å; Q485-L489 VanDerWaalsContact O-N 3.16Å; Q486-L489 PolarHBondContact O-N 3.35Å; M487-L489 PolarHBondContact O-N 3.45Å; L489-K492 PolarHBondContact O-N 3.41Å; L489-R493 PolarHBondContact O-N 3.47Å; L489-I536 WeakPolarHBondContact O-CG2 3.43Å; L489-Q539 HydrophobicContact CD1-CB 3.84Å; L489-Q539 HydrophobicContact CD2-CB 4.27Å; L489-E540 HydrophobicContact CB-CB 4.28Å; L489-M543 HydrophobicContact CD1-CG 4.09Å |
| 490 | K | 90.3 | Very high | 85.6 | Confident | 19 Ų | 19 | 58 Ų | 58 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 174.5 | 176.8 | -176.5 | 169 | -169.1 | 0 | 111.5 | Q486 M487 R493 L494 D1068 | Q486-K490 WeakPolarHBondContact O-CB 3.4Å; Q486-K490 PolarHBondContact O-N 3.4Å; M487-K490 WeakPolarHBondContact O-CB 3.36Å; M487-K490 PolarHBondContact O-N 3.44Å; M487-K490 HydrophobicContact SD-CD 3.98Å; K490-R493 WeakPolarHBondContact O-CB 3.18Å; K490-R493 PolarHBondContact O-N 3.09Å; K490-L494 HydrophobicContact CG-CD1 4.05Å; K490-L494 HydrophobicContact CG-CG 4.5Å; K490-L494 WeakPolarHBondContact O-CG 3.44Å; K490-L494 PolarHBondContact O-N 3.46Å; K490-D1068 IonicContact NZ-OD1 3.07Å; K490-D1068 PolarHBondContact NZ-OD1 3.26Å; K490-D1068 IonicContact NZ-OD2 2.85Å; K490-D1068 PolarHBondContact NZ-OD2 3.04Å |
| 491 | D | 88.1 | Confident | 85.5 | Confident | 101 Ų | 101 | 53.7 Ų | 53.7 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 177.4 | -70.7 | -20 | 0 | 0 | 0 | 111 | M487 R493 L494 K495 | M487-D491 VanDerWaalsContact O-CG 3.3Å; M487-D491 PolarHBondContact O-N 3.35Å; D491-R493 VanDerWaalsContact C-N 3.35Å; D491-R493 PolarHBondContact O-N 2.92Å; D491-L494 PolarHBondContact O-N 3.33Å; D491-K495 WeakPolarHBondContact O-CB 3.47Å; D491-K495 PolarHBondContact O-N 3.17Å |
| 492 | K | 87.4 | Confident | 84.4 | Confident | 134 Ų | 134 | 49.4 Ų | 49.4 | 58% | 0.583 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.7 | -44.2 | 172.8 | -171 | 175.8 | -179.1 | 171.7 | 0 | 112 | A488 L489 M496 I536 | A488-K492 PolarHBondContact O-N 2.82Å; A488-K492 VanDerWaalsContact O-N 3.13Å; L489-K492 PolarHBondContact O-N 3.41Å; K492-M496 WeakPolarHBondContact O-CB 3Å; K492-M496 PolarHBondContact O-N 3.24Å; K492-I536 HydrophobicContact CD-CD1 4.5Å; K492-I536 HydrophobicContact CG-CD1 4.28Å |
| 493 | R | 92.5 | Very high | 83.3 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.1 | -177.7 | 177.6 | 60.7 | 76.1 | 1.9 | 111.9 | L489 K490 D491 M497 L533 I536 E540 H1036 I1063 | L489-R493 PolarHBondContact O-N 3.47Å; K490-R493 WeakPolarHBondContact O-CB 3.18Å; K490-R493 PolarHBondContact O-N 3.09Å; D491-R493 VanDerWaalsContact C-N 3.35Å; D491-R493 PolarHBondContact O-N 2.92Å; R493-M497 WeakPolarHBondContact O-CB 3.26Å; R493-M497 PolarHBondContact O-N 2.91Å; R493-L533 HydrophobicContact CG-CD2 3.99Å; R493-I536 HydrophobicContact CB-CG2 3.88Å; R493-E540 IonicContact CZ-OE2 3.8Å; R493-E540 IonicContact NE-OE2 2.82Å; R493-E540 PolarHBondContact NE-OE2 3.01Å; R493-E540 IonicContact NH2-OE1 2.98Å; R493-E540 IonicContact NH2-OE2 3.31Å; R493-H1036 PolarHBondContact NH1-NE2 2.73Å; R493-I1063 PolarHBondContact NH1-O 3.46Å |
| 494 | L | 88.2 | Confident | 82.6 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.5 | -38 | -177.8 | -71.3 | 174.7 | 0 | 0 | 0 | 112.8 | K490 D491 M497 N498 I1063 G1064 | K490-L494 HydrophobicContact CG-CD1 4.05Å; K490-L494 HydrophobicContact CG-CG 4.5Å; K490-L494 WeakPolarHBondContact O-CG 3.44Å; K490-L494 PolarHBondContact O-N 3.46Å; D491-L494 PolarHBondContact O-N 3.33Å; L494-M497 PolarHBondContact O-N 2.9Å; L494-N498 WeakPolarHBondContact O-CB 3.4Å; L494-N498 PolarHBondContact O-N 2.88Å; L494-I1063 HydrophobicContact CD2-CG2 4.23Å; L494-G1064 VanDerWaalsContact CD2-CA 3.44Å |
| 495 | K | 81.2 | Confident | 81.6 | Confident | 91 Ų | 91 | 44.1 Ų | 44.1 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.2 | -52.4 | 172.9 | -170.4 | -173.6 | 175.7 | -168.7 | 0 | 110.5 | D491 M497 N498 E499 E1403 | D491-K495 WeakPolarHBondContact O-CB 3.47Å; D491-K495 PolarHBondContact O-N 3.17Å; K495-M497 VanDerWaalsContact C-N 3.31Å; K495-M497 PolarHBondContact O-N 3.32Å; K495-N498 WeakPolarHBondContact O-CB 3.5Å; K495-N498 PolarHBondContact O-N 3.34Å; K495-N498 VanDerWaalsContact O-N 3.09Å; K495-E499 WeakPolarHBondContact CE-OE1 3.37Å; K495-E499 WeakPolarHBondContact O-CG 3.43Å; K495-E499 PolarHBondContact O-N 3Å; K495-E1403 IonicContact NZ-OE1 2.72Å |
| 496 | M | 81.9 | Confident | 79.7 | Confident | 25 Ų | 25 | 43.3 Ų | 43.3 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.2 | -37.9 | 176.6 | -175.7 | -175.6 | 161.3 | 0 | 0 | 112.6 | K492 E499 I500 F529 K532 L533 I536 | K492-M496 WeakPolarHBondContact O-CB 3Å; K492-M496 PolarHBondContact O-N 3.24Å; M496-E499 PolarHBondContact O-N 3.1Å; M496-I500 HydrophobicContact CE-CD1 4.22Å; M496-I500 HydrophobicContact CG-CD1 4.28Å; M496-I500 WeakPolarHBondContact O-CD1 3.42Å; M496-I500 VanDerWaalsContact O-CG1 3.3Å; M496-I500 WeakPolarHBondContact O-CG1 3.43Å; M496-I500 PolarHBondContact O-N 2.75Å; M496-F529 HydrophobicContact CE-CD1 3.76Å; M496-K532 HydrophobicContact CE-CB 3.41Å; M496-K532 VanDerWaalsContact CE-CB 3.41Å; M496-K532 HydrophobicContact SD-CB 4.43Å; M496-L533 HydrophobicContact CB-CD2 4.17Å; M496-L533 HydrophobicContact CE-CB 4.46Å; M496-L533 HydrophobicContact CE-CD2 3.99Å; M496-L533 HydrophobicContact CE-CG 3.63Å; M496-L533 HydrophobicContact CG-CD2 3.98Å; M496-L533 HydrophobicContact SD-CD2 3.68Å; M496-L533 HydrophobicContact SD-CG 4.02Å; M496-I536 HydrophobicContact SD-CD1 3.69Å |
| 497 | M | 83.1 | Confident | 77.7 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -40.1 | 174.7 | -171.7 | 69.4 | -156.9 | 0 | 0 | 112.3 | R493 L494 K495 E499 I500 L501 L533 L1040 L1043 I1063 | R493-M497 WeakPolarHBondContact O-CB 3.26Å; R493-M497 PolarHBondContact O-N 2.91Å; L494-M497 PolarHBondContact O-N 2.9Å; K495-M497 VanDerWaalsContact C-N 3.31Å; K495-M497 PolarHBondContact O-N 3.32Å; M497-E499 VanDerWaalsContact C-N 3.3Å; M497-I500 PolarHBondContact O-N 3.4Å; M497-L501 HydrophobicContact CE-CD1 3.87Å; M497-L501 HydrophobicContact CE-CD2 3.58Å; M497-L501 HydrophobicContact CE-CG 3.55Å; M497-L501 HydrophobicContact CG-CD1 4.04Å; M497-L501 HydrophobicContact CG-CG 4.32Å; M497-L501 WeakPolarHBondContact O-CB 3.43Å; M497-L501 VanDerWaalsContact O-CG 3.27Å; M497-L501 WeakPolarHBondContact O-CG 3.45Å; M497-L501 PolarHBondContact O-N 2.92Å; M497-L533 HydrophobicContact SD-CD1 3.93Å; M497-L1040 HydrophobicContact SD-CD1 4.14Å; M497-L1043 HydrophobicContact CE-CD1 4.4Å; M497-I1063 HydrophobicContact CE-CD1 4.26Å; M497-I1063 HydrophobicContact CG-CD1 4.09Å; M497-I1063 HydrophobicContact CG-CG2 3.87Å; M497-I1063 HydrophobicContact SD-CD1 3.77Å |
| 498 | N | 77.6 | Confident | 75.8 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.4 | -40 | 176.6 | -167.2 | 42.5 | 0 | 0 | 0 | 110.8 | L494 K495 L501 N502 | L494-N498 WeakPolarHBondContact O-CB 3.4Å; L494-N498 PolarHBondContact O-N 2.88Å; K495-N498 WeakPolarHBondContact O-CB 3.5Å; K495-N498 PolarHBondContact O-N 3.34Å; K495-N498 VanDerWaalsContact O-N 3.09Å; N498-L501 PolarHBondContact O-N 2.87Å; N498-N502 VanDerWaalsContact O-CB 3.28Å; N498-N502 WeakPolarHBondContact O-CB 3.3Å; N498-N502 VanDerWaalsContact O-CG 3.24Å; N498-N502 PolarHBondContact O-N 3.48Å; N498-N502 PolarHBondContact O-ND2 3.17Å |
| 499 | E | 72.1 | Confident | 73.6 | Confident | 78 Ų | 78 | 43.8 Ų | 43.8 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 172.7 | -69.7 | 165.5 | -168.4 | 0 | 0 | 111.7 | K495 M496 M497 L501 G503 | K495-E499 WeakPolarHBondContact CE-OE1 3.37Å; K495-E499 WeakPolarHBondContact O-CG 3.43Å; K495-E499 PolarHBondContact O-N 3Å; M496-E499 PolarHBondContact O-N 3.1Å; M497-E499 VanDerWaalsContact C-N 3.3Å; E499-L501 PolarHBondContact O-N 2.71Å; E499-G503 PolarHBondContact O-N 3.4Å |
| 500 | I | 77.4 | Confident | 71 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 175.9 | -69.4 | 160.9 | 0 | 0 | 0 | 111.3 | M496 M497 G503 I504 L520 F529 L533 L1044 | M496-I500 HydrophobicContact CE-CD1 4.22Å; M496-I500 HydrophobicContact CG-CD1 4.28Å; M496-I500 WeakPolarHBondContact O-CD1 3.42Å; M496-I500 VanDerWaalsContact O-CG1 3.3Å; M496-I500 WeakPolarHBondContact O-CG1 3.43Å; M496-I500 PolarHBondContact O-N 2.75Å; M497-I500 PolarHBondContact O-N 3.4Å; I500-G503 WeakPolarHBondContact O-CA 3.44Å; I500-G503 PolarHBondContact O-N 3.33Å; I500-I504 HydrophobicContact CG2-CD1 4.05Å; I500-I504 WeakPolarHBondContact O-CG1 3.26Å; I500-I504 PolarHBondContact O-N 2.95Å; I500-L520 HydrophobicContact CG1-CD1 4.45Å; I500-L520 HydrophobicContact CG2-CD1 4.1Å; I500-L520 HydrophobicContact CG2-CD2 4.21Å; I500-F529 HydrophobicContact CD1-CB 3.82Å; I500-F529 HydrophobicContact CD1-CD1 3.75Å; I500-F529 HydrophobicContact CD1-CG 4.04Å; I500-F529 HydrophobicContact CG1-CB 4.34Å; I500-F529 HydrophobicContact CG1-CD1 3.77Å; I500-F529 HydrophobicContact CG1-CE1 4.29Å; I500-F529 HydrophobicContact CG1-CG 4.1Å; I500-L533 HydrophobicContact CD1-CD1 3.6Å; I500-L533 HydrophobicContact CD1-CG 4.16Å; I500-L1044 HydrophobicContact CG2-CD2 4.41Å |
| 501 | L | 77.1 | Confident | 68.5 | Low | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.1 | -41.9 | -177.5 | -74 | 175.6 | 0 | 0 | 0 | 113 | M497 N498 E499 G503 I504 K505 Y1051 L1056 I1059 V1060 | M497-L501 HydrophobicContact CE-CD1 3.87Å; M497-L501 HydrophobicContact CE-CD2 3.58Å; M497-L501 HydrophobicContact CE-CG 3.55Å; M497-L501 HydrophobicContact CG-CD1 4.04Å; M497-L501 HydrophobicContact CG-CG 4.32Å; M497-L501 WeakPolarHBondContact O-CB 3.43Å; M497-L501 VanDerWaalsContact O-CG 3.27Å; M497-L501 WeakPolarHBondContact O-CG 3.45Å; M497-L501 PolarHBondContact O-N 2.92Å; N498-L501 PolarHBondContact O-N 2.87Å; E499-L501 PolarHBondContact O-N 2.71Å; L501-G503 PolarHBondContact O-N 3.14Å; L501-I504 PolarHBondContact O-N 3.18Å; L501-K505 WeakPolarHBondContact O-CB 3.45Å; L501-K505 PolarHBondContact O-N 3.38Å; L501-Y1051 HydrophobicContact CD2-CD1 4.39Å; L501-Y1051 HydrophobicContact CD2-CE1 3.65Å; L501-L1056 HydrophobicContact CB-CD2 4.04Å; L501-I1059 HydrophobicContact CD1-CB 4.11Å; L501-I1059 HydrophobicContact CD1-CG2 3.79Å; L501-I1059 HydrophobicContact CD2-CD1 4.43Å; L501-I1059 HydrophobicContact CD2-CG2 3.85Å; L501-V1060 HydrophobicContact CD1-CG2 3.56Å |
| 502 | N | 66.7 | Low | 66.1 | Low | 59 Ų | 59 | 48.1 Ų | 48.1 | 32% | 0.316 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.6 | -39.4 | 171.6 | -75.5 | -29.4 | 0 | 0 | 0 | 109.9 | N498 K505 Q506 L1056 | N498-N502 VanDerWaalsContact O-CB 3.28Å; N498-N502 WeakPolarHBondContact O-CB 3.3Å; N498-N502 VanDerWaalsContact O-CG 3.24Å; N498-N502 PolarHBondContact O-N 3.48Å; N498-N502 PolarHBondContact O-ND2 3.17Å; N502-K505 PolarHBondContact O-N 3.1Å; N502-Q506 VanDerWaalsContact O-CB 3.31Å; N502-Q506 WeakPolarHBondContact O-CB 3.41Å; N502-Q506 VanDerWaalsContact O-CG 3.3Å; N502-Q506 WeakPolarHBondContact O-CG 3.37Å; N502-Q506 PolarHBondContact O-N 3.49Å; N502-Q506 PolarHBondContact O-OE1 3.16Å; N502-L1056 WeakPolarHBondContact OD1-CD1 3.26Å |
| 503 | G | 65.9 | Low | 63.6 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.5 | -56.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E499 I500 L501 K505 Q506 V518 | E499-G503 PolarHBondContact O-N 3.4Å; I500-G503 WeakPolarHBondContact O-CA 3.44Å; I500-G503 PolarHBondContact O-N 3.33Å; L501-G503 PolarHBondContact O-N 3.14Å; G503-K505 VanDerWaalsContact C-N 3.26Å; G503-K505 PolarHBondContact O-N 3.48Å; G503-Q506 PolarHBondContact O-N 3.2Å; G503-V518 CarbonylContact C-O 3.35Å; G503-V518 VanDerWaalsContact C-O 3.31Å |
| 504 | I | 69.6 | Low | 61 | Low | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57 | -42 | 176.1 | -64.1 | 167.4 | 0 | 0 | 0 | 110.4 | I500 L501 L520 M1048 Y1051 | I500-I504 HydrophobicContact CG2-CD1 4.05Å; I500-I504 WeakPolarHBondContact O-CG1 3.26Å; I500-I504 PolarHBondContact O-N 2.95Å; L501-I504 PolarHBondContact O-N 3.18Å; I504-L520 HydrophobicContact CD1-CD2 4.03Å; I504-L520 HydrophobicContact CG1-CB 4.11Å; I504-L520 HydrophobicContact CG1-CD2 4.05Å; I504-M1048 HydrophobicContact CG2-CE 4.14Å; I504-M1048 HydrophobicContact CG2-SD 3.7Å; I504-M1048 WeakPolarHBondContact O-CE 3.43Å; I504-Y1051 HydrophobicContact CD1-CE1 4.43Å; I504-Y1051 HydrophobicContact CG2-CD1 4.02Å; I504-Y1051 HydrophobicContact CG2-CD2 3.58Å; I504-Y1051 HydrophobicContact CG2-CE1 4.25Å; I504-Y1051 HydrophobicContact CG2-CE2 3.85Å; I504-Y1051 HydrophobicContact CG2-CG 3.67Å |
| 505 | K | 63.2 | Low | 58.5 | Low | 58 Ų | 58 | 53.9 Ų | 53.9 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.2 | -35.9 | -176.7 | -173 | 162.6 | -173.9 | 159.7 | 0 | 114.7 | L501 N502 G503 Q507 I508 L1056 | L501-K505 WeakPolarHBondContact O-CB 3.45Å; L501-K505 PolarHBondContact O-N 3.38Å; N502-K505 PolarHBondContact O-N 3.1Å; G503-K505 VanDerWaalsContact C-N 3.26Å; G503-K505 PolarHBondContact O-N 3.48Å; K505-Q507 PolarHBondContact O-N 3.47Å; K505-I508 WeakPolarHBondContact O-CB 3.42Å; K505-I508 PolarHBondContact O-N 2.88Å; K505-I508 VanDerWaalsContact O-N 3.16Å; K505-L1056 HydrophobicContact CB-CD1 3.81Å; K505-L1056 HydrophobicContact CB-CD2 4.02Å; K505-L1056 HydrophobicContact CB-CG 4.2Å; K505-L1056 HydrophobicContact CD-CD1 3.54Å; K505-L1056 HydrophobicContact CD-CD2 3.83Å; K505-L1056 HydrophobicContact CD-CG 3.39Å; K505-L1056 HydrophobicContact CG-CD1 4.25Å; K505-L1056 HydrophobicContact CG-CG 4.42Å |
| 506 | Q | 50.5 | Low | 56.5 | Low | 87 Ų | 87 | 51.5 Ų | 51.5 | 41% | 0.407 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -27 | -177 | -83.1 | 172.8 | -47.7 | 0 | 0 | 111.9 | N502 G503 I508 T517 | N502-Q506 VanDerWaalsContact O-CB 3.31Å; N502-Q506 WeakPolarHBondContact O-CB 3.41Å; N502-Q506 VanDerWaalsContact O-CG 3.3Å; N502-Q506 WeakPolarHBondContact O-CG 3.37Å; N502-Q506 PolarHBondContact O-N 3.49Å; N502-Q506 PolarHBondContact O-OE1 3.16Å; G503-Q506 PolarHBondContact O-N 3.2Å; Q506-I508 PolarHBondContact O-N 3.34Å; Q506-I508 VanDerWaalsContact O-N 3.09Å; Q506-T517 VanDerWaalsContact CB-O 3.29Å; Q506-T517 WeakPolarHBondContact CB-O 3.32Å; Q506-T517 VanDerWaalsContact CD-OG1 3.26Å; Q506-T517 PolarHBondContact NE2-OG1 3.25Å; Q506-T517 VanDerWaalsContact NE2-OG1 3.13Å; Q506-T517 PolarHBondContact OE1-OG1 3.33Å |
| 507 | Q | 49.3 | Very low | 54.7 | Low | 35 Ų | 35 | 50.9 Ų | 50.9 | 16% | 0.164 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14.5 | 175.6 | -163.2 | -168.9 | -27.3 | 0 | 0 | 114.8 | K505 L522 M1048 | K505-Q507 PolarHBondContact O-N 3.47Å; Q507-L522 HydrophobicContact CG-CD1 4.06Å; Q507-M1048 HydrophobicContact CB-CE 3.53Å; Q507-M1048 HydrophobicContact CG-CE 3.94Å |
| 508 | I | 47.5 | Very low | 53.1 | Low | 26 Ų | 26 | 51.7 Ų | 51.7 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -20.3 | -166.3 | -81.4 | 144.3 | 0 | 0 | 0 | 115.9 | K505 Q506 P510 M1048 E1052 | K505-I508 WeakPolarHBondContact O-CB 3.42Å; K505-I508 PolarHBondContact O-N 2.88Å; K505-I508 VanDerWaalsContact O-N 3.16Å; Q506-I508 PolarHBondContact O-N 3.34Å; Q506-I508 VanDerWaalsContact O-N 3.09Å; I508-P510 WeakPolarHBondContact O-CD 3.43Å; I508-P510 WeakPolarHBondContact O-CG 3.49Å; I508-M1048 HydrophobicContact CD1-CE 3.48Å; I508-M1048 VanDerWaalsContact CD1-CE 3.48Å; I508-M1048 HydrophobicContact CD1-CG 3.62Å; I508-M1048 HydrophobicContact CD1-SD 3.58Å; I508-M1048 VanDerWaalsContact CD1-SD 3.58Å; I508-M1048 HydrophobicContact CG1-CE 3.5Å; I508-M1048 HydrophobicContact CG1-CG 3.58Å; I508-M1048 HydrophobicContact CG1-SD 4.02Å; I508-E1052 HydrophobicContact CB-CG 4.37Å; I508-E1052 HydrophobicContact CD1-CG 3.7Å; I508-E1052 HydrophobicContact CG1-CG 3.84Å; I508-E1052 HydrophobicContact CG2-CB 4.21Å; I508-E1052 HydrophobicContact CG2-CG 3.58Å; I508-E1052 WeakPolarHBondContact CG2-OE1 3.31Å |
| 509 | K | 44 | Very low | 52.1 | Low | 85 Ų | 85 | 49.5 Ų | 49.5 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | trans | -86.1 | 103.1 | -169.4 | -79.1 | -175.8 | 172.6 | 161.3 | 0 | 112.5 | S511 R512 S769 | K509-S511 PolarHBondContact O-N 3.17Å; K509-S511 VanDerWaalsContact O-N 3.11Å; K509-R512 HydrophobicContact CB-CB 4.26Å; K509-R512 HydrophobicContact CB-CG 4.43Å; K509-R512 HydrophobicContact CD-CG 4.17Å; K509-S769 PolarHBondContact NZ-O 3.36Å | ||
| 510 | P | 37.7 | Very low | 51.8 | Low | 75 Ų | 75 | 45.8 Ų | 45.8 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 10.7 | -174.3 | -2.1 | 24.4 | 0 | 0 | 0 | 113 | I508 | I508-P510 WeakPolarHBondContact O-CD 3.43Å; I508-P510 WeakPolarHBondContact O-CG 3.49Å |
| 511 | S | 37 | Very low | 51.6 | Low | 83 Ų | 83 | 45.7 Ų | 45.7 | 58% | 0.58 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -144 | 23.9 | -175.9 | -50.8 | 0 | 0 | 0 | 0 | 113 | K509 | K509-S511 PolarHBondContact O-N 3.17Å; K509-S511 VanDerWaalsContact O-N 3.11Å |
| 512 | R | 38.5 | Very low | 51.3 | Low | 83 Ų | 83 | 46.8 Ų | 46.8 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -122.4 | 112.6 | 171.5 | -75.7 | -161.2 | -172.2 | 172.9 | -1 | 111.2 | K509 H514 S769 N770 L771 | K509-R512 HydrophobicContact CB-CB 4.26Å; K509-R512 HydrophobicContact CB-CG 4.43Å; K509-R512 HydrophobicContact CD-CG 4.17Å; R512-H514 PolarHBondContact O-N 2.95Å; R512-H514 VanDerWaalsContact O-N 3.16Å; R512-S769 VanDerWaalsContact CZ-O 3.31Å; R512-S769 PolarHBondContact NH1-O 3.23Å; R512-S769 PolarHBondContact NH2-O 2.97Å; R512-N770 PolarHBondContact NH2-O 2.75Å; R512-L771 PolarHBondContact NE-O 3.2Å; R512-L771 PolarHBondContact NH2-O 2.87Å |
| 513 | R | 35.1 | Very low | 51.3 | Low | 145 Ų | 145 | 44.1 Ų | 44.1 | 55% | 0.547 | 22% | 0.218 | S | C | . | . | trans | -30.9 | 111.8 | 165.7 | -73.6 | -179.4 | -174.4 | 153 | 5.4 | 112.7 | D515 A800 D802 | R513-D515 PolarHBondContact O-N 3.26Å; R513-A800 PolarHBondContact NH1-O 3.18Å; R513-D802 IonicContact CZ-OD1 3.52Å; R513-D802 IonicContact NH2-OD1 2.65Å; R513-D802 PolarHBondContact NH2-OD1 3.01Å; R513-D802 IonicContact NH2-OD2 3.49Å | ||
| 514 | H | 38.4 | Very low | 51.8 | Low | 42 Ų | 42 | 44.8 Ų | 44.8 | 19% | 0.194 | 22% | 0.224 | C | C | . | . | trans | 33 | 65.9 | 141.1 | -50.1 | -60.4 | 0 | 0 | 0 | 119.7 | R512 E1436 A1439 A1440 | R512-H514 PolarHBondContact O-N 2.95Å; R512-H514 VanDerWaalsContact O-N 3.16Å; H514-E1436 WeakPolarHBondContact CE1-CB 3.39Å; H514-E1436 IonicContact CE1-OE2 3.5Å; H514-E1436 PolarHBondContact CE1-OE2 3.3Å; H514-E1436 IonicContact NE2-OE2 3.95Å; H514-E1436 PolarHBondContact NE2-OE2 3.15Å; H514-E1436 VanDerWaalsContact NE2-OE2 3.14Å; H514-A1439 VanDerWaalsContact CD2-CB 3.42Å; H514-A1439 WeakPolarHBondContact CD2-CB 3.24Å; H514-A1439 WeakPolarHBondContact NE2-CB 3.47Å; H514-A1440 HydrophobicContact CB-CB 3.73Å | ||
| 515 | D | 35.3 | Very low | 52.1 | Low | 103 Ų | 103 | 45.1 Ų | 45.1 | 55% | 0.551 | 23% | 0.225 | S | C | * | . | trans | -106.8 | 99.6 | 144.6 | -85.5 | -46 | 0 | 0 | 0 | 107.5 | R513 T517 R1416 | R513-D515 PolarHBondContact O-N 3.26Å; D515-T517 PolarHBondContact O-N 2.8Å; D515-T517 PolarHBondContact O-OG1 3.1Å; D515-T517 VanDerWaalsContact O-OG1 3.09Å; D515-R1416 IonicContact OD1-NH1 2.8Å; D515-R1416 PolarHBondContact OD1-NH1 2.76Å | ||
| 516 | L | 39.2 | Very low | 53 | Low | 42 Ų | 42 | 42.4 Ų | 42.4 | 22% | 0.22 | 21% | 0.213 | C | C | . | . | trans | -72.1 | 74 | -174.3 | -153.4 | 110.9 | 0 | 0 | 0 | 110.5 | L1360 F1362 Q1417 C1420 | L516-L1360 HydrophobicContact CD2-CD2 3.94Å; L516-F1362 WeakPolarHBondContact O-CE2 3.31Å; L516-Q1417 HydrophobicContact CD1-CG 4.5Å; L516-Q1417 HydrophobicContact CD2-CG 4.34Å; L516-C1420 HydrophobicContact CD2-CB 3.99Å; L516-C1420 WeakPolarHBondContact CD2-SG 3.4Å | ||
| 517 | T | 43.4 | Very low | 54.7 | Low | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | trans | -126.8 | 101.9 | 179 | 18.8 | 0 | 0 | 0 | 0 | 107.4 | Q506 D515 F1362 | Q506-T517 VanDerWaalsContact CB-O 3.29Å; Q506-T517 WeakPolarHBondContact CB-O 3.32Å; Q506-T517 VanDerWaalsContact CD-OG1 3.26Å; Q506-T517 PolarHBondContact NE2-OG1 3.25Å; Q506-T517 VanDerWaalsContact NE2-OG1 3.13Å; Q506-T517 PolarHBondContact OE1-OG1 3.33Å; D515-T517 PolarHBondContact O-N 2.8Å; D515-T517 PolarHBondContact O-OG1 3.1Å; D515-T517 VanDerWaalsContact O-OG1 3.09Å; T517-F1362 HydrophobicContact CG2-CD2 4.26Å; T517-F1362 HydrophobicContact CG2-CE2 3.75Å; T517-F1362 HydrophobicContact CG2-CZ 3.9Å | ||
| 518 | V | 50.5 | Low | 56.2 | Low | 19 Ų | 19 | 39.4 Ų | 39.4 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | 115.2 | 91.1 | 95 | 169.7 | 0 | 0 | 0 | 0 | 107.9 | G503 F1361 F1362 | G503-V518 CarbonylContact C-O 3.35Å; G503-V518 VanDerWaalsContact C-O 3.31Å; V518-F1361 HydrophobicContact CB-CD2 4.2Å; V518-F1361 HydrophobicContact CB-CE2 3.9Å; V518-F1361 HydrophobicContact CB-CZ 4.16Å; V518-F1361 HydrophobicContact CG1-CD1 3.6Å; V518-F1361 HydrophobicContact CG1-CD2 3.54Å; V518-F1361 HydrophobicContact CG1-CE1 3.16Å; V518-F1361 HydrophobicContact CG1-CE2 2.96Å; V518-F1361 HydrophobicContact CG1-CG 3.78Å; V518-F1361 HydrophobicContact CG1-CZ 2.84Å; V518-F1361 VanDerWaalsContact O-CE2 3.28Å; V518-F1361 WeakPolarHBondContact O-CE2 3.3Å; V518-F1362 HydrophobicContact CG2-CB 4.03Å; V518-F1362 HydrophobicContact CG2-CD2 3.17Å; V518-F1362 HydrophobicContact CG2-CE2 3.72Å; V518-F1362 HydrophobicContact CG2-CG 3.83Å | |||
| 519 | A | 55.6 | Low | 57.8 | Low | 7 Ų | 7 | 38.7 Ų | 38.7 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | trans | -102.2 | 71 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K521 L522 H523 L1360 F1361 | A519-K521 PolarHBondContact O-N 3.01Å; A519-L522 HydrophobicContact CB-CB 3.87Å; A519-L522 HydrophobicContact CB-CD1 3.38Å; A519-L522 HydrophobicContact CB-CG 4.07Å; A519-L522 PolarHBondContact O-N 3.4Å; A519-H523 WeakPolarHBondContact CB-NE2 3.23Å; A519-H523 PolarHBondContact O-CD2 2.98Å; A519-H523 PolarHBondContact O-N 2.93Å; A519-H523 PolarHBondContact O-NE2 3.22Å; A519-L1360 HydrophobicContact CB-CB 4.09Å; A519-L1360 WeakPolarHBondContact CB-O 3.43Å; A519-L1360 PolarHBondContact N-O 3.32Å; A519-F1361 VanDerWaalsContact C-CE2 3.4Å | ||
| 520 | L | 66.5 | Low | 59.9 | Low | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -46.8 | -159.8 | -169.5 | 108.6 | 0 | 0 | 0 | 109.3 | I500 I504 A524 W525 E526 F529 L1044 F1361 | I500-L520 HydrophobicContact CG1-CD1 4.45Å; I500-L520 HydrophobicContact CG2-CD1 4.1Å; I500-L520 HydrophobicContact CG2-CD2 4.21Å; I504-L520 HydrophobicContact CD1-CD2 4.03Å; I504-L520 HydrophobicContact CG1-CB 4.11Å; I504-L520 HydrophobicContact CG1-CD2 4.05Å; L520-A524 PolarHBondContact O-N 3.25Å; L520-W525 PolarHBondContact O-N 3.33Å; L520-E526 HydrophobicContact CD2-CB 4.43Å; L520-E526 HydrophobicContact CD2-CG 3.73Å; L520-F529 HydrophobicContact CD1-CD2 3.36Å; L520-F529 HydrophobicContact CD1-CE2 3.59Å; L520-F529 HydrophobicContact CD1-CG 4.04Å; L520-F529 HydrophobicContact CD1-CZ 4.42Å; L520-F529 HydrophobicContact CG-CD2 4.43Å; L520-L1044 HydrophobicContact CD2-CD2 4.24Å; L520-F1361 HydrophobicContact CB-CD2 4.17Å; L520-F1361 HydrophobicContact CB-CE2 3.26Å; L520-F1361 HydrophobicContact CB-CZ 3.43Å; L520-F1361 VanDerWaalsContact CB-CZ 3.43Å; L520-F1361 HydrophobicContact CD1-CE1 3.67Å; L520-F1361 HydrophobicContact CD1-CE2 3.94Å; L520-F1361 HydrophobicContact CD1-CZ 3.28Å; L520-F1361 HydrophobicContact CG-CE2 4.13Å; L520-F1361 HydrophobicContact CG-CZ 3.93Å; L520-F1361 VanDerWaalsContact N-CD2 3.35Å |
| 521 | K | 73.5 | Confident | 62.4 | Low | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -67.4 | -43.1 | 178 | -68.6 | -162.1 | 159.1 | -142.9 | 0 | 111 | A519 H523 A524 E526 V1046 M1048 E1262 R1355 | A519-K521 PolarHBondContact O-N 3.01Å; K521-H523 PolarHBondContact O-N 2.86Å; K521-H523 VanDerWaalsContact O-N 3.11Å; K521-A524 PolarHBondContact O-N 3.47Å; K521-E526 WeakPolarHBondContact CA-OE1 3.35Å; K521-V1046 PolarHBondContact NZ-O 2.96Å; K521-M1048 HydrophobicContact CD-SD 4.4Å; K521-E1262 IonicContact NZ-OE2 2.77Å; K521-E1262 PolarHBondContact NZ-OE2 3.31Å; K521-R1355 WeakPolarHBondContact O-CD 3.06Å |
| 522 | L | 69.8 | Low | 64.7 | Low | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.115 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -59.4 | -23.1 | -178.2 | -69.8 | 166.9 | 0 | 0 | 0 | 113.4 | Q507 A519 F1329 I1331 R1355 | Q507-L522 HydrophobicContact CG-CD1 4.06Å; A519-L522 HydrophobicContact CB-CB 3.87Å; A519-L522 HydrophobicContact CB-CD1 3.38Å; A519-L522 HydrophobicContact CB-CG 4.07Å; A519-L522 PolarHBondContact O-N 3.4Å; L522-F1329 HydrophobicContact CB-CD1 4.46Å; L522-F1329 HydrophobicContact CB-CE1 4.38Å; L522-F1329 HydrophobicContact CD2-CB 3.57Å; L522-F1329 HydrophobicContact CD2-CD1 3.42Å; L522-F1329 VanDerWaalsContact CD2-CD1 3.42Å; L522-F1329 HydrophobicContact CD2-CD2 3.34Å; L522-F1329 HydrophobicContact CD2-CE1 3.75Å; L522-F1329 HydrophobicContact CD2-CE2 3.79Å; L522-F1329 HydrophobicContact CD2-CG 3.17Å; L522-F1329 HydrophobicContact CD2-CZ 3.96Å; L522-I1331 HydrophobicContact CD2-CD1 3.36Å; L522-I1331 HydrophobicContact CD2-CG1 4.4Å; L522-I1331 HydrophobicContact CG-CD1 3.86Å; L522-R1355 WeakPolarHBondContact O-CB 3.38Å |
| 523 | H | 68 | Low | 67.2 | Low | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -109.8 | 0.9 | -178 | -53.8 | -33.8 | 0 | 0 | 0 | 114.8 | A519 K521 W525 I1358 M1359 L1360 R1427 | A519-H523 WeakPolarHBondContact CB-NE2 3.23Å; A519-H523 PolarHBondContact O-CD2 2.98Å; A519-H523 PolarHBondContact O-N 2.93Å; A519-H523 PolarHBondContact O-NE2 3.22Å; K521-H523 PolarHBondContact O-N 2.86Å; K521-H523 VanDerWaalsContact O-N 3.11Å; H523-W525 VanDerWaalsContact C-N 3.31Å; H523-W525 HydrophobicContact CB-CD2 3.79Å; H523-W525 HydrophobicContact CB-CG 3.91Å; H523-W525 HydrophobicContact CB-CZ2 4.18Å; H523-W525 VanDerWaalsContact O-CD1 3.24Å; H523-W525 PolarHBondContact O-N 3.46Å; H523-I1358 VanDerWaalsContact ND1-C 3.34Å; H523-I1358 PolarHBondContact ND1-O 3.18Å; H523-M1359 WeakPolarHBondContact CE1-CA 3.24Å; H523-M1359 PolarHBondContact CE1-N 3.34Å; H523-M1359 PolarHBondContact CE1-O 3.14Å; H523-M1359 VanDerWaalsContact ND1-C 3.29Å; H523-M1359 WeakPolarHBondContact ND1-CA 3.14Å; H523-M1359 PolarHBondContact ND1-N 3.33Å; H523-L1360 VanDerWaalsContact CD2-CA 3.48Å; H523-L1360 WeakPolarHBondContact CD2-CA 3.32Å; H523-L1360 PolarHBondContact CD2-N 2.91Å; H523-L1360 PolarHBondContact CD2-O 2.9Å; H523-L1360 PolarHBondContact CE1-N 3.5Å; H523-L1360 PolarHBondContact ND1-N 3.21Å; H523-L1360 WeakPolarHBondContact NE2-CA 3.34Å; H523-L1360 WeakPolarHBondContact NE2-CB 3.27Å; H523-L1360 PolarHBondContact NE2-N 3.15Å; H523-L1360 PolarHBondContact NE2-O 3.35Å; H523-R1427 PolarHBondContact O-NH2 3.23Å |
| 524 | A | 75.2 | Confident | 69.9 | Low | 14 Ų | 14 | 30.3 Ų | 30.3 | 12% | 0.116 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 37.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L520 K521 E526 P527 H1352 R1355 | L520-A524 PolarHBondContact O-N 3.25Å; K521-A524 PolarHBondContact O-N 3.47Å; A524-E526 WeakPolarHBondContact CA-OE2 3.39Å; A524-P527 WeakPolarHBondContact O-CD 3.34Å; A524-H1352 HydrophobicContact CB-CB 3.9Å; A524-R1355 HydrophobicContact CB-CB 4.22Å |
| 525 | W | 76.6 | Confident | 72.5 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | trans | -88 | -1.5 | -177.7 | -69.8 | -7.5 | 0 | 0 | 0 | 114 | L520 H523 P527 A528 F529 M1359 F1361 P1371 R1427 | L520-W525 PolarHBondContact O-N 3.33Å; H523-W525 VanDerWaalsContact C-N 3.31Å; H523-W525 HydrophobicContact CB-CD2 3.79Å; H523-W525 HydrophobicContact CB-CG 3.91Å; H523-W525 HydrophobicContact CB-CZ2 4.18Å; H523-W525 VanDerWaalsContact O-CD1 3.24Å; H523-W525 PolarHBondContact O-N 3.46Å; W525-P527 VanDerWaalsContact C-CD 3.42Å; W525-P527 VanDerWaalsContact C-N 3.33Å; W525-A528 PolarHBondContact O-N 3.03Å; W525-A528 VanDerWaalsContact O-N 3.11Å; W525-F529 HydrophobicContact CB-CD2 4.14Å; W525-F529 HydrophobicContact CB-CE2 4.14Å; W525-F529 WeakPolarHBondContact O-CD2 3.31Å; W525-F529 PolarHBondContact O-N 2.83Å; W525-M1359 HydrophobicContact CH2-CE 4.02Å; W525-M1359 HydrophobicContact CZ2-CE 3.78Å; W525-M1359 HydrophobicContact CZ2-CG 4.2Å; W525-F1361 HydrophobicContact CD2-CB 4.42Å; W525-F1361 HydrophobicContact CE3-CB 3.11Å; W525-F1361 AromaticContact CE3-CG 3.95Å; W525-F1361 HydrophobicContact CE3-CG 3.95Å; W525-F1361 HydrophobicContact CH2-CB 4.08Å; W525-F1361 HydrophobicContact CZ3-CB 2.92Å; W525-F1361 HydrophobicContact CZ3-CG 4.17Å; W525-P1371 HydrophobicContact CD2-CG 3.54Å; W525-P1371 HydrophobicContact CE3-CB 4.28Å; W525-P1371 HydrophobicContact CE3-CG 3.16Å; W525-P1371 HydrophobicContact CG-CG 4.42Å; W525-P1371 VanDerWaalsContact CH2-CD 3.43Å; W525-P1371 HydrophobicContact CH2-CG 3.41Å; W525-P1371 VanDerWaalsContact CH2-CG 3.41Å; W525-P1371 HydrophobicContact CZ2-CG 3.74Å; W525-P1371 HydrophobicContact CZ3-CB 4.42Å; W525-P1371 HydrophobicContact CZ3-CG 3.03Å; W525-R1427 VanDerWaalsContact NE1-NH2 3.18Å | ||
| 526 | E | 82.5 | Confident | 75.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -45.8 | -48.1 | 175.6 | -60.3 | 88.2 | 143.6 | 0 | 0 | 113 | L520 K521 A524 A528 F529 E530 L1044 W1265 H1352 | L520-E526 HydrophobicContact CD2-CB 4.43Å; L520-E526 HydrophobicContact CD2-CG 3.73Å; K521-E526 WeakPolarHBondContact CA-OE1 3.35Å; A524-E526 WeakPolarHBondContact CA-OE2 3.39Å; E526-A528 PolarHBondContact O-N 3.16Å; E526-F529 PolarHBondContact O-N 3.17Å; E526-E530 WeakPolarHBondContact O-CB 3.4Å; E526-E530 PolarHBondContact O-N 3.3Å; E526-L1044 HydrophobicContact CB-CB 4.35Å; E526-L1044 HydrophobicContact CB-CD2 4.45Å; E526-L1044 HydrophobicContact CG-CB 4.43Å; E526-L1044 HydrophobicContact CG-CD2 4.48Å; E526-W1265 HydrophobicContact CB-CH2 4.45Å; E526-W1265 HydrophobicContact CB-CZ2 3.94Å; E526-W1265 HydrophobicContact CG-CZ2 4.45Å; E526-H1352 IonicContact OE2-NE2 3.78Å |
| 527 | P | 84.4 | Confident | 77.9 | Confident | 37 Ų | 37 | 27.4 Ų | 27.4 | 24% | 0.24 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.1 | -32 | -176.7 | -20.5 | 35.3 | 0 | 0 | 0 | 113.8 | A524 W525 K531 W1265 H1352 | A524-P527 WeakPolarHBondContact O-CD 3.34Å; W525-P527 VanDerWaalsContact C-CD 3.42Å; W525-P527 VanDerWaalsContact C-N 3.33Å; P527-K531 WeakPolarHBondContact O-CB 3.47Å; P527-K531 VanDerWaalsContact O-CG 3.32Å; P527-K531 WeakPolarHBondContact O-CG 3.44Å; P527-K531 PolarHBondContact O-N 3.35Å; P527-W1265 HydrophobicContact CG-CZ3 4.32Å; P527-H1352 VanDerWaalsContact CG-CE1 3.44Å; P527-H1352 WeakPolarHBondContact CG-CE1 3.33Å |
| 528 | A | 81.1 | Confident | 80.4 | Confident | 23 Ų | 23 | 33 Ų | 33 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.7 | -46.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | W525 E526 K531 K532 | W525-A528 PolarHBondContact O-N 3.03Å; W525-A528 VanDerWaalsContact O-N 3.11Å; E526-A528 PolarHBondContact O-N 3.16Å; A528-K531 PolarHBondContact O-N 3.26Å; A528-K532 PolarHBondContact O-N 3.49Å |
| 529 | F | 81.9 | Confident | 82.5 | Confident | 11 Ų | 11 | 36 Ų | 36 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.3 | -37.2 | 174.8 | -76.7 | -77.4 | 0 | 0 | 0 | 112.5 | M496 I500 L520 W525 E526 K531 K532 L533 F1361 | M496-F529 HydrophobicContact CE-CD1 3.76Å; I500-F529 HydrophobicContact CD1-CB 3.82Å; I500-F529 HydrophobicContact CD1-CD1 3.75Å; I500-F529 HydrophobicContact CD1-CG 4.04Å; I500-F529 HydrophobicContact CG1-CB 4.34Å; I500-F529 HydrophobicContact CG1-CD1 3.77Å; I500-F529 HydrophobicContact CG1-CE1 4.29Å; I500-F529 HydrophobicContact CG1-CG 4.1Å; L520-F529 HydrophobicContact CD1-CD2 3.36Å; L520-F529 HydrophobicContact CD1-CE2 3.59Å; L520-F529 HydrophobicContact CD1-CG 4.04Å; L520-F529 HydrophobicContact CD1-CZ 4.42Å; L520-F529 HydrophobicContact CG-CD2 4.43Å; W525-F529 HydrophobicContact CB-CD2 4.14Å; W525-F529 HydrophobicContact CB-CE2 4.14Å; W525-F529 WeakPolarHBondContact O-CD2 3.31Å; W525-F529 PolarHBondContact O-N 2.83Å; E526-F529 PolarHBondContact O-N 3.17Å; F529-K531 VanDerWaalsContact C-N 3.35Å; F529-K531 PolarHBondContact O-N 2.98Å; F529-K532 PolarHBondContact O-N 3.02Å; F529-L533 WeakPolarHBondContact O-CB 3.3Å; F529-L533 WeakPolarHBondContact O-CG 3.45Å; F529-L533 PolarHBondContact O-N 3.29Å; F529-F1361 HydrophobicContact CE2-CD1 4.02Å; F529-F1361 HydrophobicContact CE2-CE1 4.03Å; F529-F1361 AromaticContact CZ-CD1 3.86Å; F529-F1361 HydrophobicContact CZ-CD1 3.86Å; F529-F1361 AromaticContact CZ-CE1 3.9Å; F529-F1361 HydrophobicContact CZ-CE1 3.9Å |
| 530 | E | 88.7 | Confident | 84.4 | Confident | 32 Ų | 32 | 35.7 Ų | 35.7 | 15% | 0.15 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 173.6 | -170.2 | 175.8 | -171.7 | 0 | 0 | 111.5 | E526 T534 L1040 H1041 L1044 | E526-E530 WeakPolarHBondContact O-CB 3.4Å; E526-E530 PolarHBondContact O-N 3.3Å; E530-T534 VanDerWaalsContact O-CB 3.23Å; E530-T534 WeakPolarHBondContact O-CB 3.31Å; E530-T534 PolarHBondContact O-N 3.19Å; E530-T534 PolarHBondContact O-OG1 2.89Å; E530-L1040 HydrophobicContact CG-CD2 4.17Å; E530-L1040 HydrophobicContact CG-CG 4.45Å; E530-H1041 IonicContact OE1-CG 2.87Å; E530-H1041 IonicContact OE1-ND1 2.82Å; E530-H1041 PolarHBondContact OE1-ND1 3.16Å; E530-H1041 IonicContact OE2-ND1 2.78Å; E530-L1044 HydrophobicContact CB-CD1 3.64Å; E530-L1044 HydrophobicContact CG-CD1 3.96Å |
| 531 | K | 89.1 | Confident | 85.7 | Confident | 159 Ų | 159 | 36 Ų | 36 | 69% | 0.691 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -63 | -47.1 | 175.8 | -76.2 | 175.7 | -177.2 | 178 | 0 | 111.8 | P527 A528 F529 T534 H535 | P527-K531 WeakPolarHBondContact O-CB 3.47Å; P527-K531 VanDerWaalsContact O-CG 3.32Å; P527-K531 WeakPolarHBondContact O-CG 3.44Å; P527-K531 PolarHBondContact O-N 3.35Å; A528-K531 PolarHBondContact O-N 3.26Å; F529-K531 VanDerWaalsContact C-N 3.35Å; F529-K531 PolarHBondContact O-N 2.98Å; K531-T534 PolarHBondContact O-N 3.15Å; K531-H535 PolarHBondContact O-N 3.14Å |
| 532 | K | 86.1 | Confident | 86.7 | Confident | 59 Ų | 59 | 40.5 Ų | 40.5 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 178.3 | -76.1 | -179.5 | 173.8 | 176.5 | 0 | 111.3 | M496 A528 F529 T534 H535 I536 M1367 P1371 E1373 | M496-K532 HydrophobicContact CE-CB 3.41Å; M496-K532 VanDerWaalsContact CE-CB 3.41Å; M496-K532 HydrophobicContact SD-CB 4.43Å; A528-K532 PolarHBondContact O-N 3.49Å; F529-K532 PolarHBondContact O-N 3.02Å; K532-T534 PolarHBondContact O-N 3.02Å; K532-H535 WeakPolarHBondContact O-CB 3.47Å; K532-H535 PolarHBondContact O-N 3.45Å; K532-I536 PolarHBondContact O-N 3.33Å; K532-I536 VanDerWaalsContact O-N 3.17Å; K532-M1367 HydrophobicContact CD-SD 4.37Å; K532-M1367 PolarHBondContact NZ-SD 3.3Å; K532-M1367 VanDerWaalsContact NZ-SD 3.4Å; K532-P1371 PolarHBondContact NZ-O 2.93Å; K532-E1373 IonicContact NZ-OE1 3.34Å; K532-E1373 PolarHBondContact NZ-OE1 3.41Å |
| 533 | L | 90.4 | Very high | 87.8 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 175.4 | -77.9 | 172.7 | 0 | 0 | 0 | 112.4 | R493 M496 M497 I500 F529 H535 I536 R537 L1040 | R493-L533 HydrophobicContact CG-CD2 3.99Å; M496-L533 HydrophobicContact CB-CD2 4.17Å; M496-L533 HydrophobicContact CE-CB 4.46Å; M496-L533 HydrophobicContact CE-CD2 3.99Å; M496-L533 HydrophobicContact CE-CG 3.63Å; M496-L533 HydrophobicContact CG-CD2 3.98Å; M496-L533 HydrophobicContact SD-CD2 3.68Å; M496-L533 HydrophobicContact SD-CG 4.02Å; M497-L533 HydrophobicContact SD-CD1 3.93Å; I500-L533 HydrophobicContact CD1-CD1 3.6Å; I500-L533 HydrophobicContact CD1-CG 4.16Å; F529-L533 WeakPolarHBondContact O-CB 3.3Å; F529-L533 WeakPolarHBondContact O-CG 3.45Å; F529-L533 PolarHBondContact O-N 3.29Å; L533-H535 VanDerWaalsContact C-N 3.29Å; L533-H535 PolarHBondContact O-N 2.78Å; L533-I536 PolarHBondContact O-N 3.17Å; L533-R537 WeakPolarHBondContact O-CB 3.26Å; L533-R537 PolarHBondContact O-N 3.01Å; L533-L1040 HydrophobicContact CB-CD2 3.9Å; L533-L1040 HydrophobicContact CD1-CD1 3.6Å; L533-L1040 HydrophobicContact CD1-CD2 4.08Å; L533-L1040 HydrophobicContact CD1-CG 4.5Å |
| 534 | T | 91.9 | Very high | 89 | Confident | 41 Ų | 41 | 41.5 Ų | 41.5 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.7 | -33.8 | 177.9 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | E530 K531 K532 R537 K538 | E530-T534 VanDerWaalsContact O-CB 3.23Å; E530-T534 WeakPolarHBondContact O-CB 3.31Å; E530-T534 PolarHBondContact O-N 3.19Å; E530-T534 PolarHBondContact O-OG1 2.89Å; K531-T534 PolarHBondContact O-N 3.15Å; K532-T534 PolarHBondContact O-N 3.02Å; T534-R537 PolarHBondContact O-N 3.36Å; T534-K538 WeakPolarHBondContact O-CG 2.98Å; T534-K538 PolarHBondContact O-N 2.93Å |
| 535 | H | 93 | Very high | 89.8 | Confident | 108 Ų | 108 | 46.2 Ų | 46.2 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.5 | -48.8 | 173.7 | -174.9 | 88.7 | 0 | 0 | 0 | 111.5 | K531 K532 L533 R537 K538 Q539 | K531-H535 PolarHBondContact O-N 3.14Å; K532-H535 WeakPolarHBondContact O-CB 3.47Å; K532-H535 PolarHBondContact O-N 3.45Å; L533-H535 VanDerWaalsContact C-N 3.29Å; L533-H535 PolarHBondContact O-N 2.78Å; H535-R537 VanDerWaalsContact C-N 3.31Å; H535-R537 PolarHBondContact O-N 3.41Å; H535-K538 WeakPolarHBondContact O-CB 3.45Å; H535-K538 PolarHBondContact O-N 3.39Å; H535-Q539 PolarHBondContact NE2-NE2 2.91Å; H535-Q539 PolarHBondContact O-N 2.87Å |
| 536 | I | 92.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.2 | -60.7 | 168.5 | 0 | 0 | 0 | 110.2 | L489 K492 R493 M496 K532 L533 K538 Q539 E540 | L489-I536 WeakPolarHBondContact O-CG2 3.43Å; K492-I536 HydrophobicContact CD-CD1 4.5Å; K492-I536 HydrophobicContact CG-CD1 4.28Å; R493-I536 HydrophobicContact CB-CG2 3.88Å; M496-I536 HydrophobicContact SD-CD1 3.69Å; K532-I536 PolarHBondContact O-N 3.33Å; K532-I536 VanDerWaalsContact O-N 3.17Å; L533-I536 PolarHBondContact O-N 3.17Å; I536-K538 VanDerWaalsContact C-N 3.31Å; I536-K538 PolarHBondContact O-N 3.02Å; I536-Q539 WeakPolarHBondContact O-CB 3.32Å; I536-Q539 PolarHBondContact O-N 2.9Å; I536-Q539 VanDerWaalsContact O-N 3.15Å; I536-E540 PolarHBondContact O-N 3.47Å |
| 537 | R | 95.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -34.5 | 177.9 | -174.7 | 59.1 | 176.2 | 175.3 | 2 | 112.8 | L533 T534 H535 Q539 E540 L541 S1032 D1071 | L533-R537 WeakPolarHBondContact O-CB 3.26Å; L533-R537 PolarHBondContact O-N 3.01Å; T534-R537 PolarHBondContact O-N 3.36Å; H535-R537 VanDerWaalsContact C-N 3.31Å; H535-R537 PolarHBondContact O-N 3.41Å; R537-Q539 VanDerWaalsContact C-N 3.35Å; R537-E540 WeakPolarHBondContact CD-OE2 3.45Å; R537-E540 IonicContact CZ-OE2 2.77Å; R537-E540 IonicContact NE-OE2 3.71Å; R537-E540 IonicContact NH1-OE1 2.7Å; R537-E540 PolarHBondContact NH1-OE1 3.22Å; R537-E540 IonicContact NH1-OE2 3.72Å; R537-E540 PolarHBondContact NH1-OE2 3.4Å; R537-E540 PolarHBondContact O-N 2.76Å; R537-L541 HydrophobicContact CG-CD1 4.02Å; R537-L541 HydrophobicContact CG-CG 4.26Å; R537-L541 WeakPolarHBondContact O-CB 3.46Å; R537-L541 WeakPolarHBondContact O-CG 3.34Å; R537-L541 PolarHBondContact O-N 3.13Å; R537-S1032 PolarHBondContact NH2-OG 3.3Å; R537-D1071 IonicContact CZ-OD1 3.33Å; R537-D1071 IonicContact CZ-OD2 3.11Å; R537-D1071 IonicContact NH1-OD2 3.78Å; R537-D1071 PolarHBondContact NH1-OD2 3.02Å; R537-D1071 IonicContact NH2-OD1 3.98Å; R537-D1071 PolarHBondContact NH2-OD1 3.18Å; R537-D1071 IonicContact NH2-OD2 3.33Å; R537-D1071 PolarHBondContact NH2-OD2 2.96Å |
| 538 | K | 95.4 | Very high | 91.1 | Very high | 127 Ų | 127 | 49.5 Ų | 49.5 | 55% | 0.552 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63 | -41 | 174.8 | -78.4 | 174.8 | -177.8 | 178.2 | 0 | 111.8 | T534 H535 I536 H542 | T534-K538 WeakPolarHBondContact O-CG 2.98Å; T534-K538 PolarHBondContact O-N 2.93Å; H535-K538 WeakPolarHBondContact O-CB 3.45Å; H535-K538 PolarHBondContact O-N 3.39Å; I536-K538 VanDerWaalsContact C-N 3.31Å; I536-K538 PolarHBondContact O-N 3.02Å; K538-H542 PolarHBondContact O-N 3.09Å |
| 539 | Q | 95.8 | Very high | 91.6 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 39% | 0.388 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 175.2 | -61.5 | 178.3 | -7.5 | 0 | 0 | 110.9 | L489 H535 I536 R537 L541 H542 M543 | L489-Q539 HydrophobicContact CD1-CB 3.84Å; L489-Q539 HydrophobicContact CD2-CB 4.27Å; H535-Q539 PolarHBondContact NE2-NE2 2.91Å; H535-Q539 PolarHBondContact O-N 2.87Å; I536-Q539 WeakPolarHBondContact O-CB 3.32Å; I536-Q539 PolarHBondContact O-N 2.9Å; I536-Q539 VanDerWaalsContact O-N 3.15Å; R537-Q539 VanDerWaalsContact C-N 3.35Å; Q539-L541 PolarHBondContact O-N 3.41Å; Q539-H542 WeakPolarHBondContact O-CB 3.47Å; Q539-H542 PolarHBondContact O-N 3.05Å; Q539-M543 PolarHBondContact O-N 2.99Å |
| 540 | E | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 175.8 | -168.5 | -173.2 | 174.9 | 0 | 0 | 111.4 | Q486 L489 R493 I536 R537 H542 M543 L544 | Q486-E540 HydrophobicContact CG-CG 3.95Å; Q486-E540 PolarHBondContact NE2-OE1 3.47Å; L489-E540 HydrophobicContact CB-CB 4.28Å; R493-E540 IonicContact CZ-OE2 3.8Å; R493-E540 IonicContact NE-OE2 2.82Å; R493-E540 PolarHBondContact NE-OE2 3.01Å; R493-E540 IonicContact NH2-OE1 2.98Å; R493-E540 IonicContact NH2-OE2 3.31Å; I536-E540 PolarHBondContact O-N 3.47Å; R537-E540 WeakPolarHBondContact CD-OE2 3.45Å; R537-E540 IonicContact CZ-OE2 2.77Å; R537-E540 IonicContact NE-OE2 3.71Å; R537-E540 IonicContact NH1-OE1 2.7Å; R537-E540 PolarHBondContact NH1-OE1 3.22Å; R537-E540 IonicContact NH1-OE2 3.72Å; R537-E540 PolarHBondContact NH1-OE2 3.4Å; R537-E540 PolarHBondContact O-N 2.76Å; E540-H542 VanDerWaalsContact C-N 3.29Å; E540-H542 PolarHBondContact O-N 3.3Å; E540-M543 PolarHBondContact O-N 2.99Å; E540-M543 VanDerWaalsContact O-N 3.15Å; E540-L544 PolarHBondContact O-N 3.2Å |
| 541 | L | 94.3 | Very high | 92 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -32 | 177.3 | -69.7 | 167.2 | 0 | 0 | 0 | 112.6 | R537 Q539 L544 R545 V1029 K1033 | R537-L541 HydrophobicContact CG-CD1 4.02Å; R537-L541 HydrophobicContact CG-CG 4.26Å; R537-L541 WeakPolarHBondContact O-CB 3.46Å; R537-L541 WeakPolarHBondContact O-CG 3.34Å; R537-L541 PolarHBondContact O-N 3.13Å; Q539-L541 PolarHBondContact O-N 3.41Å; L541-L544 HydrophobicContact CD2-CD1 4.28Å; L541-L544 PolarHBondContact O-N 3.21Å; L541-R545 WeakPolarHBondContact O-CG 3.44Å; L541-R545 PolarHBondContact O-N 3Å; L541-V1029 HydrophobicContact CB-CG1 4.42Å; L541-V1029 HydrophobicContact CD2-CG1 3.71Å; L541-K1033 HydrophobicContact CD1-CB 3.66Å; L541-K1033 HydrophobicContact CD1-CD 4.1Å; L541-K1033 HydrophobicContact CD1-CG 3.66Å; L541-K1033 HydrophobicContact CD2-CB 4.33Å |
| 542 | H | 94.9 | Very high | 92 | Very high | 94 Ų | 94 | 45.9 Ų | 45.9 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 174.3 | -179.7 | 80.1 | 0 | 0 | 0 | 111.4 | K538 Q539 E540 R545 K546 | K538-H542 PolarHBondContact O-N 3.09Å; Q539-H542 WeakPolarHBondContact O-CB 3.47Å; Q539-H542 PolarHBondContact O-N 3.05Å; E540-H542 VanDerWaalsContact C-N 3.29Å; E540-H542 PolarHBondContact O-N 3.3Å; H542-R545 PolarHBondContact O-N 3.49Å; H542-K546 WeakPolarHBondContact NE2-CE 3.39Å; H542-K546 PolarHBondContact NE2-NZ 2.97Å; H542-K546 VanDerWaalsContact NE2-NZ 3.12Å; H542-K546 PolarHBondContact O-N 3.44Å; H542-K546 VanDerWaalsContact O-N 3.14Å |
| 543 | M | 93.1 | Very high | 92.2 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 17% | 0.172 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.5 | -40 | 175.1 | -62.9 | -52.4 | -175.9 | 0 | 0 | 112.1 | Q485 Q486 L489 Q539 E540 R545 K546 A547 | Q485-M543 HydrophobicContact CB-CE 4.44Å; Q485-M543 HydrophobicContact CB-CG 4.39Å; Q486-M543 HydrophobicContact CB-CB 4.02Å; L489-M543 HydrophobicContact CD1-CG 4.09Å; Q539-M543 PolarHBondContact O-N 2.99Å; E540-M543 PolarHBondContact O-N 2.99Å; E540-M543 VanDerWaalsContact O-N 3.15Å; M543-R545 VanDerWaalsContact C-N 3.33Å; M543-R545 PolarHBondContact O-N 3.39Å; M543-K546 PolarHBondContact O-N 3.41Å; M543-A547 PolarHBondContact O-N 3.03Å |
| 544 | L | 91.3 | Very high | 92 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 173 | -73.3 | 172.2 | 0 | 0 | 0 | 112.3 | Q486 E540 L541 A547 A548 V1029 D1071 | Q486-L544 HydrophobicContact CG-CD2 3.82Å; Q486-L544 HydrophobicContact CG-CG 3.91Å; E540-L544 PolarHBondContact O-N 3.2Å; L541-L544 HydrophobicContact CD2-CD1 4.28Å; L541-L544 PolarHBondContact O-N 3.21Å; L544-A547 PolarHBondContact O-N 3.03Å; L544-A548 VanDerWaalsContact O-CB 3.31Å; L544-A548 WeakPolarHBondContact O-CB 3.49Å; L544-A548 PolarHBondContact O-N 2.96Å; L544-V1029 HydrophobicContact CB-CG2 4.36Å; L544-D1071 HydrophobicContact CD1-CB 4.12Å |
| 545 | R | 93.2 | Very high | 91.6 | Very high | 113 Ų | 113 | 43.4 Ų | 43.4 | 43% | 0.426 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 175 | -74.3 | 178 | -176 | 177.3 | -3.5 | 112.4 | L541 H542 M543 A548 I549 F1026 V1029 | L541-R545 WeakPolarHBondContact O-CG 3.44Å; L541-R545 PolarHBondContact O-N 3Å; H542-R545 PolarHBondContact O-N 3.49Å; M543-R545 VanDerWaalsContact C-N 3.33Å; M543-R545 PolarHBondContact O-N 3.39Å; R545-A548 WeakPolarHBondContact O-CB 3.43Å; R545-A548 PolarHBondContact O-N 3.4Å; R545-I549 WeakPolarHBondContact O-CG1 3.44Å; R545-I549 PolarHBondContact O-N 3.39Å; R545-I549 VanDerWaalsContact O-N 3.07Å; R545-F1026 HydrophobicContact CB-CE1 4.34Å; R545-F1026 HydrophobicContact CG-CD1 4.38Å; R545-F1026 HydrophobicContact CG-CE1 4.45Å; R545-V1029 HydrophobicContact CG-CB 4.43Å; R545-V1029 HydrophobicContact CG-CG1 3.88Å |
| 546 | K | 93.2 | Very high | 91.4 | Very high | 84 Ų | 84 | 41.5 Ų | 41.5 | 37% | 0.365 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.7 | -46.5 | 175.9 | -76.9 | -178.3 | 169.3 | 169.3 | 0 | 111.4 | H542 M543 A548 I549 Y550 | H542-K546 WeakPolarHBondContact NE2-CE 3.39Å; H542-K546 PolarHBondContact NE2-NZ 2.97Å; H542-K546 VanDerWaalsContact NE2-NZ 3.12Å; H542-K546 PolarHBondContact O-N 3.44Å; H542-K546 VanDerWaalsContact O-N 3.14Å; M543-K546 PolarHBondContact O-N 3.41Å; K546-A548 VanDerWaalsContact C-N 3.3Å; K546-A548 PolarHBondContact O-N 3.02Å; K546-I549 PolarHBondContact O-N 2.91Å; K546-I549 VanDerWaalsContact O-N 3.16Å; K546-Y550 HydrophobicContact CB-CE2 4.35Å; K546-Y550 WeakPolarHBondContact O-CD2 3.26Å; K546-Y550 PolarHBondContact O-N 3.05Å; K546-Y550 VanDerWaalsContact O-N 3.1Å |
| 547 | A | 89.5 | Confident | 91.1 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E479 C482 M543 L544 I549 Y550 G551 | E479-A547 HydrophobicContact CG-CB 4.41Å; C482-A547 HydrophobicContact CB-CB 3.92Å; M543-A547 PolarHBondContact O-N 3.03Å; L544-A547 PolarHBondContact O-N 3.03Å; A547-I549 VanDerWaalsContact C-N 3.35Å; A547-I549 PolarHBondContact O-N 3.39Å; A547-Y550 PolarHBondContact O-N 3.23Å; A547-G551 PolarHBondContact O-N 3.41Å |
| 548 | A | 88.2 | Confident | 90.5 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L544 R545 K546 S552 A1025 | L544-A548 VanDerWaalsContact O-CB 3.31Å; L544-A548 WeakPolarHBondContact O-CB 3.49Å; L544-A548 PolarHBondContact O-N 2.96Å; R545-A548 WeakPolarHBondContact O-CB 3.43Å; R545-A548 PolarHBondContact O-N 3.4Å; K546-A548 VanDerWaalsContact C-N 3.3Å; K546-A548 PolarHBondContact O-N 3.02Å; A548-S552 WeakPolarHBondContact O-CB 3.35Å; A548-S552 PolarHBondContact O-N 3.23Å; A548-S552 PolarHBondContact O-OG 2.87Å; A548-A1025 HydrophobicContact CB-CB 3.76Å |
| 549 | I | 91.9 | Very high | 89.9 | Confident | 70 Ų | 70 | 39.7 Ų | 39.7 | 36% | 0.359 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.6 | -48.9 | 175.4 | -67.8 | 163.1 | 0 | 0 | 0 | 110.1 | R545 K546 A547 S552 A553 F1026 | R545-I549 WeakPolarHBondContact O-CG1 3.44Å; R545-I549 PolarHBondContact O-N 3.39Å; R545-I549 VanDerWaalsContact O-N 3.07Å; K546-I549 PolarHBondContact O-N 2.91Å; K546-I549 VanDerWaalsContact O-N 3.16Å; A547-I549 VanDerWaalsContact C-N 3.35Å; A547-I549 PolarHBondContact O-N 3.39Å; I549-S552 PolarHBondContact O-N 3.03Å; I549-A553 PolarHBondContact O-N 2.98Å; I549-F1026 HydrophobicContact CD1-CE1 4.23Å; I549-F1026 HydrophobicContact CD1-CZ 4Å; I549-F1026 HydrophobicContact CG1-CE1 3.97Å; I549-F1026 HydrophobicContact CG1-CZ 3.82Å |
| 550 | Y | 91.3 | Very high | 89.4 | Confident | 68 Ų | 68 | 36.8 Ų | 36.8 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 178.3 | -64 | -54.2 | 0 | 0 | 0 | 111.9 | L475 M478 K546 A547 S552 A553 V554 | L475-Y550 HydrophobicContact CD2-CD1 4.45Å; M478-Y550 HydrophobicContact CB-CD1 4.06Å; M478-Y550 HydrophobicContact CB-CD2 3.98Å; M478-Y550 HydrophobicContact CB-CE1 4.1Å; M478-Y550 HydrophobicContact CB-CE2 4.03Å; M478-Y550 HydrophobicContact CB-CG 4.01Å; M478-Y550 HydrophobicContact SD-CD1 4.2Å; M478-Y550 HydrophobicContact SD-CE1 3.6Å; M478-Y550 VanDerWaalsContact SD-CE1 3.6Å; K546-Y550 HydrophobicContact CB-CE2 4.35Å; K546-Y550 WeakPolarHBondContact O-CD2 3.26Å; K546-Y550 PolarHBondContact O-N 3.05Å; K546-Y550 VanDerWaalsContact O-N 3.1Å; A547-Y550 PolarHBondContact O-N 3.23Å; Y550-S552 VanDerWaalsContact C-N 3.33Å; Y550-S552 PolarHBondContact O-N 3.47Å; Y550-A553 WeakPolarHBondContact O-CB 3.45Å; Y550-A553 PolarHBondContact O-N 3.5Å; Y550-A553 VanDerWaalsContact O-N 3.13Å; Y550-V554 WeakPolarHBondContact O-CG2 3.34Å; Y550-V554 PolarHBondContact O-N 3.28Å |
| 551 | G | 87.1 | Confident | 88.9 | Confident | 7 Ų | 7 | 37 Ų | 37 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -33.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | A547 V554 T555 | A547-G551 PolarHBondContact O-N 3.41Å; G551-V554 PolarHBondContact O-N 3.36Å; G551-T555 PolarHBondContact O-N 3.31Å; G551-T555 PolarHBondContact O-OG1 3.44Å |
| 552 | S | 89.6 | Confident | 88.3 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.8 | -39.4 | 172.1 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | A548 I549 Y550 T555 F556 F1018 | A548-S552 WeakPolarHBondContact O-CB 3.35Å; A548-S552 PolarHBondContact O-N 3.23Å; A548-S552 PolarHBondContact O-OG 2.87Å; I549-S552 PolarHBondContact O-N 3.03Å; Y550-S552 VanDerWaalsContact C-N 3.33Å; Y550-S552 PolarHBondContact O-N 3.47Å; S552-T555 WeakPolarHBondContact O-CB 3.45Å; S552-T555 PolarHBondContact O-N 3.07Å; S552-T555 VanDerWaalsContact O-N 3.16Å; S552-F556 PolarHBondContact O-N 3.48Å; S552-F1018 WeakPolarHBondContact O-CD2 3.21Å |
| 553 | A | 89.7 | Confident | 87.8 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 19% | 0.19 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L475 I549 Y550 T555 F556 T557 | L475-A553 HydrophobicContact CD1-CB 4.12Å; L475-A553 HydrophobicContact CD2-CB 4.29Å; I549-A553 PolarHBondContact O-N 2.98Å; Y550-A553 WeakPolarHBondContact O-CB 3.45Å; Y550-A553 PolarHBondContact O-N 3.5Å; Y550-A553 VanDerWaalsContact O-N 3.13Å; A553-T555 VanDerWaalsContact C-N 3.28Å; A553-T555 PolarHBondContact O-N 3.2Å; A553-F556 WeakPolarHBondContact O-CB 3.29Å; A553-F556 PolarHBondContact O-N 3Å; A553-T557 PolarHBondContact O-N 2.91Å; A553-T557 PolarHBondContact O-OG1 3.01Å |
| 554 | V | 86.8 | Confident | 87.6 | Confident | 18 Ų | 18 | 35.7 Ų | 35.7 | 11% | 0.109 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -37.3 | 171.9 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | L475 Y550 G551 T557 W558 | L475-V554 HydrophobicContact CB-CG2 3.55Å; L475-V554 HydrophobicContact CD1-CG2 4.32Å; Y550-V554 WeakPolarHBondContact O-CG2 3.34Å; Y550-V554 PolarHBondContact O-N 3.28Å; G551-V554 PolarHBondContact O-N 3.36Å; V554-T557 WeakPolarHBondContact CA-OG1 3.22Å; V554-T557 PolarHBondContact O-OG1 3.03Å; V554-W558 PolarHBondContact O-N 3.49Å; V554-W558 VanDerWaalsContact O-N 3.15Å |
| 555 | T | 83.3 | Confident | 87.4 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 176.3 | -49.9 | 0 | 0 | 0 | 0 | 111.3 | G551 S552 A553 W558 T559 M1017 R1079 | G551-T555 PolarHBondContact O-N 3.31Å; G551-T555 PolarHBondContact O-OG1 3.44Å; S552-T555 WeakPolarHBondContact O-CB 3.45Å; S552-T555 PolarHBondContact O-N 3.07Å; S552-T555 VanDerWaalsContact O-N 3.16Å; A553-T555 VanDerWaalsContact C-N 3.28Å; A553-T555 PolarHBondContact O-N 3.2Å; T555-W558 PolarHBondContact O-N 3.35Å; T555-T559 WeakPolarHBondContact O-CB 3.47Å; T555-T559 PolarHBondContact O-N 3.09Å; T555-T559 PolarHBondContact O-OG1 3.12Å; T555-M1017 HydrophobicContact CG2-SD 4.43Å; T555-R1079 PolarHBondContact OG1-NH1 3.2Å |
| 556 | F | 88 | Confident | 87 | Confident | 68 Ų | 68 | 30.3 Ų | 30.3 | 30% | 0.298 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.6 | -50.6 | 177.1 | 172.4 | -106.7 | 0 | 0 | 0 | 111.7 | S552 A553 W558 T559 V560 A1014 F1018 | S552-F556 PolarHBondContact O-N 3.48Å; A553-F556 WeakPolarHBondContact O-CB 3.29Å; A553-F556 PolarHBondContact O-N 3Å; F556-W558 VanDerWaalsContact C-N 3.3Å; F556-W558 PolarHBondContact O-N 3.12Å; F556-T559 PolarHBondContact O-N 3.27Å; F556-V560 HydrophobicContact CD1-CG2 4.38Å; F556-V560 HydrophobicContact CD2-CG2 3.98Å; F556-V560 HydrophobicContact CE1-CG2 4.01Å; F556-V560 HydrophobicContact CE2-CG2 3.58Å; F556-V560 HydrophobicContact CG-CG2 4.38Å; F556-V560 HydrophobicContact CZ-CG2 3.6Å; F556-V560 WeakPolarHBondContact O-CG2 3.45Å; F556-V560 PolarHBondContact O-N 3.41Å; F556-A1014 HydrophobicContact CD2-CB 3.88Å; F556-A1014 WeakPolarHBondContact CD2-O 3.3Å; F556-A1014 HydrophobicContact CE2-CB 3.71Å; F556-F1018 HydrophobicContact CB-CB 4.02Å; F556-F1018 HydrophobicContact CB-CD2 3.73Å; F556-F1018 HydrophobicContact CB-CG 4.15Å; F556-F1018 HydrophobicContact CD2-CB 3.75Å; F556-F1018 HydrophobicContact CD2-CG 4.3Å; F556-F1018 HydrophobicContact CG-CB 4.2Å; F556-F1018 HydrophobicContact CG-CD2 4.35Å; F556-F1018 HydrophobicContact CG-CG 4.38Å |
| 557 | T | 85.7 | Confident | 86.8 | Confident | 15 Ų | 15 | 27.2 Ų | 27.2 | 9% | 0.092 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.7 | -39.4 | 179 | 50.4 | 0 | 0 | 0 | 0 | 112 | I471 N472 L475 A553 V554 T559 A561 | I471-T557 HydrophobicContact CG2-CG2 4.13Å; N472-T557 WeakPolarHBondContact OD1-CB 3.46Å; N472-T557 PolarHBondContact OD1-OG1 3.28Å; L475-T557 HydrophobicContact CD1-CG2 4.1Å; A553-T557 PolarHBondContact O-N 2.91Å; A553-T557 PolarHBondContact O-OG1 3.01Å; V554-T557 WeakPolarHBondContact CA-OG1 3.22Å; V554-T557 PolarHBondContact O-OG1 3.03Å; T557-T559 VanDerWaalsContact C-N 3.31Å; T557-T559 PolarHBondContact O-N 2.96Å; T557-A561 WeakPolarHBondContact O-CB 3.43Å; T557-A561 PolarHBondContact O-N 2.68Å; T557-A561 VanDerWaalsContact O-N 3.1Å |
| 558 | W | 82.7 | Confident | 86.9 | Confident | 72 Ų | 72 | 28.7 Ų | 28.7 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.3 | -32.8 | 173.5 | -88.1 | 115.9 | 0 | 0 | 0 | 114 | V554 T555 F556 P562 Q598 T602 | V554-W558 PolarHBondContact O-N 3.49Å; V554-W558 VanDerWaalsContact O-N 3.15Å; T555-W558 PolarHBondContact O-N 3.35Å; F556-W558 VanDerWaalsContact C-N 3.3Å; F556-W558 PolarHBondContact O-N 3.12Å; W558-P562 VanDerWaalsContact O-CD 3.29Å; W558-P562 WeakPolarHBondContact O-CD 3.27Å; W558-Q598 HydrophobicContact CZ3-CG 3.96Å; W558-T602 HydrophobicContact CH2-CG2 3.74Å; W558-T602 WeakPolarHBondContact CH2-OG1 3.43Å; W558-T602 HydrophobicContact CZ2-CG2 3.54Å; W558-T602 HydrophobicContact CZ3-CG2 4.37Å; W558-T602 WeakPolarHBondContact CZ3-OG1 2.93Å |
| 559 | T | 83 | Confident | 87 | Confident | 21 Ų | 21 | 27.7 Ų | 27.7 | 13% | 0.129 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -80.1 | -37.5 | -179.3 | -53.6 | 0 | 0 | 0 | 0 | 111.8 | T555 F556 T557 A561 P563 A1014 M1017 | T555-T559 WeakPolarHBondContact O-CB 3.47Å; T555-T559 PolarHBondContact O-N 3.09Å; T555-T559 PolarHBondContact O-OG1 3.12Å; F556-T559 PolarHBondContact O-N 3.27Å; T557-T559 VanDerWaalsContact C-N 3.31Å; T557-T559 PolarHBondContact O-N 2.96Å; T559-A561 VanDerWaalsContact C-N 3.31Å; T559-P563 WeakPolarHBondContact O-CD 3.17Å; T559-A1014 HydrophobicContact CG2-CB 4.02Å; T559-M1017 HydrophobicContact CG2-CB 4.49Å; T559-M1017 HydrophobicContact CG2-CE 3.49Å; T559-M1017 VanDerWaalsContact CG2-CE 3.49Å; T559-M1017 HydrophobicContact CG2-SD 3.63Å; T559-M1017 PolarHBondContact OG1-SD 3.4Å |
| 560 | V | 86.2 | Confident | 87 | Confident | 21 Ų | 21 | 24.3 Ų | 24.3 | 13% | 0.127 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.6 | -31.6 | 175.3 | 175 | 0 | 0 | 0 | 0 | 111.5 | F556 P563 L564 A1014 | F556-V560 HydrophobicContact CD1-CG2 4.38Å; F556-V560 HydrophobicContact CD2-CG2 3.98Å; F556-V560 HydrophobicContact CE1-CG2 4.01Å; F556-V560 HydrophobicContact CE2-CG2 3.58Å; F556-V560 HydrophobicContact CG-CG2 4.38Å; F556-V560 HydrophobicContact CZ-CG2 3.6Å; F556-V560 WeakPolarHBondContact O-CG2 3.45Å; F556-V560 PolarHBondContact O-N 3.41Å; V560-P563 WeakPolarHBondContact O-CD 3.48Å; V560-L564 HydrophobicContact CG1-CB 4.09Å; V560-L564 HydrophobicContact CG1-CD2 4.21Å; V560-L564 WeakPolarHBondContact O-CB 3.38Å; V560-L564 PolarHBondContact O-N 2.8Å; V560-A1014 HydrophobicContact CB-CB 4.35Å; V560-A1014 HydrophobicContact CG2-CB 3.25Å |
| 561 | A | 84.3 | Confident | 86.9 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 5% | 0.05 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.1 | -53.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | M468 T557 T559 L564 I565 | M468-A561 HydrophobicContact CG-CB 4.38Å; T557-A561 WeakPolarHBondContact O-CB 3.43Å; T557-A561 PolarHBondContact O-N 2.68Å; T557-A561 VanDerWaalsContact O-N 3.1Å; T559-A561 VanDerWaalsContact C-N 3.31Å; A561-L564 PolarHBondContact O-N 2.91Å; A561-I565 HydrophobicContact CB-CD1 4.25Å; A561-I565 WeakPolarHBondContact O-CB 3.47Å; A561-I565 WeakPolarHBondContact O-CD1 3.08Å; A561-I565 WeakPolarHBondContact O-CG1 3.12Å; A561-I565 PolarHBondContact O-N 3.22Å |
| 562 | P | 82.2 | Confident | 87 | Confident | 32 Ų | 32 | 23.7 Ų | 23.7 | 21% | 0.208 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.8 | -48 | -176 | -18.3 | 29.9 | 0 | 0 | 0 | 114.1 | W558 L564 I565 A566 | W558-P562 VanDerWaalsContact O-CD 3.29Å; W558-P562 WeakPolarHBondContact O-CD 3.27Å; P562-L564 VanDerWaalsContact C-N 3.31Å; P562-L564 PolarHBondContact O-N 3.03Å; P562-I565 PolarHBondContact O-N 2.85Å; P562-A566 WeakPolarHBondContact O-CB 3.31Å; P562-A566 PolarHBondContact O-N 3.23Å |
| 563 | P | 83.4 | Confident | 87.1 | Confident | 15 Ų | 15 | 24.3 Ų | 24.3 | 10% | 0.097 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.1 | -41.1 | 173.3 | -24.6 | 34.2 | 0 | 0 | 0 | 112.7 | T559 V560 A566 V567 | T559-P563 WeakPolarHBondContact O-CD 3.17Å; V560-P563 WeakPolarHBondContact O-CD 3.48Å; P563-A566 PolarHBondContact O-N 2.93Å; P563-V567 VanDerWaalsContact O-CG2 3.23Å; P563-V567 WeakPolarHBondContact O-CG2 3.25Å; P563-V567 PolarHBondContact O-N 3.25Å |
| 564 | L | 88 | Confident | 87 | Confident | 61 Ų | 61 | 24.7 Ų | 24.7 | 32% | 0.319 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -65.9 | -42.4 | -179.7 | -175.2 | 66.3 | 0 | 0 | 0 | 112.3 | V464 M468 V560 A561 P562 A566 V567 V568 | V464-L564 HydrophobicContact CG1-CD2 3.65Å; V464-L564 HydrophobicContact CG1-CG 3.9Å; M468-L564 HydrophobicContact CE-CD2 3.51Å; V560-L564 HydrophobicContact CG1-CB 4.09Å; V560-L564 HydrophobicContact CG1-CD2 4.21Å; V560-L564 WeakPolarHBondContact O-CB 3.38Å; V560-L564 PolarHBondContact O-N 2.8Å; A561-L564 PolarHBondContact O-N 2.91Å; P562-L564 VanDerWaalsContact C-N 3.31Å; P562-L564 PolarHBondContact O-N 3.03Å; L564-A566 VanDerWaalsContact C-N 3.34Å; L564-V567 PolarHBondContact O-N 3.2Å; L564-V568 HydrophobicContact CD1-CG2 4.33Å; L564-V568 WeakPolarHBondContact O-CB 3.44Å; L564-V568 WeakPolarHBondContact O-CG2 3.34Å; L564-V568 PolarHBondContact O-N 3.09Å |
| 565 | I | 88.5 | Confident | 86.9 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -46.9 | 175.7 | -67.8 | 155.2 | 0 | 0 | 0 | 109.8 | V464 M465 A561 P562 V568 S569 F594 | V464-I565 HydrophobicContact CB-CG1 4.22Å; V464-I565 HydrophobicContact CG1-CG1 3.91Å; M465-I565 HydrophobicContact CE-CD1 3.63Å; M465-I565 HydrophobicContact CE-CG1 4.49Å; M465-I565 HydrophobicContact CE-CG2 4.1Å; M465-I565 HydrophobicContact CG-CD1 3.3Å; M465-I565 HydrophobicContact CG-CG1 3.8Å; M465-I565 HydrophobicContact SD-CD1 4.29Å; A561-I565 HydrophobicContact CB-CD1 4.25Å; A561-I565 WeakPolarHBondContact O-CB 3.47Å; A561-I565 WeakPolarHBondContact O-CD1 3.08Å; A561-I565 WeakPolarHBondContact O-CG1 3.12Å; A561-I565 PolarHBondContact O-N 3.22Å; P562-I565 PolarHBondContact O-N 2.85Å; I565-V568 PolarHBondContact O-N 2.86Å; I565-S569 VanDerWaalsContact O-CB 3.31Å; I565-S569 WeakPolarHBondContact O-CB 3.33Å; I565-S569 PolarHBondContact O-N 3.08Å; I565-S569 PolarHBondContact O-OG 2.93Å; I565-F594 HydrophobicContact CG2-CD1 3.8Å; I565-F594 HydrophobicContact CG2-CD2 4.36Å; I565-F594 HydrophobicContact CG2-CE1 3.76Å; I565-F594 HydrophobicContact CG2-CE2 4.33Å; I565-F594 HydrophobicContact CG2-CG 4.12Å; I565-F594 HydrophobicContact CG2-CZ 4.04Å |
| 566 | A | 85.2 | Confident | 87.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P562 P563 L564 V568 S569 F570 Y1006 | P562-A566 WeakPolarHBondContact O-CB 3.31Å; P562-A566 PolarHBondContact O-N 3.23Å; P563-A566 PolarHBondContact O-N 2.93Å; L564-A566 VanDerWaalsContact C-N 3.34Å; A566-V568 PolarHBondContact O-N 3.38Å; A566-S569 PolarHBondContact O-N 2.86Å; A566-F570 HydrophobicContact CB-CD2 4.14Å; A566-F570 HydrophobicContact CB-CE2 3.81Å; A566-F570 VanDerWaalsContact O-CB 3.29Å; A566-F570 WeakPolarHBondContact O-CB 3.21Å; A566-F570 WeakPolarHBondContact O-CD2 3.4Å; A566-F570 WeakPolarHBondContact O-CG 3.47Å; A566-F570 PolarHBondContact O-N 3.5Å; A566-Y1006 HydrophobicContact CB-CE1 3.89Å |
| 567 | V | 88.8 | Confident | 87 | Confident | 19 Ų | 19 | 33.5 Ų | 33.5 | 12% | 0.115 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.7 | -51.9 | 175.9 | 170 | 0 | 0 | 0 | 0 | 110.7 | P563 L564 A571 I1003 Y1006 A1007 | P563-V567 VanDerWaalsContact O-CG2 3.23Å; P563-V567 WeakPolarHBondContact O-CG2 3.25Å; P563-V567 PolarHBondContact O-N 3.25Å; L564-V567 PolarHBondContact O-N 3.2Å; V567-A571 WeakPolarHBondContact O-CB 3.44Å; V567-A571 PolarHBondContact O-N 3.22Å; V567-I1003 HydrophobicContact CG1-CG2 4.22Å; V567-Y1006 HydrophobicContact CG2-CD1 3.39Å; V567-Y1006 HydrophobicContact CG2-CE1 3.74Å; V567-A1007 HydrophobicContact CG1-CB 4.27Å; V567-A1007 HydrophobicContact CG2-CB 3.9Å |
| 568 | V | 91.1 | Very high | 86.7 | Confident | 41 Ų | 41 | 39 Ų | 39 | 25% | 0.248 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.4 | -42.3 | -174.6 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | A460 V464 L564 I565 A566 T572 | A460-V568 HydrophobicContact CB-CG1 3.74Å; V464-V568 HydrophobicContact CG2-CB 4.02Å; V464-V568 HydrophobicContact CG2-CG1 3.9Å; V464-V568 HydrophobicContact CG2-CG2 3.92Å; L564-V568 HydrophobicContact CD1-CG2 4.33Å; L564-V568 WeakPolarHBondContact O-CB 3.44Å; L564-V568 WeakPolarHBondContact O-CG2 3.34Å; L564-V568 PolarHBondContact O-N 3.09Å; I565-V568 PolarHBondContact O-N 2.86Å; A566-V568 PolarHBondContact O-N 3.38Å; V568-T572 WeakPolarHBondContact O-CB 3.3Å; V568-T572 VanDerWaalsContact O-CG2 3.28Å; V568-T572 WeakPolarHBondContact O-CG2 3.34Å; V568-T572 PolarHBondContact O-N 3.43Å; V568-T572 PolarHBondContact O-OG1 2.93Å |
| 569 | S | 91.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -45.1 | 176.6 | -79.9 | 0 | 0 | 0 | 0 | 112.8 | G461 I565 A566 T572 F573 | G461-S569 WeakPolarHBondContact CA-OG 3.46Å; G461-S569 PolarHBondContact N-OG 3.37Å; I565-S569 VanDerWaalsContact O-CB 3.31Å; I565-S569 WeakPolarHBondContact O-CB 3.33Å; I565-S569 PolarHBondContact O-N 3.08Å; I565-S569 PolarHBondContact O-OG 2.93Å; A566-S569 PolarHBondContact O-N 2.86Å; S569-T572 PolarHBondContact O-OG1 3.03Å; S569-F573 VanDerWaalsContact O-CB 3.29Å; S569-F573 WeakPolarHBondContact O-CB 3.41Å; S569-F573 PolarHBondContact O-N 2.83Å |
| 570 | F | 90.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.7 | -38.4 | -179.8 | -59.6 | -32.9 | 0 | 0 | 0 | 112.1 | L454 A566 F573 L574 L582 A587 L980 W983 | L454-F570 HydrophobicContact CD2-CD1 4.22Å; L454-F570 HydrophobicContact CD2-CE1 4.27Å; A566-F570 HydrophobicContact CB-CD2 4.14Å; A566-F570 HydrophobicContact CB-CE2 3.81Å; A566-F570 VanDerWaalsContact O-CB 3.29Å; A566-F570 WeakPolarHBondContact O-CB 3.21Å; A566-F570 WeakPolarHBondContact O-CD2 3.4Å; A566-F570 WeakPolarHBondContact O-CG 3.47Å; A566-F570 PolarHBondContact O-N 3.5Å; F570-F573 PolarHBondContact O-N 2.81Å; F570-L574 WeakPolarHBondContact O-CB 3.26Å; F570-L574 WeakPolarHBondContact O-CD1 3.44Å; F570-L574 VanDerWaalsContact O-CG 3.28Å; F570-L574 WeakPolarHBondContact O-CG 3.41Å; F570-L574 PolarHBondContact O-N 2.83Å; F570-L582 HydrophobicContact CB-CD1 4.26Å; F570-L582 HydrophobicContact CB-CD2 4.36Å; F570-L582 HydrophobicContact CD1-CD1 3.56Å; F570-L582 HydrophobicContact CD2-CD1 4.41Å; F570-L582 HydrophobicContact CD2-CD2 4.36Å; F570-L582 HydrophobicContact CE1-CD1 3.94Å; F570-L582 HydrophobicContact CG-CD1 3.83Å; F570-L582 HydrophobicContact CG-CD2 4.29Å; F570-A587 HydrophobicContact CZ-CB 4.46Å; F570-L980 HydrophobicContact CD2-CD1 4.22Å; F570-L980 HydrophobicContact CE2-CD1 4Å; F570-L980 HydrophobicContact CE2-CD2 4.45Å; F570-W983 HydrophobicContact CB-CH2 3.79Å; F570-W983 HydrophobicContact CB-CZ3 4.23Å; F570-W983 HydrophobicContact CD2-CZ3 4.19Å |
| 571 | A | 88.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 12% | 0.124 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | V567 L574 L575 I1003 | V567-A571 WeakPolarHBondContact O-CB 3.44Å; V567-A571 PolarHBondContact O-N 3.22Å; A571-L574 PolarHBondContact O-N 2.92Å; A571-L575 VanDerWaalsContact O-CB 3.23Å; A571-L575 WeakPolarHBondContact O-CB 3.4Å; A571-L575 WeakPolarHBondContact O-CG 3.46Å; A571-L575 PolarHBondContact O-N 2.72Å; A571-I1003 HydrophobicContact CB-CD1 4.02Å; A571-I1003 HydrophobicContact CB-CG2 4.47Å |
| 572 | T | 90.5 | Very high | 86.7 | Confident | 46 Ų | 46 | 44.7 Ų | 44.7 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.8 | -36.8 | 176.9 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | A460 V568 S569 S576 | A460-T572 HydrophobicContact CB-CG2 3.66Å; V568-T572 WeakPolarHBondContact O-CB 3.3Å; V568-T572 VanDerWaalsContact O-CG2 3.28Å; V568-T572 WeakPolarHBondContact O-CG2 3.34Å; V568-T572 PolarHBondContact O-N 3.43Å; V568-T572 PolarHBondContact O-OG1 2.93Å; S569-T572 PolarHBondContact O-OG1 3.03Å; T572-S576 WeakPolarHBondContact O-CB 3.16Å; T572-S576 PolarHBondContact O-N 2.43Å; T572-S576 PolarHBondContact O-OG 2.84Å; T572-S576 VanDerWaalsContact O-OG 3.08Å |
| 573 | F | 90.4 | Very high | 87.1 | Confident | 18 Ų | 18 | 44.7 Ų | 44.7 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.5 | -50.3 | 172.5 | -176.4 | -109.9 | 0 | 0 | 0 | 112 | L454 S457 S569 F570 S576 N580 V586 | L454-F573 HydrophobicContact CD2-CB 4.32Å; L454-F573 HydrophobicContact CD2-CD1 4.39Å; L454-F573 HydrophobicContact CD2-CD2 4.09Å; L454-F573 HydrophobicContact CD2-CG 4.02Å; L454-F573 WeakPolarHBondContact O-CD2 3.37Å; S457-F573 VanDerWaalsContact OG-CA 3.28Å; S457-F573 WeakPolarHBondContact OG-CA 3.45Å; S457-F573 PolarHBondContact OG-N 3.31Å; S569-F573 VanDerWaalsContact O-CB 3.29Å; S569-F573 WeakPolarHBondContact O-CB 3.41Å; S569-F573 PolarHBondContact O-N 2.83Å; F570-F573 PolarHBondContact O-N 2.81Å; F573-S576 PolarHBondContact O-OG 2.91Å; F573-N580 HydrophobicContact CD1-CB 4.04Å; F573-N580 HydrophobicContact CD2-CB 4.38Å; F573-N580 HydrophobicContact CE1-CB 3.73Å; F573-N580 HydrophobicContact CE2-CB 4.09Å; F573-N580 HydrophobicContact CG-CB 4.36Å; F573-N580 HydrophobicContact CZ-CB 3.76Å; F573-N580 WeakPolarHBondContact O-CB 3.46Å; F573-N580 PolarHBondContact O-ND2 3.23Å; F573-V586 HydrophobicContact CE1-CG1 4.17Å; F573-V586 HydrophobicContact CZ-CG1 4.39Å |
| 574 | L | 88.2 | Confident | 87.3 | Confident | 31 Ų | 31 | 44 Ų | 44 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.5 | -32.1 | -178.9 | -66.9 | 167 | 0 | 0 | 0 | 113.9 | F570 A571 N580 L582 W983 T999 | F570-L574 WeakPolarHBondContact O-CB 3.26Å; F570-L574 WeakPolarHBondContact O-CD1 3.44Å; F570-L574 VanDerWaalsContact O-CG 3.28Å; F570-L574 WeakPolarHBondContact O-CG 3.41Å; F570-L574 PolarHBondContact O-N 2.83Å; A571-L574 PolarHBondContact O-N 2.92Å; L574-N580 WeakPolarHBondContact CD2-O 3.48Å; L574-L582 HydrophobicContact CD1-CB 4.32Å; L574-L582 HydrophobicContact CD2-CB 4.08Å; L574-W983 HydrophobicContact CD1-CH2 4.18Å; L574-W983 HydrophobicContact CD1-CZ2 3.34Å; L574-T999 HydrophobicContact CB-CG2 4.49Å; L574-T999 HydrophobicContact CD1-CG2 3.74Å |
| 575 | L | 86.1 | Confident | 87.4 | Confident | 134 Ų | 134 | 42.1 Ų | 42.1 | 70% | 0.702 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -83.9 | -20 | 179.8 | -67.9 | 172.4 | 0 | 0 | 0 | 113.2 | A571 | A571-L575 VanDerWaalsContact O-CB 3.23Å; A571-L575 WeakPolarHBondContact O-CB 3.4Å; A571-L575 WeakPolarHBondContact O-CG 3.46Å; A571-L575 PolarHBondContact O-N 2.72Å |
| 576 | S | 87.1 | Confident | 87.4 | Confident | 76 Ų | 76 | 42.4 Ų | 42.4 | 53% | 0.531 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -74 | -38.2 | -176.8 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | T572 F573 N580 | T572-S576 WeakPolarHBondContact O-CB 3.16Å; T572-S576 PolarHBondContact O-N 2.43Å; T572-S576 PolarHBondContact O-OG 2.84Å; T572-S576 VanDerWaalsContact O-OG 3.08Å; F573-S576 PolarHBondContact O-OG 2.91Å; S576-N580 PolarHBondContact OG-ND2 3.04Å |
| 577 | D | 85.2 | Confident | 87.7 | Confident | 70 Ų | 70 | 42.4 Ų | 42.4 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | trans | -144.9 | 126.7 | -179.6 | -166.3 | -37.7 | 0 | 0 | 0 | 108.9 | S579 N580 | D577-S579 PolarHBondContact O-N 2.97Å; D577-S579 VanDerWaalsContact O-N 3.12Å; D577-S579 WeakPolarHBondContact OD1-CB 3.18Å; D577-S579 PolarHBondContact OD1-N 3.3Å; D577-S579 PolarHBondContact OD1-OG 3.48Å; D577-S579 PolarHBondContact OD2-OG 3.09Å; D577-N580 WeakPolarHBondContact O-CB 3.39Å; D577-N580 PolarHBondContact O-N 3.34Å | ||
| 578 | P | 79.2 | Confident | 87.8 | Confident | 130 Ų | 130 | 41.5 Ų | 41.5 | 84% | 0.844 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -18.9 | 175.7 | -21.9 | 31.9 | 0 | 0 | 0 | 114.5 | ||
| 579 | S | 81.2 | Confident | 87.8 | Confident | 85 Ų | 85 | 39.8 Ų | 39.8 | 59% | 0.594 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -13.7 | 176.5 | 65.2 | 0 | 0 | 0 | 0 | 113.9 | D577 E581 | D577-S579 PolarHBondContact O-N 2.97Å; D577-S579 VanDerWaalsContact O-N 3.12Å; D577-S579 WeakPolarHBondContact OD1-CB 3.18Å; D577-S579 PolarHBondContact OD1-N 3.3Å; D577-S579 PolarHBondContact OD1-OG 3.48Å; D577-S579 PolarHBondContact OD2-OG 3.09Å; S579-E581 PolarHBondContact O-N 3.27Å |
| 580 | N | 84.6 | Confident | 87.8 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | trans | -78.1 | 120.9 | 177.9 | -72.2 | -20.3 | 0 | 0 | 0 | 110 | F573 L574 S576 D577 | F573-N580 HydrophobicContact CD1-CB 4.04Å; F573-N580 HydrophobicContact CD2-CB 4.38Å; F573-N580 HydrophobicContact CE1-CB 3.73Å; F573-N580 HydrophobicContact CE2-CB 4.09Å; F573-N580 HydrophobicContact CG-CB 4.36Å; F573-N580 HydrophobicContact CZ-CB 3.76Å; F573-N580 WeakPolarHBondContact O-CB 3.46Å; F573-N580 PolarHBondContact O-ND2 3.23Å; L574-N580 WeakPolarHBondContact CD2-O 3.48Å; S576-N580 PolarHBondContact OG-ND2 3.04Å; D577-N580 WeakPolarHBondContact O-CB 3.39Å; D577-N580 PolarHBondContact O-N 3.34Å | ||
| 581 | E | 84.5 | Confident | 87.7 | Confident | 105 Ų | 105 | 40.6 Ų | 40.6 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | trans | -117.3 | 138.4 | 175.1 | -64.2 | -177.5 | 167.9 | 0 | 0 | 110.1 | S579 T583 A987 | S579-E581 PolarHBondContact O-N 3.27Å; E581-T583 PolarHBondContact O-N 3.41Å; E581-A987 HydrophobicContact CB-CB 3.88Å | ||
| 582 | L | 86.9 | Confident | 87.7 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | trans | -81.4 | 83.8 | 179.8 | -175.2 | 70.8 | 0 | 0 | 0 | 109.5 | F570 L574 V586 A587 L980 W983 S984 | F570-L582 HydrophobicContact CB-CD1 4.26Å; F570-L582 HydrophobicContact CB-CD2 4.36Å; F570-L582 HydrophobicContact CD1-CD1 3.56Å; F570-L582 HydrophobicContact CD2-CD1 4.41Å; F570-L582 HydrophobicContact CD2-CD2 4.36Å; F570-L582 HydrophobicContact CE1-CD1 3.94Å; F570-L582 HydrophobicContact CG-CD1 3.83Å; F570-L582 HydrophobicContact CG-CD2 4.29Å; L574-L582 HydrophobicContact CD1-CB 4.32Å; L574-L582 HydrophobicContact CD2-CB 4.08Å; L582-V586 HydrophobicContact CD1-CG1 4.31Å; L582-A587 HydrophobicContact CD1-CB 3.98Å; L582-A587 HydrophobicContact CG-CB 4.12Å; L582-L980 HydrophobicContact CD2-CD1 4.5Å; L582-W983 HydrophobicContact CD2-CD2 3.59Å; L582-W983 HydrophobicContact CD2-CE3 3.71Å; L582-W983 HydrophobicContact CD2-CG 4.21Å; L582-W983 HydrophobicContact CD2-CH2 3.95Å; L582-W983 HydrophobicContact CD2-CZ2 3.87Å; L582-W983 HydrophobicContact CD2-CZ3 3.87Å; L582-S984 CarbonylContact O-C 3.55Å; L582-S984 VanDerWaalsContact O-CA 3.26Å; L582-S984 WeakPolarHBondContact O-CA 3.46Å; L582-S984 VanDerWaalsContact O-O 3.07Å | ||
| 583 | T | 89.1 | Confident | 87.7 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 20% | 0.202 | 22% | 0.22 | C | C | . | . | trans | -74.3 | 160.2 | 176.2 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | E581 E585 V586 A587 A987 | E581-T583 PolarHBondContact O-N 3.41Å; T583-E585 PolarHBondContact O-N 2.88Å; T583-V586 PolarHBondContact O-N 3.14Å; T583-V586 VanDerWaalsContact O-N 3.12Å; T583-V586 WeakPolarHBondContact OG1-CG2 3.47Å; T583-V586 PolarHBondContact OG1-N 3.35Å; T583-A587 WeakPolarHBondContact O-CB 3.49Å; T583-A587 PolarHBondContact O-N 2.94Å; T583-A987 HydrophobicContact CG2-CB 4.33Å | ||
| 584 | P | 87.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55 | -40 | 174.2 | -26.8 | 37.5 | 0 | 0 | 0 | 112.5 | I342 E346 A587 F588 S984 L988 A1216 | I342-P584 HydrophobicContact CG2-CB 3.99Å; E346-P584 WeakPolarHBondContact OE1-CD 3.5Å; P584-A587 PolarHBondContact O-N 3.25Å; P584-F588 HydrophobicContact CB-CD2 4.46Å; P584-F588 VanDerWaalsContact O-CD2 3.31Å; P584-F588 WeakPolarHBondContact O-CD2 3.2Å; P584-F588 PolarHBondContact O-N 3.05Å; P584-S984 VanDerWaalsContact CD-O 3.24Å; P584-S984 WeakPolarHBondContact CD-O 3.43Å; P584-L988 HydrophobicContact CG-CD1 4.17Å; P584-A1216 HydrophobicContact CB-CB 4.19Å; P584-A1216 HydrophobicContact CG-CB 4.11Å |
| 585 | E | 89.7 | Confident | 87.3 | Confident | 21 Ų | 21 | 38.8 Ų | 38.8 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.9 | -52.2 | 174.5 | -174.2 | -173.8 | 145.1 | 0 | 0 | 111.4 | R339 I342 Q343 T583 V589 | R339-E585 HydrophobicContact CG-CG 3.71Å; R339-E585 WeakPolarHBondContact CG-OE1 3.34Å; R339-E585 IonicContact CZ-OE1 3.68Å; R339-E585 IonicContact NE-OE1 2.89Å; R339-E585 PolarHBondContact NE-OE1 3.45Å; R339-E585 IonicContact NH2-OE1 3.09Å; R339-E585 PolarHBondContact NH2-OE1 3.28Å; I342-E585 HydrophobicContact CG2-CB 4.14Å; Q343-E585 WeakPolarHBondContact CG-OE2 3.35Å; Q343-E585 VanDerWaalsContact NE2-CD 3.26Å; Q343-E585 PolarHBondContact NE2-OE1 3.31Å; Q343-E585 VanDerWaalsContact NE2-OE1 3.12Å; Q343-E585 PolarHBondContact NE2-OE2 3.28Å; T583-E585 PolarHBondContact O-N 2.88Å; E585-V589 WeakPolarHBondContact O-CB 3.48Å; E585-V589 WeakPolarHBondContact O-CG2 3.35Å; E585-V589 PolarHBondContact O-N 3.34Å |
| 586 | V | 90.4 | Very high | 87.3 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | -177.7 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | N453 L454 F573 L582 T583 S590 | N453-V586 PolarHBondContact ND2-O 3.22Å; N453-V586 VanDerWaalsContact ND2-O 3.16Å; L454-V586 HydrophobicContact CD2-CG1 3.56Å; F573-V586 HydrophobicContact CE1-CG1 4.17Å; F573-V586 HydrophobicContact CZ-CG1 4.39Å; L582-V586 HydrophobicContact CD1-CG1 4.31Å; T583-V586 PolarHBondContact O-N 3.14Å; T583-V586 VanDerWaalsContact O-N 3.12Å; T583-V586 WeakPolarHBondContact OG1-CG2 3.47Å; T583-V586 PolarHBondContact OG1-N 3.35Å; V586-S590 WeakPolarHBondContact O-CB 3.38Å; V586-S590 PolarHBondContact O-N 2.92Å; V586-S590 PolarHBondContact O-OG 3.41Å |
| 587 | A | 90.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.8 | -54.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F570 L582 T583 P584 L591 | F570-A587 HydrophobicContact CZ-CB 4.46Å; L582-A587 HydrophobicContact CD1-CB 3.98Å; L582-A587 HydrophobicContact CG-CB 4.12Å; T583-A587 WeakPolarHBondContact O-CB 3.49Å; T583-A587 PolarHBondContact O-N 2.94Å; P584-A587 PolarHBondContact O-N 3.25Å; A587-L591 WeakPolarHBondContact O-CB 3.47Å; A587-L591 PolarHBondContact O-N 3.44Å |
| 588 | F | 91 | Very high | 87 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -80.9 | -30.3 | -170.6 | -71.2 | -69.1 | 0 | 0 | 0 | 113.9 | I342 P584 L591 S592 A981 G1217 G1220 L1221 | I342-F588 HydrophobicContact CD1-CB 3.92Å; P584-F588 HydrophobicContact CB-CD2 4.46Å; P584-F588 VanDerWaalsContact O-CD2 3.31Å; P584-F588 WeakPolarHBondContact O-CD2 3.2Å; P584-F588 PolarHBondContact O-N 3.05Å; F588-L591 HydrophobicContact CD1-CD2 4.34Å; F588-S592 WeakPolarHBondContact O-CB 3.27Å; F588-S592 PolarHBondContact O-N 2.9Å; F588-S592 PolarHBondContact O-OG 3.44Å; F588-A981 HydrophobicContact CE2-CB 4.46Å; F588-A981 HydrophobicContact CZ-CB 3.88Å; F588-G1217 WeakPolarHBondContact CE2-O 3.47Å; F588-G1217 WeakPolarHBondContact CZ-O 3.41Å; F588-G1220 VanDerWaalsContact CG-C 3.49Å; F588-L1221 HydrophobicContact CD1-CB 4.48Å; F588-L1221 HydrophobicContact CE1-CB 3.63Å; F588-L1221 HydrophobicContact CE1-CD1 3.91Å; F588-L1221 HydrophobicContact CE1-CG 4.4Å; F588-L1221 HydrophobicContact CZ-CB 3.68Å; F588-L1221 HydrophobicContact CZ-CD1 4.45Å |
| 589 | V | 90.8 | Very high | 87 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67 | -43.9 | 171.3 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | P335 R339 E585 S592 L593 | P335-V589 HydrophobicContact CB-CG1 4.45Å; R339-V589 HydrophobicContact CB-CG2 3.73Å; R339-V589 HydrophobicContact CG-CG2 4.17Å; E585-V589 WeakPolarHBondContact O-CB 3.48Å; E585-V589 WeakPolarHBondContact O-CG2 3.35Å; E585-V589 PolarHBondContact O-N 3.34Å; V589-S592 PolarHBondContact O-N 3.33Å; V589-L593 HydrophobicContact CG1-CD1 4.05Å; V589-L593 WeakPolarHBondContact O-CG 3.34Å; V589-L593 PolarHBondContact O-N 3.18Å |
| 590 | S | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | N453 L454 V586 S592 L593 F594 | N453-S590 PolarHBondContact ND2-OG 2.93Å; L454-S590 WeakPolarHBondContact CD1-OG 3.27Å; L454-S590 WeakPolarHBondContact CG-OG 3.48Å; V586-S590 WeakPolarHBondContact O-CB 3.38Å; V586-S590 PolarHBondContact O-N 2.92Å; V586-S590 PolarHBondContact O-OG 3.41Å; S590-S592 VanDerWaalsContact C-N 3.33Å; S590-S592 PolarHBondContact O-N 3.3Å; S590-L593 PolarHBondContact O-N 3.26Å; S590-F594 WeakPolarHBondContact O-CD2 3.25Å; S590-F594 WeakPolarHBondContact O-CG 3.37Å; S590-F594 PolarHBondContact O-N 3.46Å |
| 591 | L | 88.2 | Confident | 86.9 | Confident | 16 Ų | 16 | 21.9 Ų | 21.9 | 8% | 0.084 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 176.8 | -173.3 | 64.6 | 0 | 0 | 0 | 111.9 | A587 F588 F594 N595 L980 T1224 | A587-L591 WeakPolarHBondContact O-CB 3.47Å; A587-L591 PolarHBondContact O-N 3.44Å; F588-L591 HydrophobicContact CD1-CD2 4.34Å; L591-F594 PolarHBondContact O-N 3.29Å; L591-N595 VanDerWaalsContact O-CG 3.25Å; L591-N595 PolarHBondContact O-N 3.22Å; L591-N595 PolarHBondContact O-ND2 3.06Å; L591-L980 HydrophobicContact CD2-CD2 4.07Å; L591-T1224 HydrophobicContact CD2-CG2 4.17Å; L591-T1224 HydrophobicContact CG-CG2 4.37Å |
| 592 | S | 88.3 | Confident | 86.4 | Confident | 6 Ų | 6 | 18.6 Ų | 18.6 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.6 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | L338 F588 V589 S590 N595 I596 T1224 | L338-S592 WeakPolarHBondContact CD2-OG 3.4Å; F588-S592 WeakPolarHBondContact O-CB 3.27Å; F588-S592 PolarHBondContact O-N 2.9Å; F588-S592 PolarHBondContact O-OG 3.44Å; V589-S592 PolarHBondContact O-N 3.33Å; S590-S592 VanDerWaalsContact C-N 3.33Å; S590-S592 PolarHBondContact O-N 3.3Å; S592-N595 PolarHBondContact O-N 3.26Å; S592-I596 WeakPolarHBondContact O-CG1 3.05Å; S592-I596 PolarHBondContact O-N 3.17Å; S592-I596 VanDerWaalsContact O-N 3.08Å; S592-T1224 WeakPolarHBondContact OG-CG2 3.37Å; S592-T1224 PolarHBondContact OG-OG1 2.92Å |
| 593 | L | 90.1 | Very high | 86.1 | Confident | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.7 | -38.8 | 176.7 | -71.2 | 168.7 | 0 | 0 | 0 | 112.2 | F332 P335 F449 L450 V589 S590 N595 I596 L597 | F332-L593 HydrophobicContact CD1-CD2 4.21Å; F332-L593 HydrophobicContact CE1-CD2 4.41Å; P335-L593 HydrophobicContact CB-CD2 4.1Å; P335-L593 HydrophobicContact CB-CG 4.19Å; P335-L593 HydrophobicContact CG-CD2 4.02Å; P335-L593 HydrophobicContact CG-CG 4.42Å; F449-L593 HydrophobicContact CB-CD1 3.78Å; F449-L593 HydrophobicContact CB-CD2 3.99Å; F449-L593 HydrophobicContact CD2-CD2 4.47Å; L450-L593 HydrophobicContact CD1-CB 4.35Å; L450-L593 HydrophobicContact CD2-CB 3.65Å; L450-L593 HydrophobicContact CD2-CD1 3.96Å; L450-L593 HydrophobicContact CD2-CG 4.48Å; L450-L593 HydrophobicContact CG-CB 3.79Å; L450-L593 HydrophobicContact CG-CD1 4.02Å; V589-L593 HydrophobicContact CG1-CD1 4.05Å; V589-L593 WeakPolarHBondContact O-CG 3.34Å; V589-L593 PolarHBondContact O-N 3.18Å; S590-L593 PolarHBondContact O-N 3.26Å; L593-N595 VanDerWaalsContact C-N 3.35Å; L593-I596 PolarHBondContact O-N 2.89Å; L593-L597 WeakPolarHBondContact O-CB 3.38Å; L593-L597 PolarHBondContact O-N 3.08Å |
| 594 | F | 87.3 | Confident | 85.5 | Confident | 12 Ų | 12 | 22 Ų | 22 | 5% | 0.053 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 173.2 | -71.8 | -51 | 0 | 0 | 0 | 112 | L450 L454 M465 I565 S590 L591 L597 Q598 | L450-F594 HydrophobicContact CD1-CD1 3.81Å; L450-F594 HydrophobicContact CD1-CE1 3.67Å; L450-F594 HydrophobicContact CD1-CZ 4.43Å; L450-F594 HydrophobicContact CD2-CD1 4.25Å; L450-F594 HydrophobicContact CD2-CD2 4.48Å; L450-F594 HydrophobicContact CD2-CE1 3.98Å; L450-F594 HydrophobicContact CD2-CE2 4.21Å; L450-F594 HydrophobicContact CD2-CG 4.49Å; L450-F594 HydrophobicContact CD2-CZ 3.95Å; L450-F594 HydrophobicContact CG-CE1 4.48Å; L454-F594 HydrophobicContact CD1-CE2 4.16Å; L454-F594 HydrophobicContact CD1-CZ 4.03Å; M465-F594 HydrophobicContact CE-CB 4.4Å; M465-F594 HydrophobicContact CE-CD1 3.73Å; M465-F594 HydrophobicContact CE-CG 4.47Å; I565-F594 HydrophobicContact CG2-CD1 3.8Å; I565-F594 HydrophobicContact CG2-CD2 4.36Å; I565-F594 HydrophobicContact CG2-CE1 3.76Å; I565-F594 HydrophobicContact CG2-CE2 4.33Å; I565-F594 HydrophobicContact CG2-CG 4.12Å; I565-F594 HydrophobicContact CG2-CZ 4.04Å; S590-F594 WeakPolarHBondContact O-CD2 3.25Å; S590-F594 WeakPolarHBondContact O-CG 3.37Å; S590-F594 PolarHBondContact O-N 3.46Å; L591-F594 PolarHBondContact O-N 3.29Å; F594-L597 PolarHBondContact O-N 3.3Å; F594-Q598 PolarHBondContact O-N 2.98Å |
| 595 | N | 83.8 | Confident | 84.9 | Confident | 50 Ų | 50 | 25.1 Ų | 25.1 | 27% | 0.267 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 175.2 | -72 | -19.9 | 0 | 0 | 0 | 112 | L591 S592 L593 Q598 | L591-N595 VanDerWaalsContact O-CG 3.25Å; L591-N595 PolarHBondContact O-N 3.22Å; L591-N595 PolarHBondContact O-ND2 3.06Å; S592-N595 PolarHBondContact O-N 3.26Å; L593-N595 VanDerWaalsContact C-N 3.35Å; N595-Q598 PolarHBondContact O-N 2.95Å |
| 596 | I | 86.3 | Confident | 84.3 | Confident | 25 Ų | 25 | 27.9 Ų | 27.9 | 13% | 0.128 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 173.9 | -67.5 | 169.1 | 0 | 0 | 0 | 110.4 | F332 P335 S592 L593 Q598 P600 | F332-I596 HydrophobicContact CE1-CG2 3.83Å; F332-I596 HydrophobicContact CE2-CG2 4.34Å; F332-I596 HydrophobicContact CZ-CG2 3.67Å; P335-I596 HydrophobicContact CG-CD1 3.51Å; S592-I596 WeakPolarHBondContact O-CG1 3.05Å; S592-I596 PolarHBondContact O-N 3.17Å; S592-I596 VanDerWaalsContact O-N 3.08Å; L593-I596 PolarHBondContact O-N 2.89Å; I596-Q598 VanDerWaalsContact C-N 3.3Å; I596-Q598 PolarHBondContact O-N 3.36Å; I596-P600 WeakPolarHBondContact O-CD 3.22Å |
| 597 | L | 85.7 | Confident | 83.8 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.3 | -27.5 | -179.2 | -177.7 | 57.7 | 0 | 0 | 0 | 113.3 | V443 A446 L450 M465 L593 F594 L599 P600 I601 | V443-L597 HydrophobicContact CB-CD1 4.18Å; V443-L597 HydrophobicContact CG1-CD1 4.17Å; V443-L597 HydrophobicContact CG2-CD1 3.85Å; A446-L597 HydrophobicContact CB-CB 4.11Å; A446-L597 HydrophobicContact CB-CD1 3.98Å; A446-L597 HydrophobicContact CB-CD2 4.49Å; A446-L597 HydrophobicContact CB-CG 4.42Å; L450-L597 HydrophobicContact CD1-CD2 4.09Å; M465-L597 HydrophobicContact CE-CB 4.34Å; M465-L597 HydrophobicContact CE-CD2 3.8Å; M465-L597 HydrophobicContact CE-CG 4.04Å; M465-L597 HydrophobicContact SD-CD2 3.57Å; M465-L597 VanDerWaalsContact SD-CD2 3.57Å; M465-L597 HydrophobicContact SD-CG 3.98Å; L593-L597 WeakPolarHBondContact O-CB 3.38Å; L593-L597 PolarHBondContact O-N 3.08Å; F594-L597 PolarHBondContact O-N 3.3Å; L597-L599 PolarHBondContact O-N 3.02Å; L597-P600 VanDerWaalsContact O-CD 3.3Å; L597-P600 WeakPolarHBondContact O-CD 3.37Å; L597-P600 WeakPolarHBondContact O-CG 3.39Å; L597-I601 HydrophobicContact CD1-CD1 3.84Å; L597-I601 HydrophobicContact CD1-CG1 4.23Å; L597-I601 HydrophobicContact CD2-CD1 4.36Å; L597-I601 HydrophobicContact CG-CD1 3.72Å; L597-I601 HydrophobicContact CG-CG1 4.49Å; L597-I601 WeakPolarHBondContact O-CG1 3.32Å |
| 598 | Q | 80.5 | Confident | 83.2 | Confident | 56 Ų | 56 | 31.4 Ų | 31.4 | 26% | 0.262 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.4 | -42 | -178.7 | -172.3 | 177.1 | -1.2 | 0 | 0 | 112.5 | W558 F594 N595 I596 T602 | W558-Q598 HydrophobicContact CZ3-CG 3.96Å; F594-Q598 PolarHBondContact O-N 2.98Å; N595-Q598 PolarHBondContact O-N 2.95Å; I596-Q598 VanDerWaalsContact C-N 3.3Å; I596-Q598 PolarHBondContact O-N 3.36Å; Q598-T602 WeakPolarHBondContact O-CB 3.46Å; Q598-T602 PolarHBondContact O-N 2.96Å; Q598-T602 PolarHBondContact O-OG1 3.35Å |
| 599 | L | 78.8 | Confident | 82.5 | Confident | 70 Ų | 70 | 33.4 Ų | 33.4 | 37% | 0.366 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61 | -55.3 | -176.5 | -175.8 | 70.1 | 0 | 0 | 0 | 113.4 | L597 I601 T602 L603 | L597-L599 PolarHBondContact O-N 3.02Å; L599-I601 VanDerWaalsContact C-N 3.31Å; L599-I601 PolarHBondContact O-N 3.37Å; L599-T602 WeakPolarHBondContact O-CB 3.03Å; L599-T602 PolarHBondContact O-N 3.05Å; L599-T602 VanDerWaalsContact O-N 3.17Å; L599-L603 HydrophobicContact CD1-CD1 3.83Å; L599-L603 HydrophobicContact CD1-CG 4.11Å; L599-L603 HydrophobicContact CD2-CD1 4.38Å; L599-L603 HydrophobicContact CG-CD1 3.77Å; L599-L603 HydrophobicContact CG-CG 4.34Å; L599-L603 WeakPolarHBondContact O-CB 3.36Å; L599-L603 WeakPolarHBondContact O-CG 3.35Å; L599-L603 PolarHBondContact O-N 3.02Å |
| 600 | P | 83.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | -179.6 | 22.8 | -32.6 | 0 | 0 | 0 | 111.9 | A439 E442 V443 I596 L597 T602 L603 I604 | A439-P600 HydrophobicContact CB-CB 3.83Å; E442-P600 HydrophobicContact CB-CB 4.5Å; E442-P600 HydrophobicContact CB-CG 4.22Å; V443-P600 HydrophobicContact CG2-CB 4.23Å; V443-P600 HydrophobicContact CG2-CG 4.17Å; I596-P600 WeakPolarHBondContact O-CD 3.22Å; L597-P600 VanDerWaalsContact O-CD 3.3Å; L597-P600 WeakPolarHBondContact O-CD 3.37Å; L597-P600 WeakPolarHBondContact O-CG 3.39Å; P600-T602 VanDerWaalsContact C-N 3.32Å; P600-T602 PolarHBondContact O-N 3.08Å; P600-L603 PolarHBondContact O-N 2.63Å; P600-I604 WeakPolarHBondContact O-CD1 3.29Å; P600-I604 WeakPolarHBondContact O-CG1 3.28Å; P600-I604 PolarHBondContact O-N 2.97Å |
| 601 | I | 79 | Confident | 81.7 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 176.8 | -65 | 177.1 | 0 | 0 | 0 | 111 | V443 M465 V469 L597 L599 P605 | V443-I601 HydrophobicContact CG2-CG1 4.45Å; M465-I601 HydrophobicContact CB-CD1 4.39Å; M465-I601 HydrophobicContact SD-CD1 3.65Å; V469-I601 HydrophobicContact CG2-CG2 3.87Å; L597-I601 HydrophobicContact CD1-CD1 3.84Å; L597-I601 HydrophobicContact CD1-CG1 4.23Å; L597-I601 HydrophobicContact CD2-CD1 4.36Å; L597-I601 HydrophobicContact CG-CD1 3.72Å; L597-I601 HydrophobicContact CG-CG1 4.49Å; L597-I601 WeakPolarHBondContact O-CG1 3.32Å; L599-I601 VanDerWaalsContact C-N 3.31Å; L599-I601 PolarHBondContact O-N 3.37Å; I601-P605 VanDerWaalsContact O-CD 3.27Å; I601-P605 WeakPolarHBondContact O-CD 3.37Å |
| 602 | T | 75.6 | Confident | 81.4 | Confident | 37 Ų | 37 | 41.6 Ų | 41.6 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -38.4 | 176.8 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | W558 Q598 L599 P600 P605 | W558-T602 HydrophobicContact CH2-CG2 3.74Å; W558-T602 WeakPolarHBondContact CH2-OG1 3.43Å; W558-T602 HydrophobicContact CZ2-CG2 3.54Å; W558-T602 HydrophobicContact CZ3-CG2 4.37Å; W558-T602 WeakPolarHBondContact CZ3-OG1 2.93Å; Q598-T602 WeakPolarHBondContact O-CB 3.46Å; Q598-T602 PolarHBondContact O-N 2.96Å; Q598-T602 PolarHBondContact O-OG1 3.35Å; L599-T602 WeakPolarHBondContact O-CB 3.03Å; L599-T602 PolarHBondContact O-N 3.05Å; L599-T602 VanDerWaalsContact O-N 3.17Å; P600-T602 VanDerWaalsContact C-N 3.32Å; P600-T602 PolarHBondContact O-N 3.08Å; T602-P605 WeakPolarHBondContact O-CD 3.48Å |
| 603 | L | 79 | Confident | 81.2 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 19% | 0.194 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.4 | -28.6 | -174.8 | -70.3 | 177.9 | 0 | 0 | 0 | 113 | L435 L599 P600 I606 I607 | L435-L603 HydrophobicContact CD2-CB 4.26Å; L435-L603 HydrophobicContact CD2-CD1 3.68Å; L599-L603 HydrophobicContact CD1-CD1 3.83Å; L599-L603 HydrophobicContact CD1-CG 4.11Å; L599-L603 HydrophobicContact CD2-CD1 4.38Å; L599-L603 HydrophobicContact CG-CD1 3.77Å; L599-L603 HydrophobicContact CG-CG 4.34Å; L599-L603 WeakPolarHBondContact O-CB 3.36Å; L599-L603 WeakPolarHBondContact O-CG 3.35Å; L599-L603 PolarHBondContact O-N 3.02Å; P600-L603 PolarHBondContact O-N 2.63Å; L603-I606 HydrophobicContact CD2-CD1 4.37Å; L603-I606 WeakPolarHBondContact O-CB 3.39Å; L603-I606 PolarHBondContact O-N 3.43Å; L603-I607 HydrophobicContact CB-CD1 4.05Å; L603-I607 HydrophobicContact CB-CG1 4.48Å; L603-I607 VanDerWaalsContact O-CG1 3.23Å; L603-I607 WeakPolarHBondContact O-CG1 3.44Å; L603-I607 PolarHBondContact O-N 2.93Å |
| 604 | I | 77.7 | Confident | 81 | Confident | 73 Ų | 73 | 45.8 Ų | 45.8 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -51.3 | -51.9 | -178.5 | -76.7 | 160.5 | 0 | 0 | 0 | 112.5 | A439 P600 I606 I607 V608 | A439-I604 HydrophobicContact CB-CG1 4.29Å; P600-I604 WeakPolarHBondContact O-CD1 3.29Å; P600-I604 WeakPolarHBondContact O-CG1 3.28Å; P600-I604 PolarHBondContact O-N 2.97Å; I604-I606 VanDerWaalsContact C-N 3.29Å; I604-I606 PolarHBondContact O-N 3.31Å; I604-I607 PolarHBondContact O-N 2.93Å; I604-V608 VanDerWaalsContact O-CG2 3.31Å; I604-V608 WeakPolarHBondContact O-CG2 3.49Å; I604-V608 PolarHBondContact O-N 3.32Å |
| 605 | P | 74.3 | Confident | 81 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 42% | 0.422 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.9 | -38.9 | 176.9 | -25.7 | 34.2 | 0 | 0 | 0 | 113.7 | I601 T602 V608 A609 | I601-P605 VanDerWaalsContact O-CD 3.27Å; I601-P605 WeakPolarHBondContact O-CD 3.37Å; T602-P605 WeakPolarHBondContact O-CD 3.48Å; P605-V608 PolarHBondContact O-N 3.35Å; P605-A609 PolarHBondContact O-N 3.02Å |
| 606 | I | 77.1 | Confident | 81.2 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 179.9 | -61.3 | 173.1 | 0 | 0 | 0 | 110.5 | L603 I604 V608 A609 F610 | L603-I606 HydrophobicContact CD2-CD1 4.37Å; L603-I606 WeakPolarHBondContact O-CB 3.39Å; L603-I606 PolarHBondContact O-N 3.43Å; I604-I606 VanDerWaalsContact C-N 3.29Å; I604-I606 PolarHBondContact O-N 3.31Å; I606-V608 VanDerWaalsContact C-N 3.3Å; I606-V608 PolarHBondContact O-N 3.16Å; I606-A609 PolarHBondContact O-N 3.49Å; I606-F610 HydrophobicContact CG2-CD2 3.83Å; I606-F610 HydrophobicContact CG2-CE2 3.52Å; I606-F610 HydrophobicContact CG2-CZ 4.1Å; I606-F610 PolarHBondContact O-N 3.25Å |
| 607 | I | 81.1 | Confident | 81.4 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 176.9 | -62.6 | 160.4 | 0 | 0 | 0 | 110.2 | L435 V436 L603 I604 F610 A611 | L435-I607 HydrophobicContact CB-CD1 3.99Å; L435-I607 HydrophobicContact CD2-CD1 3.43Å; L435-I607 VanDerWaalsContact CD2-CD1 3.43Å; L435-I607 HydrophobicContact CD2-CG1 4.17Å; L435-I607 HydrophobicContact CG-CD1 3.56Å; V436-I607 HydrophobicContact CG2-CG2 3.66Å; L603-I607 HydrophobicContact CB-CD1 4.05Å; L603-I607 HydrophobicContact CB-CG1 4.48Å; L603-I607 VanDerWaalsContact O-CG1 3.23Å; L603-I607 WeakPolarHBondContact O-CG1 3.44Å; L603-I607 PolarHBondContact O-N 2.93Å; I604-I607 PolarHBondContact O-N 2.93Å; I607-F610 PolarHBondContact O-N 2.93Å; I607-A611 VanDerWaalsContact O-CB 3.25Å; I607-A611 WeakPolarHBondContact O-CB 3.29Å; I607-A611 PolarHBondContact O-N 3.35Å |
| 608 | V | 77.8 | Confident | 81.6 | Confident | 79 Ų | 79 | 53 Ų | 53 | 48% | 0.479 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | I604 P605 I606 A611 I612 | I604-V608 VanDerWaalsContact O-CG2 3.31Å; I604-V608 WeakPolarHBondContact O-CG2 3.49Å; I604-V608 PolarHBondContact O-N 3.32Å; P605-V608 PolarHBondContact O-N 3.35Å; I606-V608 VanDerWaalsContact C-N 3.3Å; I606-V608 PolarHBondContact O-N 3.16Å; V608-A611 PolarHBondContact O-N 2.96Å; V608-I612 HydrophobicContact CG1-CD1 3.82Å; V608-I612 HydrophobicContact CG1-CG1 4.48Å; V608-I612 VanDerWaalsContact O-CG1 3.24Å; V608-I612 WeakPolarHBondContact O-CG1 3.35Å; V608-I612 PolarHBondContact O-N 2.9Å |
| 609 | A | 76.4 | Confident | 81.9 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 35% | 0.347 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P605 I606 A611 I612 H613 | P605-A609 PolarHBondContact O-N 3.02Å; I606-A609 PolarHBondContact O-N 3.49Å; A609-A611 PolarHBondContact O-N 3.24Å; A609-I612 PolarHBondContact O-N 3.36Å; A609-H613 PolarHBondContact O-CD2 3.18Å; A609-H613 PolarHBondContact O-N 3.48Å |
| 610 | F | 82.6 | Confident | 82.4 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.7 | -76.8 | -27.4 | 0 | 0 | 0 | 112.7 | V429 Y432 I606 I607 I612 H613 A614 | V429-F610 HydrophobicContact CG1-CB 4.48Å; V429-F610 HydrophobicContact CG2-CB 3.89Å; V429-F610 WeakPolarHBondContact CG2-O 3.27Å; Y432-F610 HydrophobicContact CD2-CD2 4.2Å; Y432-F610 HydrophobicContact CD2-CE2 4.3Å; Y432-F610 HydrophobicContact CE2-CD2 4.49Å; Y432-F610 HydrophobicContact CE2-CE2 4.13Å; I606-F610 HydrophobicContact CG2-CD2 3.83Å; I606-F610 HydrophobicContact CG2-CE2 3.52Å; I606-F610 HydrophobicContact CG2-CZ 4.1Å; I606-F610 PolarHBondContact O-N 3.25Å; I607-F610 PolarHBondContact O-N 2.93Å; F610-I612 VanDerWaalsContact C-N 3.33Å; F610-I612 PolarHBondContact O-N 3.41Å; F610-H613 PolarHBondContact O-N 3.36Å; F610-A614 WeakPolarHBondContact O-CB 3.34Å; F610-A614 PolarHBondContact O-N 3.23Å |
| 611 | A | 82.8 | Confident | 82.6 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 35% | 0.347 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | I607 V608 A609 Y615 | I607-A611 VanDerWaalsContact O-CB 3.25Å; I607-A611 WeakPolarHBondContact O-CB 3.29Å; I607-A611 PolarHBondContact O-N 3.35Å; V608-A611 PolarHBondContact O-N 2.96Å; A609-A611 PolarHBondContact O-N 3.24Å; A611-Y615 VanDerWaalsContact O-CB 3.23Å; A611-Y615 WeakPolarHBondContact O-CB 3.47Å; A611-Y615 PolarHBondContact O-N 3.26Å |
| 612 | I | 82 | Confident | 83.1 | Confident | 95 Ų | 95 | 56.4 Ų | 56.4 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 174.7 | -68.9 | 164.3 | 0 | 0 | 0 | 110.4 | V608 A609 F610 Y615 V616 | V608-I612 HydrophobicContact CG1-CD1 3.82Å; V608-I612 HydrophobicContact CG1-CG1 4.48Å; V608-I612 VanDerWaalsContact O-CG1 3.24Å; V608-I612 WeakPolarHBondContact O-CG1 3.35Å; V608-I612 PolarHBondContact O-N 2.9Å; A609-I612 PolarHBondContact O-N 3.36Å; F610-I612 VanDerWaalsContact C-N 3.33Å; F610-I612 PolarHBondContact O-N 3.41Å; I612-Y615 PolarHBondContact O-N 3.46Å; I612-V616 HydrophobicContact CG2-CG2 4.49Å; I612-V616 WeakPolarHBondContact O-CG2 3.49Å; I612-V616 PolarHBondContact O-N 2.82Å |
| 613 | H | 82.6 | Confident | 83.6 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 177.6 | -70.4 | -47.6 | 0 | 0 | 0 | 112.1 | A609 F610 Y615 V616 S617 | A609-H613 PolarHBondContact O-CD2 3.18Å; A609-H613 PolarHBondContact O-N 3.48Å; F610-H613 PolarHBondContact O-N 3.36Å; H613-Y615 VanDerWaalsContact C-N 3.32Å; H613-Y615 PolarHBondContact O-N 2.66Å; H613-V616 PolarHBondContact O-N 3.38Å; H613-S617 WeakPolarHBondContact O-CB 3.34Å; H613-S617 PolarHBondContact O-N 2.76Å; H613-S617 PolarHBondContact O-OG 3.21Å |
| 614 | A | 87.2 | Confident | 84.1 | Confident | 10 Ų | 10 | 57 Ų | 57 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | I426 V429 F610 S617 L618 | I426-A614 HydrophobicContact CG1-CB 4.49Å; V429-A614 HydrophobicContact CB-CB 4.32Å; V429-A614 HydrophobicContact CG2-CB 3.53Å; F610-A614 WeakPolarHBondContact O-CB 3.34Å; F610-A614 PolarHBondContact O-N 3.23Å; A614-S617 PolarHBondContact O-N 2.91Å; A614-L618 VanDerWaalsContact O-CB 3.24Å; A614-L618 WeakPolarHBondContact O-CB 3.37Å; A614-L618 VanDerWaalsContact O-CG 3.23Å; A614-L618 WeakPolarHBondContact O-CG 3.42Å; A614-L618 PolarHBondContact O-N 3.2Å |
| 615 | Y | 87.5 | Confident | 84.6 | Confident | 156 Ų | 156 | 54.1 Ų | 54.1 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.8 | -45.5 | 175.4 | 175.4 | -103.2 | 0 | 0 | 0 | 111.8 | A611 I612 H613 L618 K619 | A611-Y615 VanDerWaalsContact O-CB 3.23Å; A611-Y615 WeakPolarHBondContact O-CB 3.47Å; A611-Y615 PolarHBondContact O-N 3.26Å; I612-Y615 PolarHBondContact O-N 3.46Å; H613-Y615 VanDerWaalsContact C-N 3.32Å; H613-Y615 PolarHBondContact O-N 2.66Å; Y615-L618 PolarHBondContact O-N 2.93Å; Y615-K619 WeakPolarHBondContact O-CB 3.37Å; Y615-K619 PolarHBondContact O-N 2.85Å |
| 616 | V | 88 | Confident | 85 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 38% | 0.376 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 177.4 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | I612 H613 K619 R620 | I612-V616 HydrophobicContact CG2-CG2 4.49Å; I612-V616 WeakPolarHBondContact O-CG2 3.49Å; I612-V616 PolarHBondContact O-N 2.82Å; H613-V616 PolarHBondContact O-N 3.38Å; V616-K619 PolarHBondContact O-N 3.15Å; V616-R620 WeakPolarHBondContact O-CG 3.37Å; V616-R620 PolarHBondContact O-N 2.87Å; V616-R620 PolarHBondContact O-NE 3.41Å |
| 617 | S | 90.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 175.4 | -66.3 | 0 | 0 | 0 | 0 | 112 | D422 H613 A614 K619 R620 L621 | D422-S617 VanDerWaalsContact CG-OG 3.29Å; D422-S617 PolarHBondContact OD1-OG 3.06Å; H613-S617 WeakPolarHBondContact O-CB 3.34Å; H613-S617 PolarHBondContact O-N 2.76Å; H613-S617 PolarHBondContact O-OG 3.21Å; A614-S617 PolarHBondContact O-N 2.91Å; S617-K619 VanDerWaalsContact C-N 3.33Å; S617-K619 PolarHBondContact O-N 2.99Å; S617-R620 PolarHBondContact O-N 3.49Å; S617-R620 PolarHBondContact OG-NH2 3.21Å; S617-L621 WeakPolarHBondContact O-CB 3.45Å; S617-L621 WeakPolarHBondContact O-CG 3.45Å; S617-L621 PolarHBondContact O-N 2.95Å |
| 618 | L | 89 | Confident | 85.5 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 13% | 0.131 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 173.9 | -77.4 | 168.7 | 0 | 0 | 0 | 112.3 | L305 F306 L309 I426 A614 Y615 S622 | L305-L618 HydrophobicContact CD2-CD2 3.69Å; L305-L618 HydrophobicContact CG-CD2 3.88Å; F306-L618 HydrophobicContact CB-CD1 4.29Å; F306-L618 HydrophobicContact CD2-CD1 4Å; L309-L618 HydrophobicContact CD1-CD2 4.1Å; I426-L618 HydrophobicContact CD1-CD2 3.86Å; I426-L618 HydrophobicContact CD1-CG 3.97Å; I426-L618 HydrophobicContact CG1-CG 4.26Å; A614-L618 VanDerWaalsContact O-CB 3.24Å; A614-L618 WeakPolarHBondContact O-CB 3.37Å; A614-L618 VanDerWaalsContact O-CG 3.23Å; A614-L618 WeakPolarHBondContact O-CG 3.42Å; A614-L618 PolarHBondContact O-N 3.2Å; Y615-L618 PolarHBondContact O-N 2.93Å; L618-S622 WeakPolarHBondContact O-CB 3.48Å; L618-S622 PolarHBondContact O-N 3.36Å |
| 619 | K | 87.9 | Confident | 85.8 | Confident | 129 Ų | 129 | 55.8 Ų | 55.8 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64 | -48.9 | 175.1 | -175.1 | -178.6 | 178.8 | -173.4 | 0 | 110.6 | Y615 V616 S617 S622 T623 | Y615-K619 WeakPolarHBondContact O-CB 3.37Å; Y615-K619 PolarHBondContact O-N 2.85Å; V616-K619 PolarHBondContact O-N 3.15Å; S617-K619 VanDerWaalsContact C-N 3.33Å; S617-K619 PolarHBondContact O-N 2.99Å; K619-S622 PolarHBondContact O-N 3.18Å; K619-T623 PolarHBondContact O-N 2.71Å; K619-T623 PolarHBondContact O-OG1 3.12Å |
| 620 | R | 87.8 | Confident | 86.1 | Confident | 82 Ų | 82 | 55.5 Ų | 55.5 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 176.7 | -80.7 | -175.8 | -78.9 | 159.4 | 8.6 | 111.7 | M418 D422 V616 S617 S622 T623 F624 | M418-R620 HydrophobicContact CE-CB 3.65Å; M418-R620 WeakPolarHBondContact CE-O 3.42Å; D422-R620 IonicContact OD1-CZ 2.71Å; D422-R620 VanDerWaalsContact OD1-CZ 3.31Å; D422-R620 IonicContact OD1-NH1 3.23Å; D422-R620 IonicContact OD1-NH2 3.45Å; D422-R620 PolarHBondContact OD1-NH2 3.34Å; D422-R620 IonicContact OD2-CZ 3.99Å; D422-R620 VanDerWaalsContact OD2-CZ 3.3Å; D422-R620 IonicContact OD2-NE 3.35Å; D422-R620 IonicContact OD2-NH1 2.72Å; D422-R620 PolarHBondContact OD2-NH1 3.16Å; D422-R620 IonicContact OD2-NH2 2.82Å; V616-R620 WeakPolarHBondContact O-CG 3.37Å; V616-R620 PolarHBondContact O-N 2.87Å; V616-R620 PolarHBondContact O-NE 3.41Å; S617-R620 PolarHBondContact O-N 3.49Å; S617-R620 PolarHBondContact OG-NH2 3.21Å; R620-S622 PolarHBondContact O-N 3.06Å; R620-T623 PolarHBondContact O-N 3.42Å; R620-F624 WeakPolarHBondContact O-CB 3.48Å; R620-F624 PolarHBondContact O-N 3.49Å |
| 621 | L | 89.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 175.4 | -71 | 175.7 | 0 | 0 | 0 | 112.6 | L305 L391 I395 M418 I426 S617 F624 L625 | L305-L621 HydrophobicContact CD2-CB 3.66Å; L305-L621 HydrophobicContact CD2-CD1 4.43Å; L391-L621 HydrophobicContact CD1-CD1 4.38Å; L391-L621 HydrophobicContact CD2-CD1 4.46Å; I395-L621 HydrophobicContact CD1-CD2 3.41Å; I395-L621 VanDerWaalsContact CD1-CD2 3.41Å; I395-L621 HydrophobicContact CG1-CD2 3.95Å; M418-L621 HydrophobicContact CB-CD2 4.12Å; M418-L621 HydrophobicContact CG-CD2 4.37Å; M418-L621 HydrophobicContact SD-CD2 4.37Å; I426-L621 HydrophobicContact CD1-CD1 3.48Å; I426-L621 VanDerWaalsContact CD1-CD1 3.48Å; S617-L621 WeakPolarHBondContact O-CB 3.45Å; S617-L621 WeakPolarHBondContact O-CG 3.45Å; S617-L621 PolarHBondContact O-N 2.95Å; L621-F624 PolarHBondContact O-N 3.12Å; L621-L625 WeakPolarHBondContact O-CB 3.31Å; L621-L625 VanDerWaalsContact O-CG 3.26Å; L621-L625 WeakPolarHBondContact O-CG 3.2Å; L621-L625 PolarHBondContact O-N 2.7Å |
| 622 | S | 88.6 | Confident | 85.4 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.2 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | L618 K619 R620 N626 | L618-S622 WeakPolarHBondContact O-CB 3.48Å; L618-S622 PolarHBondContact O-N 3.36Å; K619-S622 PolarHBondContact O-N 3.18Å; R620-S622 PolarHBondContact O-N 3.06Å; S622-N626 WeakPolarHBondContact O-CB 3.44Å; S622-N626 VanDerWaalsContact O-CG 3.27Å; S622-N626 PolarHBondContact O-N 3.46Å; S622-N626 VanDerWaalsContact O-N 3.11Å; S622-N626 PolarHBondContact O-ND2 3.24Å; S622-N626 PolarHBondContact OG-ND2 2.84Å |
| 623 | T | 86.5 | Confident | 85.2 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 52% | 0.521 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.3 | -48.3 | 173.6 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | K619 R620 N626 L627 | K619-T623 PolarHBondContact O-N 2.71Å; K619-T623 PolarHBondContact O-OG1 3.12Å; R620-T623 PolarHBondContact O-N 3.42Å; T623-N626 PolarHBondContact O-N 3.1Å; T623-L627 PolarHBondContact O-N 3.08Å |
| 624 | F | 89.4 | Confident | 84.9 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 178.2 | 176.1 | -100.6 | 0 | 0 | 0 | 113.6 | I395 K398 A399 L402 T410 M415 M418 R620 L621 N626 L627 | I395-F624 HydrophobicContact CB-CE1 4.33Å; I395-F624 HydrophobicContact CG1-CE1 4.42Å; I395-F624 HydrophobicContact CG2-CE1 3.86Å; I395-F624 HydrophobicContact CG2-CZ 4.29Å; K398-F624 HydrophobicContact CB-CE1 3.82Å; K398-F624 HydrophobicContact CB-CZ 4.38Å; K398-F624 WeakPolarHBondContact CE-O 3.47Å; K398-F624 HydrophobicContact CG-CD1 4.2Å; K398-F624 HydrophobicContact CG-CE1 3.75Å; K398-F624 HydrophobicContact CG-CZ 4.16Å; A399-F624 HydrophobicContact CB-CZ 4.46Å; L402-F624 HydrophobicContact CD1-CE2 3.6Å; L402-F624 HydrophobicContact CD1-CZ 3.88Å; T410-F624 HydrophobicContact CG2-CD2 4.37Å; M415-F624 HydrophobicContact CG-CE2 3.67Å; M415-F624 HydrophobicContact CG-CZ 4.16Å; M415-F624 HydrophobicContact SD-CE2 3.78Å; M415-F624 HydrophobicContact SD-CZ 4.01Å; M418-F624 HydrophobicContact CE-CB 3.75Å; M418-F624 HydrophobicContact CE-CG 4.39Å; M418-F624 HydrophobicContact SD-CB 3.87Å; M418-F624 HydrophobicContact SD-CD1 4.38Å; M418-F624 HydrophobicContact SD-CD2 4.08Å; M418-F624 HydrophobicContact SD-CG 3.86Å; R620-F624 WeakPolarHBondContact O-CB 3.48Å; R620-F624 PolarHBondContact O-N 3.49Å; L621-F624 PolarHBondContact O-N 3.12Å; F624-N626 PolarHBondContact O-N 3.41Å; F624-L627 HydrophobicContact CD2-CD1 3.98Å; F624-L627 WeakPolarHBondContact O-CB 3.25Å; F624-L627 PolarHBondContact O-N 2.76Å; F624-L627 VanDerWaalsContact O-N 3.14Å |
| 625 | L | 87.6 | Confident | 84.6 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -24 | 179.3 | -70.6 | 174.3 | 0 | 0 | 0 | 113 | W258 W262 L305 A394 K398 L621 | W258-L625 HydrophobicContact CZ2-CD1 4.47Å; W262-L625 HydrophobicContact CZ2-CB 3.91Å; W262-L625 HydrophobicContact CZ2-CD1 4.33Å; L305-L625 HydrophobicContact CD1-CD1 4.05Å; L305-L625 HydrophobicContact CD2-CD1 4.35Å; A394-L625 HydrophobicContact CB-CD2 4.47Å; K398-L625 HydrophobicContact CB-CD2 3.97Å; K398-L625 VanDerWaalsContact CE-O 3.27Å; K398-L625 WeakPolarHBondContact CE-O 3.38Å; K398-L625 HydrophobicContact CG-CD2 4.23Å; K398-L625 PolarHBondContact NZ-O 2.89Å; L621-L625 WeakPolarHBondContact O-CB 3.31Å; L621-L625 VanDerWaalsContact O-CG 3.26Å; L621-L625 WeakPolarHBondContact O-CG 3.2Å; L621-L625 PolarHBondContact O-N 2.7Å |
| 626 | N | 84.2 | Confident | 84.4 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 0.8 | 176.9 | -68.1 | -46.3 | 0 | 0 | 0 | 113.7 | S622 T623 F624 | S622-N626 WeakPolarHBondContact O-CB 3.44Å; S622-N626 VanDerWaalsContact O-CG 3.27Å; S622-N626 PolarHBondContact O-N 3.46Å; S622-N626 VanDerWaalsContact O-N 3.11Å; S622-N626 PolarHBondContact O-ND2 3.24Å; S622-N626 PolarHBondContact OG-ND2 2.84Å; T623-N626 PolarHBondContact O-N 3.1Å; F624-N626 PolarHBondContact O-N 3.41Å |
| 627 | L | 84.3 | Confident | 83.9 | Confident | 26 Ų | 26 | 58.4 Ų | 58.4 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -60.6 | 156.7 | 172.1 | -71.6 | 174.5 | 0 | 0 | 0 | 111.3 | K398 L402 T410 T623 F624 | K398-L627 VanDerWaalsContact CE-O 3.32Å; K398-L627 WeakPolarHBondContact CE-O 3.36Å; K398-L627 PolarHBondContact NZ-O 3.02Å; L402-L627 HydrophobicContact CD2-CB 3.74Å; L402-L627 HydrophobicContact CD2-CD1 4.08Å; T410-L627 HydrophobicContact CG2-CD1 3.68Å; T623-L627 PolarHBondContact O-N 3.08Å; F624-L627 HydrophobicContact CD2-CD1 3.98Å; F624-L627 WeakPolarHBondContact O-CB 3.25Å; F624-L627 PolarHBondContact O-N 2.76Å; F624-L627 VanDerWaalsContact O-N 3.14Å |
| 628 | E | 83.3 | Confident | 83.3 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -66 | 137.1 | -177.9 | -163.2 | 179.1 | -159.2 | 0 | 0 | 111.2 | S403 S406 Y699 | S403-E628 PolarHBondContact N-O 3.46Å; S403-E628 VanDerWaalsContact N-O 3.16Å; S406-E628 PolarHBondContact OG-N 3Å; S406-E628 PolarHBondContact OG-O 3.29Å; E628-Y699 PolarHBondContact OE2-OH 3.18Å |
| 629 | E | 85.2 | Confident | 82.4 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -94.4 | 155 | 175.9 | -62.8 | -176.3 | -175.5 | 0 | 0 | 109.8 | K398 R401 D631 | K398-E629 HydrophobicContact CD-CG 4.43Å; K398-E629 WeakPolarHBondContact CD-OE1 3.35Å; K398-E629 IonicContact NZ-OE1 3.23Å; K398-E629 PolarHBondContact NZ-OE1 3.38Å; R401-E629 HydrophobicContact CB-CB 4.38Å; R401-E629 HydrophobicContact CB-CG 4.21Å; R401-E629 CarbonylContact O-C 3.25Å; R401-E629 WeakPolarHBondContact O-CA 3.4Å; R401-E629 WeakPolarHBondContact O-CB 3.39Å; E629-D631 PolarHBondContact O-N 3.09Å |
| 630 | L | 82.5 | Confident | 81.3 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 128 | 174 | -165.6 | 79.3 | 0 | 0 | 0 | 109.5 | R401 E632 G696 | R401-L630 PolarHBondContact O-N 2.99Å; L630-E632 PolarHBondContact O-N 3.2Å; L630-G696 WeakPolarHBondContact CD1-O 3.43Å |
| 631 | D | 76 | Confident | 80.4 | Confident | 90 Ų | 90 | 66 Ų | 66 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | trans | -78.1 | 107.2 | 174.6 | -178 | 3 | 0 | 0 | 0 | 110.1 | E629 S633 I634 | E629-D631 PolarHBondContact O-N 3.09Å; D631-S633 PolarHBondContact O-N 2.96Å; D631-S633 VanDerWaalsContact O-N 3.13Å; D631-S633 VanDerWaalsContact OD1-CB 3.27Å; D631-S633 WeakPolarHBondContact OD1-CB 3.5Å; D631-S633 PolarHBondContact OD1-N 3Å; D631-S633 PolarHBondContact OD1-OG 2.95Å; D631-S633 PolarHBondContact OD2-OG 3.34Å; D631-I634 HydrophobicContact CB-CD1 3.96Å; D631-I634 HydrophobicContact CB-CG1 3.95Å; D631-I634 WeakPolarHBondContact O-CB 3.39Å; D631-I634 WeakPolarHBondContact O-CD1 3.45Å; D631-I634 VanDerWaalsContact O-CG1 3.26Å; D631-I634 WeakPolarHBondContact O-CG1 3.33Å; D631-I634 PolarHBondContact O-N 3.38Å | ||
| 632 | E | 74.9 | Confident | 79.9 | Confident | 162 Ų | 162 | 73.3 Ų | 73.3 | 76% | 0.757 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.4 | 178.8 | -64.5 | -177.6 | 179.1 | 0 | 0 | 112.7 | L630 I634 | L630-E632 PolarHBondContact O-N 3.2Å; E632-I634 VanDerWaalsContact C-N 3.34Å |
| 633 | S | 76.3 | Confident | 79.6 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5.6 | 179 | 78.5 | 0 | 0 | 0 | 0 | 114.6 | D631 V635 | D631-S633 PolarHBondContact O-N 2.96Å; D631-S633 VanDerWaalsContact O-N 3.13Å; D631-S633 VanDerWaalsContact OD1-CB 3.27Å; D631-S633 WeakPolarHBondContact OD1-CB 3.5Å; D631-S633 PolarHBondContact OD1-N 3Å; D631-S633 PolarHBondContact OD1-OG 2.95Å; D631-S633 PolarHBondContact OD2-OG 3.34Å; S633-V635 VanDerWaalsContact C-N 3.3Å; S633-V635 PolarHBondContact O-N 3.29Å |
| 634 | I | 77.9 | Confident | 79.7 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 6% | 0.062 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -57.3 | -45.5 | 179.8 | -71.2 | 168.6 | 0 | 0 | 0 | 111.1 | D631 E632 F652 K700 | D631-I634 HydrophobicContact CB-CD1 3.96Å; D631-I634 HydrophobicContact CB-CG1 3.95Å; D631-I634 WeakPolarHBondContact O-CB 3.39Å; D631-I634 WeakPolarHBondContact O-CD1 3.45Å; D631-I634 VanDerWaalsContact O-CG1 3.26Å; D631-I634 WeakPolarHBondContact O-CG1 3.33Å; D631-I634 PolarHBondContact O-N 3.38Å; E632-I634 VanDerWaalsContact C-N 3.34Å; I634-F652 HydrophobicContact CG2-CE1 4.19Å; I634-K700 HydrophobicContact CG2-CB 3.88Å; I634-K700 PolarHBondContact O-NZ 3.44Å |
| 635 | V | 80.3 | Confident | 79.8 | Confident | 11 Ų | 11 | 70.6 Ų | 70.6 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -108.8 | 117.1 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | S633 R637 V705 V707 | S633-V635 VanDerWaalsContact C-N 3.3Å; S633-V635 PolarHBondContact O-N 3.29Å; V635-R637 PolarHBondContact O-N 3.37Å; V635-R637 VanDerWaalsContact O-N 3.17Å; V635-V705 HydrophobicContact CG1-CG1 4.32Å; V635-V705 HydrophobicContact CG2-CG1 4.48Å; V635-V707 HydrophobicContact CG1-CB 3.95Å; V635-V707 HydrophobicContact CG1-CG2 3.48Å; V635-V707 VanDerWaalsContact CG1-CG2 3.48Å |
| 636 | L | 82.3 | Confident | 80 | Confident | 86 Ų | 86 | 70.5 Ų | 70.5 | 45% | 0.45 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 106.3 | 176.7 | -67 | 170.8 | 0 | 0 | 0 | 109.2 | V705 T706 V707 | L636-V705 PolarHBondContact N-O 3.35Å; L636-T706 HydrophobicContact CB-CG2 3.88Å; L636-T706 HydrophobicContact CD1-CG2 4.16Å; L636-T706 CarbonylContact O-C 3.59Å; L636-T706 VanDerWaalsContact O-CA 3.27Å; L636-T706 WeakPolarHBondContact O-CA 3.5Å; L636-V707 PolarHBondContact O-N 3.36Å |
| 637 | R | 78.7 | Confident | 80.2 | Confident | 136 Ų | 136 | 67.9 Ų | 67.9 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 107 | 175.7 | -64.6 | -174.5 | 178.6 | -171.3 | -1 | 109.3 | V635 V707 N1156 | V635-R637 PolarHBondContact O-N 3.37Å; V635-R637 VanDerWaalsContact O-N 3.17Å; R637-V707 WeakPolarHBondContact CA-O 3.38Å; R637-N1156 PolarHBondContact NH1-ND2 2.89Å; R637-N1156 VanDerWaalsContact NH1-ND2 3.17Å; R637-N1156 PolarHBondContact NH1-OD1 3.31Å |
| 638 | T | 76.7 | Confident | 80.5 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | trans | -124.7 | 137.3 | -176 | -51.9 | 0 | 0 | 0 | 0 | 110.5 | L641 V707 S708 | T638-L641 HydrophobicContact CG2-CD1 3.95Å; T638-L641 HydrophobicContact CG2-CG 4.35Å; T638-V707 PolarHBondContact N-O 3.07Å; T638-V707 VanDerWaalsContact N-O 3.14Å; T638-S708 VanDerWaalsContact O-CA 3.24Å; T638-S708 WeakPolarHBondContact O-CA 3.17Å; T638-S708 WeakPolarHBondContact O-CB 3.38Å; T638-S708 PolarHBondContact O-OG 3.28Å | ||
| 639 | E | 70.4 | Confident | 80.8 | Confident | 186 Ų | 186 | 73 Ų | 73 | 87% | 0.869 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -87.3 | 144 | 174.5 | -63.5 | -174 | 174.6 | 0 | 0 | 111.3 | ||
| 640 | G | 65.4 | Low | 80.9 | Confident | 72 Ų | 72 | 68.8 Ų | 68.8 | 74% | 0.742 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 88.7 | 9.7 | 168 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 641 | L | 68.7 | Low | 81.3 | Confident | 74 Ų | 74 | 68.1 Ų | 68.1 | 39% | 0.387 | 35% | 0.354 | S | S | . | . | trans | -80.4 | 144.9 | 174.9 | -72.9 | 160.4 | 0 | 0 | 0 | 112 | T638 N643 R673 | T638-L641 HydrophobicContact CG2-CD1 3.95Å; T638-L641 HydrophobicContact CG2-CG 4.35Å; L641-N643 VanDerWaalsContact C-N 3.26Å; L641-N643 PolarHBondContact O-N 3.3Å; L641-R673 PolarHBondContact O-NE 3.43Å | ||
| 642 | H | 78.5 | Confident | 81.9 | Confident | 154 Ų | 154 | 63.9 Ų | 63.9 | 71% | 0.713 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -61.5 | -34.3 | 176.6 | -172.3 | -79.8 | 0 | 0 | 0 | 112.5 | ||
| 643 | N | 83.5 | Confident | 82.5 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 24% | 0.235 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 134.3 | 175.5 | -62.1 | -20.4 | 0 | 0 | 0 | 109.8 | L641 V671 | L641-N643 VanDerWaalsContact C-N 3.26Å; L641-N643 PolarHBondContact O-N 3.3Å; N643-V671 CarbonylContact C-O 3.55Å; N643-V671 WeakPolarHBondContact CA-O 3.49Å |
| 644 | A | 87.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -40 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V671 R673 V707 S708 I791 T824 | A644-V671 PolarHBondContact N-O 3.41Å; A644-R673 HydrophobicContact CB-CG 3.91Å; A644-V707 CarbonylContact O-C 3.48Å; A644-V707 WeakPolarHBondContact O-CA 3.42Å; A644-S708 PolarHBondContact O-N 3.1Å; A644-I791 HydrophobicContact CB-CD1 4.18Å; A644-I791 HydrophobicContact CB-CG1 4.32Å; A644-T824 HydrophobicContact CB-CG2 3.86Å |
| 645 | I | 91.2 | Very high | 82.7 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 133.1 | 178.3 | -59.7 | 162.8 | 0 | 0 | 0 | 108.6 | F647 V671 I694 T706 V707 I791 I826 | I645-F647 HydrophobicContact CG2-CD2 3.84Å; I645-F647 HydrophobicContact CG2-CE2 3.58Å; I645-V671 HydrophobicContact CB-CB 4.05Å; I645-V671 HydrophobicContact CB-CG2 4.07Å; I645-V671 PolarHBondContact N-O 3.41Å; I645-V671 PolarHBondContact O-N 2.81Å; I645-I694 HydrophobicContact CD1-CD1 4.24Å; I645-I694 HydrophobicContact CD1-CG2 3.87Å; I645-I694 HydrophobicContact CG1-CG2 4.4Å; I645-T706 WeakPolarHBondContact CA-O 3.42Å; I645-V707 HydrophobicContact CG1-CG1 4.3Å; I645-V707 HydrophobicContact CG1-CG2 4.28Å; I645-V707 HydrophobicContact CG2-CG2 4.48Å; I645-I791 HydrophobicContact CD1-CD1 4.47Å; I645-I791 HydrophobicContact CD1-CG2 3.9Å; I645-I791 HydrophobicContact CG1-CD1 4.14Å; I645-I826 HydrophobicContact CD1-CD1 3.36Å; I645-I826 HydrophobicContact CD1-CG1 4.48Å |
| 646 | S | 91.2 | Very high | 82.2 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 119.5 | 173.2 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | L669 V705 T706 | S646-L669 CarbonylContact C-O 3.58Å; S646-L669 WeakPolarHBondContact CA-O 3.44Å; S646-V705 WeakPolarHBondContact O-CA 3.32Å; S646-T706 WeakPolarHBondContact CB-OG1 3.3Å; S646-T706 PolarHBondContact N-O 3.15Å; S646-T706 PolarHBondContact O-N 2.98Å; S646-T706 PolarHBondContact O-OG1 2.96Å |
| 647 | F | 90.3 | Very high | 81.4 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 128.3 | 168.5 | -72.3 | -98.5 | 0 | 0 | 0 | 109.4 | I645 A650 F652 I667 L669 L690 A693 I694 V705 | I645-F647 HydrophobicContact CG2-CD2 3.84Å; I645-F647 HydrophobicContact CG2-CE2 3.58Å; F647-A650 HydrophobicContact CB-CB 4.42Å; F647-A650 HydrophobicContact CD1-CB 3.8Å; F647-F652 HydrophobicContact CD1-CE2 4.06Å; F647-F652 AromaticContact CE1-CE2 3.72Å; F647-F652 HydrophobicContact CE1-CE2 3.72Å; F647-F652 HydrophobicContact CE1-CZ 4.27Å; F647-I667 HydrophobicContact CB-CG2 3.97Å; F647-I667 HydrophobicContact CD1-CB 4.37Å; F647-I667 HydrophobicContact CD1-CG2 3.93Å; F647-I667 HydrophobicContact CG-CG2 3.92Å; F647-L669 HydrophobicContact CB-CB 4.26Å; F647-L669 HydrophobicContact CD2-CB 4.09Å; F647-L669 HydrophobicContact CD2-CD2 4.41Å; F647-L669 PolarHBondContact N-O 3.16Å; F647-L669 PolarHBondContact O-N 2.99Å; F647-L690 HydrophobicContact CE1-CD1 4.33Å; F647-L690 HydrophobicContact CE2-CD1 4.33Å; F647-L690 HydrophobicContact CZ-CD1 3.98Å; F647-A693 HydrophobicContact CE1-CB 4.24Å; F647-A693 HydrophobicContact CZ-CB 4.48Å; F647-I694 HydrophobicContact CE2-CD1 4.29Å; F647-I694 HydrophobicContact CE2-CG1 3.65Å; F647-I694 HydrophobicContact CZ-CD1 4.44Å; F647-I694 HydrophobicContact CZ-CG1 3.46Å; F647-I694 VanDerWaalsContact CZ-CG1 3.46Å; F647-V705 HydrophobicContact CD1-CB 4.39Å; F647-V705 HydrophobicContact CD1-CG1 4.27Å; F647-V705 HydrophobicContact CD1-CG2 3.27Å; F647-V705 HydrophobicContact CE1-CB 4.4Å; F647-V705 HydrophobicContact CE1-CG1 4.01Å; F647-V705 HydrophobicContact CE1-CG2 3.42Å; F647-V705 VanDerWaalsContact CE1-CG2 3.42Å; F647-V705 HydrophobicContact CE2-CG1 4.4Å; F647-V705 HydrophobicContact CG-CG2 4.04Å; F647-V705 HydrophobicContact CZ-CG1 4.07Å; F647-V705 HydrophobicContact CZ-CG2 4.29Å |
| 648 | E | 90.1 | Very high | 80.7 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 108.2 | 175.8 | -61.1 | -170.1 | 160.3 | 0 | 0 | 110.1 | A650 G703 S704 | E648-A650 PolarHBondContact O-N 3.42Å; E648-G703 WeakPolarHBondContact O-CA 3.28Å; E648-S704 PolarHBondContact N-O 3.18Å; E648-S704 PolarHBondContact O-N 3.15Å |
| 649 | K | 88 | Confident | 79.8 | Confident | 137 Ų | 137 | 68.4 Ų | 68.4 | 60% | 0.596 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 45.7 | 35.8 | -177.6 | -61.5 | -174.2 | 179.3 | 178.1 | 0 | 113.6 | N666 I667 N668 | K649-N666 VanDerWaalsContact CA-OD1 3.22Å; K649-N666 WeakPolarHBondContact CA-OD1 3.2Å; K649-N666 VanDerWaalsContact CB-OD1 3.25Å; K649-N666 WeakPolarHBondContact CB-OD1 3.27Å; K649-N666 WeakPolarHBondContact CG-OD1 3.44Å; K649-I667 PolarHBondContact N-O 2.95Å; K649-N668 WeakPolarHBondContact CA-OD1 3.45Å; K649-N668 PolarHBondContact N-OD1 3.46Å |
| 650 | A | 89.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 131 | -167 | 0 | 0 | 0 | 0 | 0 | 111.4 | F647 E648 F652 N666 I667 D702 V705 | F647-A650 HydrophobicContact CB-CB 4.42Å; F647-A650 HydrophobicContact CD1-CB 3.8Å; E648-A650 PolarHBondContact O-N 3.42Å; A650-F652 HydrophobicContact CB-CD2 4.38Å; A650-F652 HydrophobicContact CB-CE2 3.63Å; A650-F652 HydrophobicContact CB-CZ 4.37Å; A650-N666 PolarHBondContact O-N 3.43Å; A650-I667 PolarHBondContact N-O 3.08Å; A650-I667 PolarHBondContact O-N 2.76Å; A650-D702 WeakPolarHBondContact CA-O 3.35Å; A650-V705 HydrophobicContact CB-CG2 3.92Å |
| 651 | T | 90.1 | Very high | 79.6 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.2 | -179.2 | -60.9 | 0 | 0 | 0 | 0 | 109.1 | V662 L664 N666 V701 D702 | T651-V662 HydrophobicContact CG2-CG1 3.39Å; T651-V662 HydrophobicContact CG2-CG2 4.4Å; T651-L664 WeakPolarHBondContact CA-O 3.39Å; T651-L664 WeakPolarHBondContact CG2-O 3.41Å; T651-N666 PolarHBondContact OG1-N 3.14Å; T651-N666 VanDerWaalsContact OG1-N 3.15Å; T651-V701 HydrophobicContact CG2-CB 4.27Å; T651-V701 PolarHBondContact O-N 2.9Å; T651-D702 PolarHBondContact N-O 2.84Å |
| 652 | F | 88.4 | Confident | 80 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.7 | -174.3 | -67.2 | -90 | 0 | 0 | 0 | 113.3 | I634 F647 A650 I663 L664 A693 M698 Y699 K700 V705 | I634-F652 HydrophobicContact CG2-CE1 4.19Å; F647-F652 HydrophobicContact CD1-CE2 4.06Å; F647-F652 AromaticContact CE1-CE2 3.72Å; F647-F652 HydrophobicContact CE1-CE2 3.72Å; F647-F652 HydrophobicContact CE1-CZ 4.27Å; A650-F652 HydrophobicContact CB-CD2 4.38Å; A650-F652 HydrophobicContact CB-CE2 3.63Å; A650-F652 HydrophobicContact CB-CZ 4.37Å; F652-I663 PolarHBondContact O-N 2.96Å; F652-L664 HydrophobicContact CB-CB 4.14Å; F652-L664 HydrophobicContact CB-CD1 4.26Å; F652-L664 HydrophobicContact CD2-CB 4.49Å; F652-L664 HydrophobicContact CD2-CD1 4.28Å; F652-L664 PolarHBondContact N-O 3.24Å; F652-L664 PolarHBondContact O-N 2.95Å; F652-A693 HydrophobicContact CD1-CB 4.06Å; F652-A693 HydrophobicContact CD2-CB 3.81Å; F652-A693 HydrophobicContact CE1-CB 4.1Å; F652-A693 HydrophobicContact CE2-CB 3.86Å; F652-A693 HydrophobicContact CG-CB 3.92Å; F652-A693 HydrophobicContact CZ-CB 4.02Å; F652-M698 HydrophobicContact CB-CB 4.15Å; F652-M698 HydrophobicContact CB-CE 3.77Å; F652-M698 HydrophobicContact CB-SD 4.17Å; F652-M698 HydrophobicContact CD1-CB 3.83Å; F652-M698 HydrophobicContact CG-CB 4.36Å; F652-Y699 VanDerWaalsContact CA-O 3.28Å; F652-Y699 WeakPolarHBondContact CA-O 3.48Å; F652-Y699 WeakPolarHBondContact CD1-O 3.32Å; F652-K700 HydrophobicContact CD1-CB 4.18Å; F652-K700 HydrophobicContact CE1-CB 3.72Å; F652-K700 HydrophobicContact CE1-CG 4.19Å; F652-K700 HydrophobicContact CZ-CB 4.34Å; F652-K700 HydrophobicContact CZ-CG 4.32Å; F652-V705 HydrophobicContact CE2-CG2 3.8Å; F652-V705 HydrophobicContact CZ-CB 4.5Å; F652-V705 HydrophobicContact CZ-CG2 3.46Å; F652-V705 VanDerWaalsContact CZ-CG2 3.46Å |
| 653 | S | 87.5 | Confident | 80.3 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157.2 | 172.6 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | E655 Y699 | S653-E655 WeakPolarHBondContact CB-O 3.42Å; S653-E655 PolarHBondContact OG-O 3.22Å; S653-Y699 PolarHBondContact N-O 3.28Å; S653-Y699 PolarHBondContact O-N 2.87Å |
| 654 | W | 80.1 | Confident | 80.5 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -84.9 | -20.8 | 168.5 | -70.9 | 104.4 | 0 | 0 | 0 | 112.6 | M698 | W654-M698 HydrophobicContact CD2-CE 4.13Å; W654-M698 HydrophobicContact CD2-CG 4.09Å; W654-M698 HydrophobicContact CE3-CG 3.98Å; W654-M698 HydrophobicContact CG-CE 4.15Å; W654-M698 HydrophobicContact CH2-CG 3.87Å; W654-M698 HydrophobicContact CH2-SD 4.49Å; W654-M698 HydrophobicContact CZ2-CE 4.44Å; W654-M698 HydrophobicContact CZ2-CG 3.97Å; W654-M698 HydrophobicContact CZ2-SD 4.03Å; W654-M698 HydrophobicContact CZ3-CG 3.87Å |
| 655 | E | 79 | Confident | 80.6 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 28% | 0.276 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -115.2 | 135.7 | 178 | -58.4 | 179.7 | -175 | 0 | 0 | 110.2 | E405 S653 K658 | E405-E655 WeakPolarHBondContact OE2-CA 3.42Å; S653-E655 WeakPolarHBondContact CB-O 3.42Å; S653-E655 PolarHBondContact OG-O 3.22Å; E655-K658 IonicContact OE1-NZ 2.98Å; E655-K658 VanDerWaalsContact OE2-CD 3.29Å; E655-K658 WeakPolarHBondContact OE2-CD 3.49Å; E655-K658 WeakPolarHBondContact OE2-CE 3.18Å; E655-K658 IonicContact OE2-NZ 2.78Å; E655-K658 PolarHBondContact OE2-NZ 2.88Å |
| 656 | A | 69.9 | Low | 80.4 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 44% | 0.438 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -71.7 | -39.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E405 Y699 | E405-A656 PolarHBondContact OE2-N 3.02Å; A656-Y699 HydrophobicContact CB-CD1 4.11Å; A656-Y699 HydrophobicContact CB-CD2 4.42Å; A656-Y699 HydrophobicContact CB-CE1 4.02Å; A656-Y699 HydrophobicContact CB-CE2 4.35Å; A656-Y699 HydrophobicContact CB-CG 4.31Å |
| 657 | E | 65.1 | Low | 80.3 | Confident | 184 Ų | 184 | 64.4 Ų | 64.4 | 86% | 0.86 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -94.6 | -20.9 | -168 | -65.4 | -170.8 | 162.4 | 0 | 0 | 114.6 | ||
| 658 | K | 62.7 | Low | 80.4 | Confident | 115 Ų | 115 | 68.1 Ų | 68.1 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | trans | -98.8 | 104.5 | -177.5 | -68.4 | -164.9 | -152.6 | 121.7 | 0 | 112.5 | E655 S660 S661 | E655-K658 IonicContact OE1-NZ 2.98Å; E655-K658 VanDerWaalsContact OE2-CD 3.29Å; E655-K658 WeakPolarHBondContact OE2-CD 3.49Å; E655-K658 WeakPolarHBondContact OE2-CE 3.18Å; E655-K658 IonicContact OE2-NZ 2.78Å; E655-K658 PolarHBondContact OE2-NZ 2.88Å; K658-S660 PolarHBondContact O-N 3.23Å; K658-S660 VanDerWaalsContact O-N 3.14Å; K658-S661 WeakPolarHBondContact O-CB 3.47Å; K658-S661 PolarHBondContact O-N 3.44Å; K658-S661 PolarHBondContact O-OG 3.47Å | ||
| 659 | K | 58.6 | Low | 80.4 | Confident | 188 Ų | 188 | 64 Ų | 64 | 82% | 0.817 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -57.7 | -23.6 | 170 | -71.8 | -173.2 | 177.4 | -177.9 | 0 | 113.8 | S661 V662 | K659-S661 PolarHBondContact O-N 2.92Å; K659-V662 VanDerWaalsContact O-CG2 3.29Å; K659-V662 WeakPolarHBondContact O-CG2 3.37Å |
| 660 | S | 61.5 | Low | 80.5 | Confident | 104 Ų | 104 | 63.3 Ų | 63.3 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -71.1 | -14.6 | 175 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | K658 | K658-S660 PolarHBondContact O-N 3.23Å; K658-S660 VanDerWaalsContact O-N 3.14Å |
| 661 | S | 69.5 | Low | 80.6 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -91.4 | 7.7 | -178.1 | 75.1 | 0 | 0 | 0 | 0 | 114.2 | K658 K659 I663 | K658-S661 WeakPolarHBondContact O-CB 3.47Å; K658-S661 PolarHBondContact O-N 3.44Å; K658-S661 PolarHBondContact O-OG 3.47Å; K659-S661 PolarHBondContact O-N 2.92Å; S661-I663 WeakPolarHBondContact O-CG1 3.18Å; S661-I663 PolarHBondContact O-N 3.04Å |
| 662 | V | 78.7 | Confident | 80.6 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 110 | -179.8 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | T651 K659 L664 R665 | T651-V662 HydrophobicContact CG2-CG1 3.39Å; T651-V662 HydrophobicContact CG2-CG2 4.4Å; K659-V662 VanDerWaalsContact O-CG2 3.29Å; K659-V662 WeakPolarHBondContact O-CG2 3.37Å; V662-L664 WeakPolarHBondContact CG1-O 3.47Å; V662-R665 HydrophobicContact CG1-CG 3.61Å |
| 663 | I | 83.7 | Confident | 80.6 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 32% | 0.323 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -47.6 | 178.9 | -57.7 | -157.2 | 0 | 0 | 0 | 110.4 | F652 S661 G847 | F652-I663 PolarHBondContact O-N 2.96Å; S661-I663 WeakPolarHBondContact O-CG1 3.18Å; S661-I663 PolarHBondContact O-N 3.04Å; I663-G847 WeakPolarHBondContact O-CA 3.48Å |
| 664 | L | 88.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.4 | 179.6 | -60.1 | 175.9 | 0 | 0 | 0 | 110.1 | T651 F652 V662 I667 L690 A693 M698 G847 | T651-L664 WeakPolarHBondContact CA-O 3.39Å; T651-L664 WeakPolarHBondContact CG2-O 3.41Å; F652-L664 HydrophobicContact CB-CB 4.14Å; F652-L664 HydrophobicContact CB-CD1 4.26Å; F652-L664 HydrophobicContact CD2-CB 4.49Å; F652-L664 HydrophobicContact CD2-CD1 4.28Å; F652-L664 PolarHBondContact N-O 3.24Å; F652-L664 PolarHBondContact O-N 2.95Å; V662-L664 WeakPolarHBondContact CG1-O 3.47Å; L664-I667 HydrophobicContact CB-CD1 4.31Å; L664-I667 HydrophobicContact CB-CG1 3.93Å; L664-I667 HydrophobicContact CD2-CD1 4.42Å; L664-L690 HydrophobicContact CD1-CB 4.41Å; L664-L690 HydrophobicContact CD1-CD1 4.4Å; L664-A693 HydrophobicContact CD1-CB 3.92Å; L664-M698 HydrophobicContact CD1-SD 4.21Å; L664-G847 WeakPolarHBondContact CA-O 3.25Å |
| 665 | R | 88.7 | Confident | 81.2 | Confident | 152 Ų | 152 | 70.5 Ų | 70.5 | 57% | 0.574 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.8 | -172.8 | -64.4 | 176.9 | -175.4 | -173.1 | 2.9 | 110.8 | V662 I667 G847 | V662-R665 HydrophobicContact CG1-CG 3.61Å; R665-I667 VanDerWaalsContact C-N 3.27Å; R665-I667 PolarHBondContact O-N 3.19Å; R665-I667 VanDerWaalsContact O-N 3.16Å; R665-G847 PolarHBondContact N-O 2.95Å |
| 666 | N | 86.7 | Confident | 81.8 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 45.1 | 169.4 | -162.7 | 14.3 | 0 | 0 | 0 | 113.9 | K649 A650 T651 N668 | K649-N666 VanDerWaalsContact CA-OD1 3.22Å; K649-N666 WeakPolarHBondContact CA-OD1 3.2Å; K649-N666 VanDerWaalsContact CB-OD1 3.25Å; K649-N666 WeakPolarHBondContact CB-OD1 3.27Å; K649-N666 WeakPolarHBondContact CG-OD1 3.44Å; A650-N666 PolarHBondContact O-N 3.43Å; T651-N666 PolarHBondContact OG1-N 3.14Å; T651-N666 VanDerWaalsContact OG1-N 3.15Å; N666-N668 PolarHBondContact O-N 3.4Å; N666-N668 PolarHBondContact O-ND2 2.92Å; N666-N668 VanDerWaalsContact O-ND2 3.17Å; N666-N668 PolarHBondContact OD1-ND2 3.36Å |
| 667 | I | 90.6 | Very high | 82.9 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 123.2 | -178.7 | -58.2 | -63.5 | 0 | 0 | 0 | 109.2 | F647 K649 A650 L664 R665 L669 L690 L844 I849 | F647-I667 HydrophobicContact CB-CG2 3.97Å; F647-I667 HydrophobicContact CD1-CB 4.37Å; F647-I667 HydrophobicContact CD1-CG2 3.93Å; F647-I667 HydrophobicContact CG-CG2 3.92Å; K649-I667 PolarHBondContact N-O 2.95Å; A650-I667 PolarHBondContact N-O 3.08Å; A650-I667 PolarHBondContact O-N 2.76Å; L664-I667 HydrophobicContact CB-CD1 4.31Å; L664-I667 HydrophobicContact CB-CG1 3.93Å; L664-I667 HydrophobicContact CD2-CD1 4.42Å; R665-I667 VanDerWaalsContact C-N 3.27Å; R665-I667 PolarHBondContact O-N 3.19Å; R665-I667 VanDerWaalsContact O-N 3.16Å; I667-L669 HydrophobicContact CG2-CB 4.37Å; I667-L690 HydrophobicContact CG2-CD1 4.13Å; I667-L844 HydrophobicContact CD1-CD2 4.47Å; I667-I849 HydrophobicContact CD1-CD1 4.49Å; I667-I849 HydrophobicContact CD1-CG1 4.03Å; I667-I849 HydrophobicContact CG2-CD1 3.76Å; I667-I849 HydrophobicContact CG2-CG1 4.44Å |
| 668 | N | 91.3 | Very high | 84.2 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 103.9 | 173.5 | -70.2 | -66.6 | 0 | 0 | 0 | 108.5 | K649 N666 | K649-N668 WeakPolarHBondContact CA-OD1 3.45Å; K649-N668 PolarHBondContact N-OD1 3.46Å; N666-N668 PolarHBondContact O-N 3.4Å; N666-N668 PolarHBondContact O-ND2 2.92Å; N666-N668 VanDerWaalsContact O-ND2 3.17Å; N666-N668 PolarHBondContact OD1-ND2 3.36Å |
| 669 | L | 89.9 | Confident | 85.6 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 125.1 | -174.6 | 177.5 | 64.7 | 0 | 0 | 0 | 110.1 | S646 F647 I667 V671 V842 I849 I852 | S646-L669 CarbonylContact C-O 3.58Å; S646-L669 WeakPolarHBondContact CA-O 3.44Å; F647-L669 HydrophobicContact CB-CB 4.26Å; F647-L669 HydrophobicContact CD2-CB 4.09Å; F647-L669 HydrophobicContact CD2-CD2 4.41Å; F647-L669 PolarHBondContact N-O 3.16Å; F647-L669 PolarHBondContact O-N 2.99Å; I667-L669 HydrophobicContact CG2-CB 4.37Å; L669-V671 HydrophobicContact CD2-CG2 4.23Å; L669-V671 HydrophobicContact CG-CG2 4.06Å; L669-V842 HydrophobicContact CD1-CG2 3.81Å; L669-I849 HydrophobicContact CB-CD1 3.93Å; L669-I852 HydrophobicContact CD1-CD1 3.82Å |
| 670 | K | 90.6 | Very high | 87.1 | Confident | 123 Ų | 123 | 43.1 Ų | 43.1 | 54% | 0.535 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.6 | 175.9 | -67.1 | -176.1 | 176.2 | -177.6 | 0 | 109.9 | ||
| 671 | V | 91.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 114.6 | -178.8 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | N643 A644 I645 L669 I677 T824 | N643-V671 CarbonylContact C-O 3.55Å; N643-V671 WeakPolarHBondContact CA-O 3.49Å; A644-V671 PolarHBondContact N-O 3.41Å; I645-V671 HydrophobicContact CB-CB 4.05Å; I645-V671 HydrophobicContact CB-CG2 4.07Å; I645-V671 PolarHBondContact N-O 3.41Å; I645-V671 PolarHBondContact O-N 2.81Å; L669-V671 HydrophobicContact CD2-CG2 4.23Å; L669-V671 HydrophobicContact CG-CG2 4.06Å; V671-I677 HydrophobicContact CB-CD1 3.9Å; V671-I677 HydrophobicContact CG1-CD1 3.56Å; V671-I677 HydrophobicContact CG1-CG1 4.4Å; V671-I677 HydrophobicContact CG2-CD1 3.58Å; V671-T824 HydrophobicContact CG1-CG2 3.45Å; V671-T824 VanDerWaalsContact CG1-CG2 3.45Å |
| 672 | T | 90.4 | Very high | 88.5 | Confident | 54 Ų | 54 | 45.7 Ų | 45.7 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 148.1 | 174.9 | 49 | 0 | 0 | 0 | 0 | 110.8 | G674 A675 | T672-G674 PolarHBondContact O-N 3.45Å; T672-A675 PolarHBondContact O-N 2.79Å |
| 673 | R | 89.3 | Confident | 88.5 | Confident | 125 Ų | 125 | 51.2 Ų | 51.2 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 137.4 | 177.5 | -71.4 | 176.7 | 174.1 | -134.4 | -5 | 111.2 | L641 A644 A675 S708 T824 | L641-R673 PolarHBondContact O-NE 3.43Å; A644-R673 HydrophobicContact CB-CG 3.91Å; R673-A675 VanDerWaalsContact C-N 3.3Å; R673-A675 PolarHBondContact O-N 2.92Å; R673-S708 PolarHBondContact NH2-OG 3.47Å; R673-T824 WeakPolarHBondContact CA-OG1 3.37Å |
| 674 | G | 88.6 | Confident | 88 | Confident | 23 Ų | 23 | 52 Ų | 52 | 24% | 0.237 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T672 K823 T824 | T672-G674 PolarHBondContact O-N 3.45Å; G674-K823 CarbonylContact C-O 3.55Å; G674-K823 WeakPolarHBondContact CA-O 3.27Å; G674-T824 PolarHBondContact N-OG1 2.96Å; G674-T824 VanDerWaalsContact N-OG1 3.1Å |
| 675 | A | 91 | Very high | 87.7 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | trans | -80.5 | 148.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T672 R673 R825 D839 | T672-A675 PolarHBondContact O-N 2.79Å; R673-A675 VanDerWaalsContact C-N 3.3Å; R673-A675 PolarHBondContact O-N 2.92Å; A675-R825 PolarHBondContact O-N 3.42Å; A675-D839 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 676 | C | 92.2 | Very high | 87.5 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 112.6 | 169.1 | -167.3 | 0 | 0 | 0 | 0 | 110.6 | R825 D839 K840 | C676-R825 CarbonylContact C-O 3.56Å; C676-R825 WeakPolarHBondContact CA-O 3.43Å; C676-R825 HydrophobicContact CB-CB 4.37Å; C676-D839 PolarHBondContact N-OD2 2.76Å; C676-D839 WeakPolarHBondContact O-CB 3.31Å; C676-D839 PolarHBondContact O-N 3.39Å; C676-K840 PolarHBondContact O-N 3.4Å |
| 677 | I | 93 | Very high | 87.5 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123 | -179.5 | -59.3 | -174.7 | 0 | 0 | 0 | 109.5 | V671 R825 F827 K840 V842 | V671-I677 HydrophobicContact CB-CD1 3.9Å; V671-I677 HydrophobicContact CG1-CD1 3.56Å; V671-I677 HydrophobicContact CG1-CG1 4.4Å; V671-I677 HydrophobicContact CG2-CD1 3.58Å; I677-R825 PolarHBondContact N-O 3.08Å; I677-F827 PolarHBondContact O-N 3.2Å; I677-K840 CarbonylContact C-O 3.58Å; I677-K840 WeakPolarHBondContact CA-O 3.26Å; I677-K840 HydrophobicContact CG1-CB 4.4Å; I677-V842 HydrophobicContact CG2-CG2 3.62Å |
| 678 | A | 92.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 138.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | F827 L835 V838 K840 I841 V842 | A678-F827 CarbonylContact C-O 3.55Å; A678-F827 VanDerWaalsContact CA-O 3.22Å; A678-F827 WeakPolarHBondContact CA-O 3.4Å; A678-L835 HydrophobicContact CB-CD2 3.58Å; A678-V838 HydrophobicContact CB-CB 4.29Å; A678-V838 HydrophobicContact CB-CG1 4.11Å; A678-V838 HydrophobicContact CB-CG2 3.74Å; A678-K840 PolarHBondContact N-O 3.49Å; A678-I841 HydrophobicContact CB-CG1 4.38Å; A678-I841 CarbonylContact O-C 3.59Å; A678-I841 WeakPolarHBondContact O-CA 3.34Å; A678-V842 PolarHBondContact O-N 2.73Å |
| 679 | V | 91.5 | Very high | 87.3 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116 | 174.2 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | L690 I826 F827 V828 T829 V842 L844 | V679-L690 HydrophobicContact CG1-CD2 4.24Å; V679-L690 HydrophobicContact CG2-CD2 4.38Å; V679-I826 HydrophobicContact CG2-CG2 4.06Å; V679-F827 PolarHBondContact N-O 2.94Å; V679-V828 HydrophobicContact CB-CG2 4.12Å; V679-T829 PolarHBondContact O-N 3.3Å; V679-V842 WeakPolarHBondContact CA-O 3.15Å; V679-V842 HydrophobicContact CG2-CB 4.35Å; V679-L844 HydrophobicContact CG1-CD1 3.44Å; V679-L844 VanDerWaalsContact CG1-CD1 3.44Å; V679-L844 HydrophobicContact CG1-CG 4.36Å |
| 680 | I | 89.2 | Confident | 87.4 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 163.9 | -176.9 | 65.3 | 172.1 | 0 | 0 | 0 | 111.5 | T829 L835 I841 V842 I843 L844 L865 | I680-T829 HydrophobicContact CG2-CG2 4.36Å; I680-L835 HydrophobicContact CD1-CD1 4.12Å; I680-L835 HydrophobicContact CG2-CD1 4.14Å; I680-L835 HydrophobicContact CG2-CD2 3.73Å; I680-I841 HydrophobicContact CD1-CG2 3.67Å; I680-I841 HydrophobicContact CG1-CG2 3.78Å; I680-V842 PolarHBondContact N-O 2.63Å; I680-I843 HydrophobicContact CD1-CD1 4.38Å; I680-I843 HydrophobicContact CD1-CG1 4Å; I680-I843 HydrophobicContact CG1-CB 4.46Å; I680-I843 HydrophobicContact CG1-CG1 3.91Å; I680-L844 PolarHBondContact O-N 3.4Å; I680-L865 HydrophobicContact CD1-CD1 4.18Å |
| 681 | G | 82.6 | Confident | 87.5 | Confident | 27 Ų | 27 | 34.8 Ų | 34.8 | 28% | 0.278 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.8 | 170.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K687 L844 | G681-K687 PolarHBondContact O-NZ 3.26Å; G681-L844 WeakPolarHBondContact CA-O 3.37Å |
| 682 | K | 79.6 | Confident | 87.4 | Confident | 155 Ų | 155 | 35.6 Ų | 35.6 | 67% | 0.674 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -59.7 | 160.3 | 177.9 | -67 | 176.6 | 179.8 | 166.3 | 0 | 112 | G684 S685 K687 | K682-G684 PolarHBondContact O-N 2.84Å; K682-S685 WeakPolarHBondContact O-CB 3.34Å; K682-S685 PolarHBondContact O-N 3.46Å; K682-S685 PolarHBondContact O-OG 2.98Å; K682-S685 VanDerWaalsContact O-OG 3.11Å; K682-K687 PolarHBondContact O-NZ 2.86Å |
| 683 | V | 77.1 | Confident | 87.4 | Confident | 138 Ų | 138 | 33 Ų | 33 | 84% | 0.836 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | 129.3 | 171.6 | -178 | 0 | 0 | 0 | 0 | 108.3 | ||
| 684 | G | 74.1 | Confident | 87.5 | Confident | 78 Ų | 78 | 27.1 Ų | 27.1 | 80% | 0.804 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K682 G686 | K682-G684 PolarHBondContact O-N 2.84Å; G684-G686 PolarHBondContact O-N 3.23Å; G684-G686 VanDerWaalsContact O-N 3.13Å |
| 685 | S | 82.6 | Confident | 87.6 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -72.4 | -1.6 | -178.6 | 71.5 | 0 | 0 | 0 | 0 | 116 | K682 L844 G847 | K682-S685 WeakPolarHBondContact O-CB 3.34Å; K682-S685 PolarHBondContact O-N 3.46Å; K682-S685 PolarHBondContact O-OG 2.98Å; K682-S685 VanDerWaalsContact O-OG 3.11Å; S685-L844 WeakPolarHBondContact CB-O 3.47Å; S685-L844 PolarHBondContact OG-O 2.92Å; S685-G847 WeakPolarHBondContact O-CA 3.45Å; S685-G847 PolarHBondContact O-N 3.33Å; S685-G847 VanDerWaalsContact O-N 3.17Å |
| 686 | G | 83.5 | Confident | 87.4 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 99.6 | 12 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G684 S688 S689 L690 | G684-G686 PolarHBondContact O-N 3.23Å; G684-G686 VanDerWaalsContact O-N 3.13Å; G686-S688 PolarHBondContact O-N 3.44Å; G686-S689 CarbonylContact O-C 3.46Å; G686-S689 WeakPolarHBondContact O-CA 3.33Å; G686-S689 VanDerWaalsContact O-CB 3.29Å; G686-S689 WeakPolarHBondContact O-CB 3.27Å; G686-S689 PolarHBondContact O-N 3.4Å; G686-S689 VanDerWaalsContact O-N 3.13Å; G686-L690 PolarHBondContact O-N 3.19Å |
| 687 | K | 87.8 | Confident | 87.1 | Confident | 16 Ų | 16 | 26.8 Ų | 26.8 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -53.7 | -54 | -178.4 | -54.1 | -171.7 | -69 | -95.1 | 0 | 114.3 | G681 K682 S689 L690 C691 V828 N830 L844 | G681-K687 PolarHBondContact O-NZ 3.26Å; K682-K687 PolarHBondContact O-NZ 2.86Å; K687-S689 VanDerWaalsContact C-N 3.29Å; K687-S689 PolarHBondContact O-N 2.97Å; K687-L690 WeakPolarHBondContact O-CB 3.42Å; K687-L690 PolarHBondContact O-N 2.89Å; K687-L690 VanDerWaalsContact O-N 3.17Å; K687-C691 PolarHBondContact O-N 2.99Å; K687-V828 HydrophobicContact CB-CG1 3.71Å; K687-V828 HydrophobicContact CD-CG1 4.06Å; K687-V828 HydrophobicContact CG-CG1 4.45Å; K687-N830 VanDerWaalsContact CE-OD1 3.24Å; K687-N830 WeakPolarHBondContact CE-OD1 3.32Å; K687-N830 PolarHBondContact NZ-OD1 3.24Å; K687-L844 HydrophobicContact CB-CD1 4.42Å; K687-L844 HydrophobicContact CG-CD1 4.13Å |
| 688 | S | 87.9 | Confident | 86.8 | Confident | 41 Ų | 41 | 26.6 Ų | 26.6 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -71.2 | -26.1 | 177.9 | -47.6 | 0 | 0 | 0 | 0 | 112.5 | G686 L690 C691 S692 D795 | G686-S688 PolarHBondContact O-N 3.44Å; S688-L690 VanDerWaalsContact C-N 3.34Å; S688-C691 WeakPolarHBondContact O-CB 3.38Å; S688-C691 PolarHBondContact O-N 3.18Å; S688-S692 PolarHBondContact O-N 3.13Å; S688-S692 PolarHBondContact O-OG 3.46Å; S688-D795 VanDerWaalsContact CB-OD2 3.32Å; S688-D795 WeakPolarHBondContact CB-OD2 3.45Å; S688-D795 PolarHBondContact OG-OD1 3.39Å; S688-D795 PolarHBondContact OG-OD2 3.48Å |
| 689 | S | 89.8 | Confident | 86.5 | Confident | 17 Ų | 17 | 28.3 Ų | 28.3 | 12% | 0.119 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 170.1 | -58.1 | 0 | 0 | 0 | 0 | 111 | G686 K687 C691 S692 A693 | G686-S689 CarbonylContact O-C 3.46Å; G686-S689 WeakPolarHBondContact O-CA 3.33Å; G686-S689 VanDerWaalsContact O-CB 3.29Å; G686-S689 WeakPolarHBondContact O-CB 3.27Å; G686-S689 PolarHBondContact O-N 3.4Å; G686-S689 VanDerWaalsContact O-N 3.13Å; K687-S689 VanDerWaalsContact C-N 3.29Å; K687-S689 PolarHBondContact O-N 2.97Å; S689-C691 VanDerWaalsContact C-N 3.33Å; S689-C691 PolarHBondContact O-N 2.97Å; S689-S692 WeakPolarHBondContact O-CB 3.32Å; S689-S692 PolarHBondContact O-N 3.21Å; S689-S692 VanDerWaalsContact O-N 3.17Å; S689-A693 PolarHBondContact O-N 2.93Å |
| 690 | L | 91.7 | Very high | 86.2 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.8 | -177.7 | 65.4 | 0 | 0 | 0 | 111.2 | F647 L664 I667 V679 G686 K687 S688 S692 A693 I694 L844 | F647-L690 HydrophobicContact CE1-CD1 4.33Å; F647-L690 HydrophobicContact CE2-CD1 4.33Å; F647-L690 HydrophobicContact CZ-CD1 3.98Å; L664-L690 HydrophobicContact CD1-CB 4.41Å; L664-L690 HydrophobicContact CD1-CD1 4.4Å; I667-L690 HydrophobicContact CG2-CD1 4.13Å; V679-L690 HydrophobicContact CG1-CD2 4.24Å; V679-L690 HydrophobicContact CG2-CD2 4.38Å; G686-L690 PolarHBondContact O-N 3.19Å; K687-L690 WeakPolarHBondContact O-CB 3.42Å; K687-L690 PolarHBondContact O-N 2.89Å; K687-L690 VanDerWaalsContact O-N 3.17Å; S688-L690 VanDerWaalsContact C-N 3.34Å; L690-S692 VanDerWaalsContact C-N 3.33Å; L690-S692 PolarHBondContact O-N 3.3Å; L690-A693 PolarHBondContact O-N 3.16Å; L690-I694 WeakPolarHBondContact O-CG1 3.45Å; L690-I694 PolarHBondContact O-N 2.89Å; L690-I694 VanDerWaalsContact O-N 3.15Å; L690-L844 HydrophobicContact CB-CD1 4.36Å; L690-L844 HydrophobicContact CD2-CD1 4.01Å |
| 691 | C | 92.3 | Very high | 86 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 173.9 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | K687 S688 S689 A693 I694 L695 I793 V828 | K687-C691 PolarHBondContact O-N 2.99Å; S688-C691 WeakPolarHBondContact O-CB 3.38Å; S688-C691 PolarHBondContact O-N 3.18Å; S689-C691 VanDerWaalsContact C-N 3.33Å; S689-C691 PolarHBondContact O-N 2.97Å; C691-A693 VanDerWaalsContact C-N 3.32Å; C691-A693 PolarHBondContact O-N 3.4Å; C691-I694 PolarHBondContact O-N 3.33Å; C691-L695 WeakPolarHBondContact O-CG 3.05Å; C691-L695 PolarHBondContact O-N 3.49Å; C691-L695 VanDerWaalsContact O-N 3.14Å; C691-I793 HydrophobicContact CB-CG2 3.74Å; C691-I793 VanDerWaalsContact SG-CG2 3.52Å; C691-V828 WeakPolarHBondContact SG-CG2 2.84Å |
| 692 | S | 89.8 | Confident | 86.1 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 12% | 0.119 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -35.9 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 112.4 | S688 S689 L690 L695 G696 E697 | S688-S692 PolarHBondContact O-N 3.13Å; S688-S692 PolarHBondContact O-OG 3.46Å; S689-S692 WeakPolarHBondContact O-CB 3.32Å; S689-S692 PolarHBondContact O-N 3.21Å; S689-S692 VanDerWaalsContact O-N 3.17Å; L690-S692 VanDerWaalsContact C-N 3.33Å; L690-S692 PolarHBondContact O-N 3.3Å; S692-L695 PolarHBondContact O-N 3.28Å; S692-G696 PolarHBondContact O-N 2.97Å; S692-E697 WeakPolarHBondContact O-CB 3.43Å; S692-E697 PolarHBondContact O-N 3.13Å |
| 693 | A | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F647 F652 L664 S689 L690 C691 L695 G696 M698 | F647-A693 HydrophobicContact CE1-CB 4.24Å; F647-A693 HydrophobicContact CZ-CB 4.48Å; F652-A693 HydrophobicContact CD1-CB 4.06Å; F652-A693 HydrophobicContact CD2-CB 3.81Å; F652-A693 HydrophobicContact CE1-CB 4.1Å; F652-A693 HydrophobicContact CE2-CB 3.86Å; F652-A693 HydrophobicContact CG-CB 3.92Å; F652-A693 HydrophobicContact CZ-CB 4.02Å; L664-A693 HydrophobicContact CD1-CB 3.92Å; S689-A693 PolarHBondContact O-N 2.93Å; L690-A693 PolarHBondContact O-N 3.16Å; C691-A693 VanDerWaalsContact C-N 3.32Å; C691-A693 PolarHBondContact O-N 3.4Å; A693-L695 VanDerWaalsContact C-N 3.33Å; A693-L695 PolarHBondContact O-N 3.18Å; A693-G696 PolarHBondContact O-N 2.95Å; A693-M698 HydrophobicContact CB-SD 4.16Å |
| 694 | I | 91.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 174.4 | -59.9 | 167 | 0 | 0 | 0 | 111 | I645 F647 L690 C691 G696 V707 I793 I826 | I645-I694 HydrophobicContact CD1-CD1 4.24Å; I645-I694 HydrophobicContact CD1-CG2 3.87Å; I645-I694 HydrophobicContact CG1-CG2 4.4Å; F647-I694 HydrophobicContact CE2-CD1 4.29Å; F647-I694 HydrophobicContact CE2-CG1 3.65Å; F647-I694 HydrophobicContact CZ-CD1 4.44Å; F647-I694 HydrophobicContact CZ-CG1 3.46Å; F647-I694 VanDerWaalsContact CZ-CG1 3.46Å; L690-I694 WeakPolarHBondContact O-CG1 3.45Å; L690-I694 PolarHBondContact O-N 2.89Å; L690-I694 VanDerWaalsContact O-N 3.15Å; C691-I694 PolarHBondContact O-N 3.33Å; I694-G696 PolarHBondContact O-N 3.48Å; I694-V707 HydrophobicContact CG2-CG2 4.09Å; I694-I793 HydrophobicContact CB-CD1 3.95Å; I694-I793 HydrophobicContact CD1-CD1 4.36Å; I694-I793 HydrophobicContact CG2-CD1 3.59Å; I694-I826 HydrophobicContact CD1-CD1 3.51Å |
| 695 | L | 89.7 | Confident | 87.7 | Confident | 15 Ų | 15 | 23.6 Ų | 23.6 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.2 | -14 | 178.9 | -66.6 | 175.9 | 0 | 0 | 0 | 113.4 | C691 S692 A693 E697 I711 Y713 I793 A1154 | C691-L695 WeakPolarHBondContact O-CG 3.05Å; C691-L695 PolarHBondContact O-N 3.49Å; C691-L695 VanDerWaalsContact O-N 3.14Å; S692-L695 PolarHBondContact O-N 3.28Å; A693-L695 VanDerWaalsContact C-N 3.33Å; A693-L695 PolarHBondContact O-N 3.18Å; L695-E697 HydrophobicContact CB-CG 3.98Å; L695-I711 HydrophobicContact CD2-CD1 4.34Å; L695-I711 HydrophobicContact CD2-CG2 3.87Å; L695-Y713 HydrophobicContact CD1-CD1 3.9Å; L695-Y713 HydrophobicContact CD1-CD2 4.01Å; L695-Y713 HydrophobicContact CD1-CE1 4.07Å; L695-Y713 HydrophobicContact CD1-CE2 4.19Å; L695-Y713 HydrophobicContact CD1-CG 3.87Å; L695-I793 HydrophobicContact CD2-CD1 3.96Å; L695-I793 HydrophobicContact CG-CD1 4.23Å; L695-A1154 HydrophobicContact CD2-CB 3.66Å |
| 696 | G | 87.9 | Confident | 88 | Confident | 6 Ų | 6 | 24.7 Ų | 24.7 | 6% | 0.062 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 23.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L630 S692 A693 I694 | L630-G696 WeakPolarHBondContact CD1-O 3.43Å; S692-G696 PolarHBondContact O-N 2.97Å; A693-G696 PolarHBondContact O-N 2.95Å; I694-G696 PolarHBondContact O-N 3.48Å |
| 697 | E | 85.8 | Confident | 88.3 | Confident | 11 Ų | 11 | 24.4 Ų | 24.4 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | trans | -87.7 | -9.4 | -177.4 | -69.4 | -74.7 | -179.1 | 0 | 0 | 113.7 | S404 S692 L695 R1153 | S404-E697 WeakPolarHBondContact CB-O 3.39Å; S404-E697 PolarHBondContact OG-O 3Å; S404-E697 PolarHBondContact OG-OE2 3.06Å; S692-E697 WeakPolarHBondContact O-CB 3.43Å; S692-E697 PolarHBondContact O-N 3.13Å; L695-E697 HydrophobicContact CB-CG 3.98Å; E697-R1153 IonicContact OE1-CZ 3.43Å; E697-R1153 IonicContact OE1-NE 3.31Å; E697-R1153 PolarHBondContact OE1-NE 3.35Å; E697-R1153 IonicContact OE1-NH2 3.63Å; E697-R1153 PolarHBondContact OE1-NH2 3.18Å; E697-R1153 IonicContact OE2-CZ 3.2Å; E697-R1153 VanDerWaalsContact OE2-CZ 3.29Å; E697-R1153 IonicContact OE2-NE 3.06Å; E697-R1153 IonicContact OE2-NH1 2.86Å; E697-R1153 IonicContact OE2-NH2 3.73Å; E697-R1153 PolarHBondContact OE2-NH2 3.44Å | ||
| 698 | M | 87 | Confident | 88.4 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -111.5 | 152.4 | 179.8 | -65.3 | -176 | 73.3 | 0 | 0 | 111.7 | F652 W654 L664 A693 K700 | F652-M698 HydrophobicContact CB-CB 4.15Å; F652-M698 HydrophobicContact CB-CE 3.77Å; F652-M698 HydrophobicContact CB-SD 4.17Å; F652-M698 HydrophobicContact CD1-CB 3.83Å; F652-M698 HydrophobicContact CG-CB 4.36Å; W654-M698 HydrophobicContact CD2-CE 4.13Å; W654-M698 HydrophobicContact CD2-CG 4.09Å; W654-M698 HydrophobicContact CE3-CG 3.98Å; W654-M698 HydrophobicContact CG-CE 4.15Å; W654-M698 HydrophobicContact CH2-CG 3.87Å; W654-M698 HydrophobicContact CH2-SD 4.49Å; W654-M698 HydrophobicContact CZ2-CE 4.44Å; W654-M698 HydrophobicContact CZ2-CG 3.97Å; W654-M698 HydrophobicContact CZ2-SD 4.03Å; W654-M698 HydrophobicContact CZ3-CG 3.87Å; L664-M698 HydrophobicContact CD1-SD 4.21Å; A693-M698 HydrophobicContact CB-SD 4.16Å; M698-K700 PolarHBondContact O-N 3.48Å |
| 699 | Y | 84 | Confident | 88.4 | Confident | 36 Ų | 36 | 23.7 Ų | 23.7 | 14% | 0.141 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 128.5 | 174 | -67.5 | -85 | 0 | 0 | 0 | 110.3 | S403 E405 E628 F652 S653 A656 | S403-Y699 VanDerWaalsContact CB-OH 3.31Å; S403-Y699 WeakPolarHBondContact CB-OH 3.48Å; S403-Y699 PolarHBondContact OG-OH 2.98Å; E405-Y699 HydrophobicContact CB-CE2 3.85Å; E628-Y699 PolarHBondContact OE2-OH 3.18Å; F652-Y699 VanDerWaalsContact CA-O 3.28Å; F652-Y699 WeakPolarHBondContact CA-O 3.48Å; F652-Y699 WeakPolarHBondContact CD1-O 3.32Å; S653-Y699 PolarHBondContact N-O 3.28Å; S653-Y699 PolarHBondContact O-N 2.87Å; A656-Y699 HydrophobicContact CB-CD1 4.11Å; A656-Y699 HydrophobicContact CB-CD2 4.42Å; A656-Y699 HydrophobicContact CB-CE1 4.02Å; A656-Y699 HydrophobicContact CB-CE2 4.35Å; A656-Y699 HydrophobicContact CB-CG 4.31Å |
| 700 | K | 86.5 | Confident | 88.4 | Confident | 69 Ų | 69 | 25.3 Ų | 25.3 | 30% | 0.3 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 113.3 | 172.4 | -177.4 | 179.1 | 75.5 | -170.5 | 0 | 109.2 | I634 F652 M698 G703 | I634-K700 HydrophobicContact CG2-CB 3.88Å; I634-K700 PolarHBondContact O-NZ 3.44Å; F652-K700 HydrophobicContact CD1-CB 4.18Å; F652-K700 HydrophobicContact CE1-CB 3.72Å; F652-K700 HydrophobicContact CE1-CG 4.19Å; F652-K700 HydrophobicContact CZ-CB 4.34Å; F652-K700 HydrophobicContact CZ-CG 4.32Å; M698-K700 PolarHBondContact O-N 3.48Å; K700-G703 VanDerWaalsContact CD-O 3.32Å; K700-G703 WeakPolarHBondContact CD-O 3.26Å |
| 701 | V | 84.6 | Confident | 88.4 | Confident | 78 Ų | 78 | 25.6 Ų | 25.6 | 47% | 0.473 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -43.3 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | T651 | T651-V701 HydrophobicContact CG2-CB 4.27Å; T651-V701 PolarHBondContact O-N 2.9Å |
| 702 | D | 84.8 | Confident | 88.5 | Confident | 110 Ų | 110 | 25.5 Ų | 25.5 | 59% | 0.588 | 16% | 0.158 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 163 | -179.8 | -163.1 | 8.4 | 0 | 0 | 0 | 110.3 | A650 T651 | A650-D702 WeakPolarHBondContact CA-O 3.35Å; T651-D702 PolarHBondContact N-O 2.84Å |
| 703 | G | 85.4 | Confident | 88.7 | Confident | 26 Ų | 26 | 25.4 Ų | 25.4 | 27% | 0.268 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 81 | -167.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E648 K700 | E648-G703 WeakPolarHBondContact O-CA 3.28Å; K700-G703 VanDerWaalsContact CD-O 3.32Å; K700-G703 WeakPolarHBondContact CD-O 3.26Å |
| 704 | S | 88.9 | Confident | 88.9 | Confident | 30 Ų | 30 | 25.4 Ų | 25.4 | 21% | 0.21 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.8 | -179.2 | 80.1 | 0 | 0 | 0 | 0 | 112.2 | E648 | E648-S704 PolarHBondContact N-O 3.18Å; E648-S704 PolarHBondContact O-N 3.15Å |
| 705 | V | 89.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126.3 | 173 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | V635 L636 S646 F647 A650 F652 V707 | V635-V705 HydrophobicContact CG1-CG1 4.32Å; V635-V705 HydrophobicContact CG2-CG1 4.48Å; L636-V705 PolarHBondContact N-O 3.35Å; S646-V705 WeakPolarHBondContact O-CA 3.32Å; F647-V705 HydrophobicContact CD1-CB 4.39Å; F647-V705 HydrophobicContact CD1-CG1 4.27Å; F647-V705 HydrophobicContact CD1-CG2 3.27Å; F647-V705 HydrophobicContact CE1-CB 4.4Å; F647-V705 HydrophobicContact CE1-CG1 4.01Å; F647-V705 HydrophobicContact CE1-CG2 3.42Å; F647-V705 VanDerWaalsContact CE1-CG2 3.42Å; F647-V705 HydrophobicContact CE2-CG1 4.4Å; F647-V705 HydrophobicContact CG-CG2 4.04Å; F647-V705 HydrophobicContact CZ-CG1 4.07Å; F647-V705 HydrophobicContact CZ-CG2 4.29Å; A650-V705 HydrophobicContact CB-CG2 3.92Å; F652-V705 HydrophobicContact CE2-CG2 3.8Å; F652-V705 HydrophobicContact CZ-CB 4.5Å; F652-V705 HydrophobicContact CZ-CG2 3.46Å; F652-V705 VanDerWaalsContact CZ-CG2 3.46Å; V705-V707 HydrophobicContact CG1-CG2 4.33Å |
| 706 | T | 90.4 | Very high | 88.7 | Confident | 30 Ų | 30 | 29.8 Ų | 29.8 | 18% | 0.184 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.4 | 176.4 | 53.3 | 0 | 0 | 0 | 0 | 109.5 | L636 I645 S646 | L636-T706 HydrophobicContact CB-CG2 3.88Å; L636-T706 HydrophobicContact CD1-CG2 4.16Å; L636-T706 CarbonylContact O-C 3.59Å; L636-T706 VanDerWaalsContact O-CA 3.27Å; L636-T706 WeakPolarHBondContact O-CA 3.5Å; I645-T706 WeakPolarHBondContact CA-O 3.42Å; S646-T706 WeakPolarHBondContact CB-OG1 3.3Å; S646-T706 PolarHBondContact N-O 3.15Å; S646-T706 PolarHBondContact O-N 2.98Å; S646-T706 PolarHBondContact O-OG1 2.96Å |
| 707 | V | 90 | Very high | 88.5 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.4 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | V635 L636 R637 T638 A644 I645 I694 V705 I711 I791 | V635-V707 HydrophobicContact CG1-CB 3.95Å; V635-V707 HydrophobicContact CG1-CG2 3.48Å; V635-V707 VanDerWaalsContact CG1-CG2 3.48Å; L636-V707 PolarHBondContact O-N 3.36Å; R637-V707 WeakPolarHBondContact CA-O 3.38Å; T638-V707 PolarHBondContact N-O 3.07Å; T638-V707 VanDerWaalsContact N-O 3.14Å; A644-V707 CarbonylContact O-C 3.48Å; A644-V707 WeakPolarHBondContact O-CA 3.42Å; I645-V707 HydrophobicContact CG1-CG1 4.3Å; I645-V707 HydrophobicContact CG1-CG2 4.28Å; I645-V707 HydrophobicContact CG2-CG2 4.48Å; I694-V707 HydrophobicContact CG2-CG2 4.09Å; V705-V707 HydrophobicContact CG1-CG2 4.33Å; V707-I711 HydrophobicContact CG1-CD1 3.9Å; V707-I711 HydrophobicContact CG1-CG1 4.26Å; V707-I791 HydrophobicContact CG1-CD1 3.53Å |
| 708 | S | 89.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -125 | 97.9 | -174.7 | -163.5 | 0 | 0 | 0 | 0 | 111.4 | T638 A644 R673 | T638-S708 VanDerWaalsContact O-CA 3.24Å; T638-S708 WeakPolarHBondContact O-CA 3.17Å; T638-S708 WeakPolarHBondContact O-CB 3.38Å; T638-S708 PolarHBondContact O-OG 3.28Å; A644-S708 PolarHBondContact O-N 3.1Å; R673-S708 PolarHBondContact NH2-OG 3.47Å | ||
| 709 | G | 86.9 | Confident | 88.7 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 129.3 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D790 | G709-D790 WeakPolarHBondContact CA-OD2 3.42Š|
| 710 | S | 90.5 | Very high | 88.9 | Confident | 51 Ų | 51 | 37.8 Ų | 37.8 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | trans | -75.5 | 146.9 | 172.8 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | A789 D790 I791 | S710-A789 WeakPolarHBondContact OG-CA 3.32Å; S710-D790 PolarHBondContact N-OD2 2.95Å; S710-D790 PolarHBondContact O-N 3Å; S710-D790 VanDerWaalsContact O-N 3.09Å; S710-D790 PolarHBondContact OG-N 3.05Å; S710-D790 PolarHBondContact OG-OD2 3.42Å; S710-I791 PolarHBondContact O-N 3.45Å | ||
| 711 | I | 92.4 | Very high | 88.8 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.051 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.4 | -176.4 | -52.6 | 174.3 | 0 | 0 | 0 | 110.1 | L695 V707 I791 I793 A1154 | L695-I711 HydrophobicContact CD2-CD1 4.34Å; L695-I711 HydrophobicContact CD2-CG2 3.87Å; V707-I711 HydrophobicContact CG1-CD1 3.9Å; V707-I711 HydrophobicContact CG1-CG1 4.26Å; I711-I791 CarbonylContact C-O 3.59Å; I711-I791 WeakPolarHBondContact CA-O 3.31Å; I711-I791 HydrophobicContact CG1-CB 4.42Å; I711-I793 HydrophobicContact CG2-CD1 3.75Å; I711-I793 HydrophobicContact CG2-CG1 4.11Å; I711-A1154 VanDerWaalsContact O-O 3.14Å |
| 712 | A | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.3 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | A784 A789 I791 Y792 I793 Y1155 | A712-A784 HydrophobicContact CB-CB 4.16Å; A712-A789 HydrophobicContact CB-CB 3.57Å; A712-I791 PolarHBondContact N-O 3.24Å; A712-Y792 HydrophobicContact CB-CD1 3.8Å; A712-Y792 HydrophobicContact CB-CE1 3.69Å; A712-Y792 HydrophobicContact CB-CG 4.39Å; A712-I793 PolarHBondContact O-N 3.37Å; A712-Y1155 HydrophobicContact CB-CE1 3.82Å |
| 713 | Y | 94.4 | Very high | 88.7 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 6% | 0.059 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.9 | -177.1 | 177.2 | -126.3 | 0 | 0 | 0 | 110.9 | L695 P715 I793 D795 A1154 Y1155 | L695-Y713 HydrophobicContact CD1-CD1 3.9Å; L695-Y713 HydrophobicContact CD1-CD2 4.01Å; L695-Y713 HydrophobicContact CD1-CE1 4.07Å; L695-Y713 HydrophobicContact CD1-CE2 4.19Å; L695-Y713 HydrophobicContact CD1-CG 3.87Å; Y713-P715 HydrophobicContact CD1-CB 4.47Å; Y713-P715 HydrophobicContact CE1-CB 3.67Å; Y713-P715 HydrophobicContact CE1-CG 4.33Å; Y713-I793 HydrophobicContact CD2-CB 4.01Å; Y713-I793 HydrophobicContact CD2-CG2 3.86Å; Y713-I793 HydrophobicContact CE2-CG2 4.14Å; Y713-D795 HydrophobicContact CE2-CB 4.12Å; Y713-D795 PolarHBondContact OH-OD2 3.23Å; Y713-A1154 HydrophobicContact CG-CB 4.42Å; Y713-Y1155 PolarHBondContact O-OH 3.12Å |
| 714 | V | 94.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 105.5 | 169.7 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | L781 A784 I793 L794 D795 P797 | V714-L781 HydrophobicContact CG2-CD1 4.03Å; V714-A784 HydrophobicContact CG2-CB 3.42Å; V714-A784 VanDerWaalsContact CG2-CB 3.42Å; V714-I793 PolarHBondContact N-O 3.48Å; V714-L794 HydrophobicContact CB-CD2 3.96Å; V714-L794 HydrophobicContact CG2-CD2 3.6Å; V714-D795 WeakPolarHBondContact O-CB 3.26Å; V714-D795 PolarHBondContact O-N 3.49Å; V714-P797 HydrophobicContact CG1-CB 4.25Å |
| 715 | P | 90.5 | Very high | 88.9 | Confident | 12 Ų | 12 | 28.5 Ų | 28.5 | 8% | 0.078 | 16% | 0.164 | C | C | . | . | trans | -71.1 | 156 | 178 | 28.1 | -34.4 | 0 | 0 | 0 | 112.3 | Y713 Q717 Q777 | Y713-P715 HydrophobicContact CD1-CB 4.47Å; Y713-P715 HydrophobicContact CE1-CB 3.67Å; Y713-P715 HydrophobicContact CE1-CG 4.33Å; P715-Q717 VanDerWaalsContact C-N 3.27Å; P715-Q717 VanDerWaalsContact CG-O 3.27Å; P715-Q717 WeakPolarHBondContact CG-O 3.37Å; P715-Q717 PolarHBondContact O-N 3.03Å; P715-Q777 PolarHBondContact O-NE2 2.96Å | ||
| 716 | Q | 86.3 | Confident | 89 | Confident | 97 Ų | 97 | 30 Ų | 30 | 45% | 0.453 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -56.8 | -40.8 | 173.3 | -171.8 | -178.1 | 20.6 | 0 | 0 | 112 | D795 D796 | Q716-D795 WeakPolarHBondContact CA-O 3.4Å; Q716-D795 PolarHBondContact N-O 2.9Å; Q716-D796 HydrophobicContact CG-CB 4.42Å |
| 717 | Q | 83.8 | Confident | 89.1 | Confident | 175 Ų | 175 | 32.4 Ų | 32.4 | 82% | 0.818 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -96.6 | 107.1 | 168.9 | -68.1 | -175.8 | -8.5 | 0 | 0 | 109.8 | P715 W719 | P715-Q717 VanDerWaalsContact C-N 3.27Å; P715-Q717 VanDerWaalsContact CG-O 3.27Å; P715-Q717 WeakPolarHBondContact CG-O 3.37Å; P715-Q717 PolarHBondContact O-N 3.03Å; Q717-W719 PolarHBondContact O-N 3.15Å; Q717-W719 VanDerWaalsContact O-N 3.17Å |
| 718 | A | 86.4 | Confident | 89.2 | Confident | 25 Ų | 25 | 32.3 Ų | 32.3 | 21% | 0.207 | 18% | 0.182 | C | C | . | . | trans | -53.7 | 119.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I720 K776 Q777 | A718-I720 HydrophobicContact CB-CD1 4.46Å; A718-K776 HydrophobicContact CB-CB 3.74Å; A718-K776 WeakPolarHBondContact CB-O 3.41Å; A718-Q777 VanDerWaalsContact CB-OE1 3.28Å | ||
| 719 | W | 89.7 | Confident | 89.4 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | trans | -91 | 116.6 | 172.5 | 169.3 | 63.2 | 0 | 0 | 0 | 110.6 | Q717 L721 F731 R783 E1144 G1148 S1151 V1152 F1161 | Q717-W719 PolarHBondContact O-N 3.15Å; Q717-W719 VanDerWaalsContact O-N 3.17Å; W719-L721 HydrophobicContact CH2-CD2 3.9Å; W719-L721 HydrophobicContact CZ2-CD2 3.41Å; W719-L721 VanDerWaalsContact CZ2-CD2 3.41Å; W719-L721 HydrophobicContact CZ2-CG 4.36Å; W719-F731 AromaticContact CH2-CE2 3.6Å; W719-F731 HydrophobicContact CH2-CE2 3.6Å; W719-F731 AromaticContact CH2-CZ 3.76Å; W719-F731 HydrophobicContact CH2-CZ 3.76Å; W719-F731 AromaticContact CZ3-CE2 3.71Å; W719-F731 HydrophobicContact CZ3-CE2 3.71Å; W719-F731 AromaticContact CZ3-CZ 3.71Å; W719-F731 HydrophobicContact CZ3-CZ 3.71Å; W719-R783 PolarHBondContact O-NH1 3.34Å; W719-R783 PolarHBondContact O-NH2 2.65Å; W719-E1144 PolarHBondContact NE1-O 2.86Å; W719-G1148 VanDerWaalsContact CD1-CA 3.48Å; W719-S1151 VanDerWaalsContact CE3-CB 3.44Å; W719-V1152 HydrophobicContact CH2-CG2 3.43Å; W719-V1152 VanDerWaalsContact CH2-CG2 3.43Å; W719-V1152 HydrophobicContact CZ2-CG2 3.93Å; W719-V1152 HydrophobicContact CZ3-CG2 4.1Å; W719-F1161 HydrophobicContact CH2-CE2 4.4Å; W719-F1161 HydrophobicContact CH2-CZ 4.09Å | ||
| 720 | I | 88.4 | Confident | 89.7 | Confident | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | trans | -121.2 | 134.9 | -176.9 | -54.7 | -58.9 | 0 | 0 | 0 | 109.8 | A718 N728 I764 K776 L779 | A718-I720 HydrophobicContact CB-CD1 4.46Å; I720-N728 WeakPolarHBondContact CG2-OD1 3.43Å; I720-I764 HydrophobicContact CG2-CD1 4Å; I720-I764 HydrophobicContact CG2-CG2 4.14Å; I720-K776 HydrophobicContact CG1-CB 4.35Å; I720-K776 HydrophobicContact CG1-CG 4.38Å; I720-L779 HydrophobicContact CD1-CB 4.21Å; I720-L779 HydrophobicContact CD1-CD2 3.81Å; I720-L779 HydrophobicContact CD1-CG 3.96Å; I720-L779 HydrophobicContact CG1-CD2 4.47Å; I720-L779 HydrophobicContact CG2-CD2 3.97Å | ||
| 721 | L | 85.5 | Confident | 89.7 | Confident | 15 Ų | 15 | 29.3 Ų | 29.3 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | trans | -78 | 150.7 | 176.2 | -62.4 | 176.1 | 0 | 0 | 0 | 110.9 | W719 A723 N728 F731 E1144 F1161 | W719-L721 HydrophobicContact CH2-CD2 3.9Å; W719-L721 HydrophobicContact CZ2-CD2 3.41Å; W719-L721 VanDerWaalsContact CZ2-CD2 3.41Å; W719-L721 HydrophobicContact CZ2-CG 4.36Å; L721-A723 PolarHBondContact O-N 3.36Å; L721-N728 WeakPolarHBondContact CB-OD1 3.32Å; L721-N728 PolarHBondContact N-OD1 3.13Å; L721-N728 PolarHBondContact O-ND2 3Å; L721-N728 PolarHBondContact O-OD1 2.92Å; L721-F731 HydrophobicContact CD1-CD2 3.71Å; L721-F731 HydrophobicContact CD1-CE2 3.84Å; L721-E1144 HydrophobicContact CD2-CB 4.34Å; L721-F1161 HydrophobicContact CD2-CE1 4.49Å; L721-F1161 HydrophobicContact CD2-CZ 4.33Å | ||
| 722 | N | 83.2 | Confident | 89.5 | Confident | 62 Ų | 62 | 32.9 Ų | 32.9 | 33% | 0.332 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -77.3 | 75.2 | 171.7 | -170.3 | 20.1 | 0 | 0 | 0 | 110.4 | G765 E766 E1144 | N722-G765 VanDerWaalsContact OD1-CA 3.23Å; N722-G765 WeakPolarHBondContact OD1-CA 3.42Å; N722-E766 HydrophobicContact CB-CG 4.43Å; N722-E766 PolarHBondContact OD1-N 2.71Å; N722-E1144 WeakPolarHBondContact CB-OE1 3.4Å; N722-E1144 PolarHBondContact N-OE2 3.41Å; N722-E1144 VanDerWaalsContact N-OE2 3.16Å |
| 723 | A | 83.7 | Confident | 89.2 | Confident | 26 Ų | 26 | 34.4 Ų | 34.4 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -144.2 | -176.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L721 N727 N728 I764 | L721-A723 PolarHBondContact O-N 3.36Å; A723-N727 HydrophobicContact CB-CB 3.87Å; A723-N728 PolarHBondContact O-ND2 2.91Å; A723-I764 WeakPolarHBondContact O-CG1 3.21Å; A723-I764 PolarHBondContact O-N 3Å |
| 724 | T | 88.1 | Confident | 89 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 9% | 0.086 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -66.8 | 160.2 | 172.1 | 63 | 0 | 0 | 0 | 0 | 111.5 | K726 N727 N728 E761 T762 E763 | T724-K726 VanDerWaalsContact C-N 3.25Å; T724-K726 PolarHBondContact O-N 3.17Å; T724-N727 PolarHBondContact O-N 3.46Å; T724-N727 WeakPolarHBondContact OG1-CB 3.21Å; T724-N727 PolarHBondContact OG1-N 3.24Å; T724-N727 PolarHBondContact OG1-ND2 2.66Å; T724-N728 PolarHBondContact O-N 3.08Å; T724-N728 PolarHBondContact O-ND2 3.11Å; T724-N728 VanDerWaalsContact O-ND2 3.12Å; T724-E761 WeakPolarHBondContact CG2-O 3.49Å; T724-T762 WeakPolarHBondContact CA-O 3.36Å; T724-E763 HydrophobicContact CG2-CG 4.26Å |
| 725 | V | 90.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.4 | -46.4 | 174.4 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | N728 V729 L749 I753 M756 D760 T762 I764 L779 | V725-N728 WeakPolarHBondContact O-CB 3.48Å; V725-N728 PolarHBondContact O-N 2.65Å; V725-V729 PolarHBondContact O-N 2.98Å; V725-V729 VanDerWaalsContact O-N 3.15Å; V725-L749 HydrophobicContact CG1-CD2 4.21Å; V725-I753 HydrophobicContact CG1-CD1 4.2Å; V725-I753 HydrophobicContact CG1-CG1 4.28Å; V725-M756 HydrophobicContact CG2-CE 4.12Å; V725-M756 HydrophobicContact CG2-SD 3.63Å; V725-D760 WeakPolarHBondContact CB-O 3.27Å; V725-D760 PolarHBondContact N-O 2.98Å; V725-T762 PolarHBondContact N-O 3.36Å; V725-T762 VanDerWaalsContact N-O 3.16Å; V725-I764 HydrophobicContact CB-CD1 4.31Å; V725-I764 HydrophobicContact CG2-CD1 3.84Å; V725-I764 HydrophobicContact CG2-CG1 3.81Å; V725-L779 HydrophobicContact CG1-CD1 3.98Å |
| 726 | K | 92.1 | Very high | 88.9 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 13% | 0.13 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.7 | -53.1 | 175.4 | -174.2 | 176.9 | 179.9 | 178.3 | 0 | 112.8 | T724 N728 V729 L730 E735 Y740 D760 E761 | T724-K726 VanDerWaalsContact C-N 3.25Å; T724-K726 PolarHBondContact O-N 3.17Å; K726-N728 VanDerWaalsContact C-N 3.25Å; K726-N728 PolarHBondContact O-N 3.09Å; K726-V729 PolarHBondContact O-N 2.63Å; K726-V729 VanDerWaalsContact O-N 3.14Å; K726-L730 HydrophobicContact CG-CD1 4Å; K726-L730 HydrophobicContact CG-CG 4.38Å; K726-L730 WeakPolarHBondContact O-CG 3.28Å; K726-L730 PolarHBondContact O-N 2.65Å; K726-E735 WeakPolarHBondContact CE-OE1 3.41Å; K726-E735 VanDerWaalsContact CE-OE2 3.25Å; K726-E735 WeakPolarHBondContact CE-OE2 3.29Å; K726-E735 IonicContact NZ-OE1 3.43Å; K726-E735 PolarHBondContact NZ-OE1 2.7Å; K726-E735 IonicContact NZ-OE2 2.7Å; K726-E735 PolarHBondContact NZ-OE2 3.43Å; K726-Y740 HydrophobicContact CG-CE2 4.38Å; K726-D760 HydrophobicContact CB-CB 4.3Å; K726-D760 PolarHBondContact N-O 3.25Å; K726-E761 WeakPolarHBondContact CD-OE1 3.3Å |
| 727 | N | 91.2 | Very high | 89.1 | Confident | 81 Ų | 81 | 46.7 Ų | 46.7 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.2 | -27.9 | -179.1 | -76.5 | -38.8 | 0 | 0 | 0 | 113.2 | A723 T724 F731 | A723-N727 HydrophobicContact CB-CB 3.87Å; T724-N727 PolarHBondContact O-N 3.46Å; T724-N727 WeakPolarHBondContact OG1-CB 3.21Å; T724-N727 PolarHBondContact OG1-N 3.24Å; T724-N727 PolarHBondContact OG1-ND2 2.66Å; N727-F731 WeakPolarHBondContact O-CA 3.31Å; N727-F731 PolarHBondContact O-N 3.08Å |
| 728 | N | 92.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 172.6 | -92.8 | -81.2 | 0 | 0 | 0 | 112.8 | I720 L721 A723 T724 V725 K726 I764 L779 R783 | I720-N728 WeakPolarHBondContact CG2-OD1 3.43Å; L721-N728 WeakPolarHBondContact CB-OD1 3.32Å; L721-N728 PolarHBondContact N-OD1 3.13Å; L721-N728 PolarHBondContact O-ND2 3Å; L721-N728 PolarHBondContact O-OD1 2.92Å; A723-N728 PolarHBondContact O-ND2 2.91Å; T724-N728 PolarHBondContact O-N 3.08Å; T724-N728 PolarHBondContact O-ND2 3.11Å; T724-N728 VanDerWaalsContact O-ND2 3.12Å; V725-N728 WeakPolarHBondContact O-CB 3.48Å; V725-N728 PolarHBondContact O-N 2.65Å; K726-N728 VanDerWaalsContact C-N 3.25Å; K726-N728 PolarHBondContact O-N 3.09Å; N728-I764 HydrophobicContact CB-CD1 4.13Å; N728-I764 VanDerWaalsContact ND2-CD1 3.34Å; N728-I764 WeakPolarHBondContact ND2-CD1 3.43Å; N728-L779 HydrophobicContact CB-CD1 4.17Å; N728-L779 HydrophobicContact CB-CD2 4.1Å; N728-L779 HydrophobicContact CB-CG 4.33Å; N728-R783 WeakPolarHBondContact O-CD 3.49Å; N728-R783 WeakPolarHBondContact O-CG 3.34Å |
| 729 | V | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69 | -46.3 | 176.3 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | V725 K726 F731 Y740 L779 A782 Y786 | V725-V729 PolarHBondContact O-N 2.98Å; V725-V729 VanDerWaalsContact O-N 3.15Å; K726-V729 PolarHBondContact O-N 2.63Å; K726-V729 VanDerWaalsContact O-N 3.14Å; V729-F731 PolarHBondContact O-N 3.21Å; V729-Y740 HydrophobicContact CB-CD2 4.37Å; V729-Y740 HydrophobicContact CB-CE2 3.8Å; V729-Y740 HydrophobicContact CG1-CD2 3.84Å; V729-Y740 HydrophobicContact CG1-CE2 3.72Å; V729-Y740 HydrophobicContact CG2-CE2 4.18Å; V729-L779 HydrophobicContact CG2-CD1 3.51Å; V729-A782 HydrophobicContact CG1-CB 4.49Å; V729-A782 HydrophobicContact CG2-CB 4.14Å; V729-Y786 HydrophobicContact CG1-CD2 4.22Å; V729-Y786 HydrophobicContact CG1-CG 4.01Å |
| 730 | L | 92.9 | Very high | 90 | Very high | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 179.1 | -64.9 | -179.7 | 0 | 0 | 0 | 112 | K726 Y732 S733 E735 Y740 Y786 Q787 | K726-L730 HydrophobicContact CG-CD1 4Å; K726-L730 HydrophobicContact CG-CG 4.38Å; K726-L730 WeakPolarHBondContact O-CG 3.28Å; K726-L730 PolarHBondContact O-N 2.65Å; L730-Y732 PolarHBondContact O-N 2.85Å; L730-S733 PolarHBondContact O-N 2.8Å; L730-E735 HydrophobicContact CD1-CB 4.12Å; L730-E735 HydrophobicContact CD1-CG 4.39Å; L730-E735 HydrophobicContact CD2-CB 4.25Å; L730-E735 HydrophobicContact CD2-CG 4.36Å; L730-Y740 HydrophobicContact CD2-CD2 4.4Å; L730-Y786 HydrophobicContact CD2-CD1 4.26Å; L730-Y786 HydrophobicContact CD2-CE1 3.42Å; L730-Y786 VanDerWaalsContact CD2-CE1 3.42Å; L730-Y786 HydrophobicContact CD2-CE2 4.14Å; L730-Y786 VanDerWaalsContact CD2-OH 3.27Å; L730-Y786 WeakPolarHBondContact CD2-OH 3.35Å; L730-Q787 PolarHBondContact O-NE2 3.3Å |
| 731 | F | 90.1 | Very high | 90.3 | Very high | 14 Ų | 14 | 55.1 Ų | 55.1 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -91.2 | -178.8 | -169.7 | -133.2 | 0 | 0 | 0 | 113 | W719 L721 N727 V729 R783 Y1155 A1157 F1161 | W719-F731 AromaticContact CH2-CE2 3.6Å; W719-F731 HydrophobicContact CH2-CE2 3.6Å; W719-F731 AromaticContact CH2-CZ 3.76Å; W719-F731 HydrophobicContact CH2-CZ 3.76Å; W719-F731 AromaticContact CZ3-CE2 3.71Å; W719-F731 HydrophobicContact CZ3-CE2 3.71Å; W719-F731 AromaticContact CZ3-CZ 3.71Å; W719-F731 HydrophobicContact CZ3-CZ 3.71Å; L721-F731 HydrophobicContact CD1-CD2 3.71Å; L721-F731 HydrophobicContact CD1-CE2 3.84Å; N727-F731 WeakPolarHBondContact O-CA 3.31Å; N727-F731 PolarHBondContact O-N 3.08Å; V729-F731 PolarHBondContact O-N 3.21Å; F731-R783 HydrophobicContact CB-CG 4.04Å; F731-R783 HydrophobicContact CG-CG 4.37Å; F731-Y1155 HydrophobicContact CD1-CD2 4.45Å; F731-Y1155 AromaticContact CE1-CD2 3.73Å; F731-Y1155 HydrophobicContact CE1-CD2 3.73Å; F731-Y1155 HydrophobicContact CE1-CE2 4.45Å; F731-Y1155 HydrophobicContact CE1-CG 4.02Å; F731-Y1155 HydrophobicContact CZ-CD2 4.36Å; F731-A1157 HydrophobicContact CE1-CB 4.05Å; F731-A1157 HydrophobicContact CZ-CB 4.33Å; F731-F1161 AromaticContact CE2-CE2 3.83Å; F731-F1161 HydrophobicContact CE2-CE2 3.83Å; F731-F1161 AromaticContact CE2-CZ 3.69Å; F731-F1161 HydrophobicContact CE2-CZ 3.69Å; F731-F1161 AromaticContact CZ-CE2 3.63Å; F731-F1161 HydrophobicContact CZ-CE2 3.63Å; F731-F1161 AromaticContact CZ-CZ 4Å; F731-F1161 HydrophobicContact CZ-CZ 4Å |
| 732 | Y | 88.1 | Confident | 90.6 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 33% | 0.333 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -3.1 | 172.2 | 64.2 | -100.8 | 0 | 0 | 0 | 113.6 | L730 Q787 Y1155 A1157 | L730-Y732 PolarHBondContact O-N 2.85Å; Y732-Q787 VanDerWaalsContact CZ-OE1 3.31Å; Y732-Y1155 PolarHBondContact OH-O 2.99Å; Y732-A1157 HydrophobicContact CD1-CB 3.84Å; Y732-A1157 HydrophobicContact CE1-CB 3.85Å |
| 733 | S | 88.1 | Confident | 91.2 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -82 | 148.2 | -178.2 | -78.4 | 0 | 0 | 0 | 0 | 111.3 | L730 Q787 | L730-S733 PolarHBondContact O-N 2.8Å; S733-Q787 PolarHBondContact OG-OE1 3.49Å |
| 734 | P | 90.7 | Very high | 91.6 | Very high | 98 Ų | 98 | 56.9 Ų | 56.9 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -64 | 154.6 | 175.4 | 28.3 | -34.4 | 0 | 0 | 0 | 111.3 | Q736 Y786 | P734-Q736 PolarHBondContact O-N 2.8Å; P734-Y786 PolarHBondContact O-OH 3.23Å |
| 735 | E | 89.5 | Confident | 91.9 | Very high | 100 Ų | 100 | 59.2 Ų | 59.2 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 124.8 | 178.7 | -174.2 | 177.5 | 174.4 | 0 | 0 | 111.5 | K726 L730 P737 Y786 | K726-E735 WeakPolarHBondContact CE-OE1 3.41Å; K726-E735 VanDerWaalsContact CE-OE2 3.25Å; K726-E735 WeakPolarHBondContact CE-OE2 3.29Å; K726-E735 IonicContact NZ-OE1 3.43Å; K726-E735 PolarHBondContact NZ-OE1 2.7Å; K726-E735 IonicContact NZ-OE2 2.7Å; K726-E735 PolarHBondContact NZ-OE2 3.43Å; L730-E735 HydrophobicContact CD1-CB 4.12Å; L730-E735 HydrophobicContact CD1-CG 4.39Å; L730-E735 HydrophobicContact CD2-CB 4.25Å; L730-E735 HydrophobicContact CD2-CG 4.36Å; E735-P737 HydrophobicContact CG-CG 4.46Å; E735-Y786 WeakPolarHBondContact CA-OH 3.47Å |
| 736 | Q | 92.3 | Very high | 92 | Very high | 108 Ų | 108 | 59.5 Ų | 59.5 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | trans | -122.2 | 94.1 | 173.1 | -66.1 | -177.5 | 2.4 | 0 | 0 | 107.8 | P734 E738 F739 Y740 Y786 | P734-Q736 PolarHBondContact O-N 2.8Å; Q736-E738 VanDerWaalsContact C-N 3.33Å; Q736-E738 PolarHBondContact O-N 2.8Å; Q736-F739 HydrophobicContact CB-CB 4.12Å; Q736-F739 PolarHBondContact O-N 3.27Å; Q736-Y740 WeakPolarHBondContact O-CB 3.36Å; Q736-Y740 PolarHBondContact O-N 3.4Å; Q736-Y786 PolarHBondContact N-OH 2.83Å | ||
| 737 | P | 90.8 | Very high | 92.1 | Very high | 75 Ų | 75 | 58.1 Ų | 58.1 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.2 | -38.6 | -166.8 | -28.7 | 35.1 | 0 | 0 | 0 | 115 | E735 K741 | E735-P737 HydrophobicContact CG-CG 4.46Å; P737-K741 WeakPolarHBondContact O-CG 3.36Å; P737-K741 PolarHBondContact O-N 3.06Å; P737-K741 VanDerWaalsContact O-N 3.13Å |
| 738 | E | 92.7 | Very high | 92.1 | Very high | 175 Ų | 175 | 55.3 Ų | 55.3 | 82% | 0.818 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -70.1 | -44.7 | 179.8 | -64.1 | -171.4 | 167.5 | 0 | 0 | 112.1 | Q736 K741 K742 | Q736-E738 VanDerWaalsContact C-N 3.33Å; Q736-E738 PolarHBondContact O-N 2.8Å; E738-K741 PolarHBondContact O-N 3.13Å; E738-K742 WeakPolarHBondContact O-CB 3.4Å; E738-K742 PolarHBondContact O-N 3.38Å; E738-K742 VanDerWaalsContact O-N 3.09Å |
| 739 | F | 92.9 | Very high | 91.9 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 24% | 0.237 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 177.9 | -173 | -124.1 | 0 | 0 | 0 | 111.1 | Q736 K741 K742 V743 Y786 | Q736-F739 HydrophobicContact CB-CB 4.12Å; Q736-F739 PolarHBondContact O-N 3.27Å; F739-K741 PolarHBondContact O-N 3.39Å; F739-K742 WeakPolarHBondContact O-CB 3.29Å; F739-K742 PolarHBondContact O-N 3.26Å; F739-V743 HydrophobicContact CD1-CG2 4.29Å; F739-V743 HydrophobicContact CD2-CG2 4.2Å; F739-V743 HydrophobicContact CE1-CG2 4.01Å; F739-V743 HydrophobicContact CE2-CG2 3.89Å; F739-V743 HydrophobicContact CG-CG2 4.39Å; F739-V743 HydrophobicContact CZ-CG2 3.79Å; F739-V743 WeakPolarHBondContact O-CG2 3.47Å; F739-V743 PolarHBondContact O-N 3.18Å; F739-Y786 AromaticContact CD1-CD2 3.7Å; F739-Y786 HydrophobicContact CD1-CD2 3.7Å; F739-Y786 AromaticContact CD1-CE2 3.73Å; F739-Y786 HydrophobicContact CD1-CE2 3.73Å; F739-Y786 HydrophobicContact CD1-CG 4.49Å; F739-Y786 AromaticContact CE1-CD2 4Å; F739-Y786 HydrophobicContact CE1-CD2 4Å; F739-Y786 HydrophobicContact CE1-CE2 4.45Å; F739-Y786 HydrophobicContact CE1-CG 4.43Å |
| 740 | Y | 93.9 | Very high | 91.7 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.2 | -52.6 | 174.4 | 177.2 | -99.5 | 0 | 0 | 0 | 111.7 | K726 V729 L730 Q736 K742 V743 V744 Y786 | K726-Y740 HydrophobicContact CG-CE2 4.38Å; V729-Y740 HydrophobicContact CB-CD2 4.37Å; V729-Y740 HydrophobicContact CB-CE2 3.8Å; V729-Y740 HydrophobicContact CG1-CD2 3.84Å; V729-Y740 HydrophobicContact CG1-CE2 3.72Å; V729-Y740 HydrophobicContact CG2-CE2 4.18Å; L730-Y740 HydrophobicContact CD2-CD2 4.4Å; Q736-Y740 WeakPolarHBondContact O-CB 3.36Å; Q736-Y740 PolarHBondContact O-N 3.4Å; Y740-K742 VanDerWaalsContact C-N 3.28Å; Y740-K742 PolarHBondContact O-N 3.25Å; Y740-V743 PolarHBondContact O-N 2.94Å; Y740-V744 HydrophobicContact CD1-CG2 4.24Å; Y740-V744 HydrophobicContact CD2-CG2 4.29Å; Y740-V744 HydrophobicContact CE1-CG2 3.84Å; Y740-V744 HydrophobicContact CE2-CG2 3.89Å; Y740-V744 HydrophobicContact CG-CG2 4.45Å; Y740-V744 WeakPolarHBondContact O-CB 3.39Å; Y740-V744 VanDerWaalsContact O-CG2 3.3Å; Y740-V744 WeakPolarHBondContact O-CG2 3.42Å; Y740-V744 PolarHBondContact O-N 3.36Å; Y740-Y786 HydrophobicContact CD2-CE2 4.37Å |
| 741 | K | 93.2 | Very high | 91.3 | Very high | 155 Ų | 155 | 60.2 Ų | 60.2 | 67% | 0.674 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.1 | -41.1 | 177.4 | -75.4 | 179 | 179.3 | -177.4 | 0 | 112.2 | P737 E738 F739 S745 | P737-K741 WeakPolarHBondContact O-CG 3.36Å; P737-K741 PolarHBondContact O-N 3.06Å; P737-K741 VanDerWaalsContact O-N 3.13Å; E738-K741 PolarHBondContact O-N 3.13Å; F739-K741 PolarHBondContact O-N 3.39Å; K741-S745 WeakPolarHBondContact O-CB 3.45Å; K741-S745 PolarHBondContact O-N 3.11Å |
| 742 | K | 93.6 | Very high | 91.1 | Very high | 127 Ų | 127 | 60.1 Ų | 60.1 | 55% | 0.552 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 178.4 | -163.8 | -175.8 | -169.3 | -173.3 | 0 | 112.3 | E738 F739 Y740 A746 L819 | E738-K742 WeakPolarHBondContact O-CB 3.4Å; E738-K742 PolarHBondContact O-N 3.38Å; E738-K742 VanDerWaalsContact O-N 3.09Å; F739-K742 WeakPolarHBondContact O-CB 3.29Å; F739-K742 PolarHBondContact O-N 3.26Å; Y740-K742 VanDerWaalsContact C-N 3.28Å; Y740-K742 PolarHBondContact O-N 3.25Å; K742-A746 VanDerWaalsContact O-CB 3.29Å; K742-A746 WeakPolarHBondContact O-CB 3.37Å; K742-A746 PolarHBondContact O-N 3.08Å; K742-L819 HydrophobicContact CD-CD2 3.71Å; K742-L819 VanDerWaalsContact CE-CD2 3.41Å; K742-L819 HydrophobicContact CG-CD2 4.04Å |
| 743 | V | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 178 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | F739 Y740 S745 A746 C747 A782 V785 Y786 L819 | F739-V743 HydrophobicContact CD1-CG2 4.29Å; F739-V743 HydrophobicContact CD2-CG2 4.2Å; F739-V743 HydrophobicContact CE1-CG2 4.01Å; F739-V743 HydrophobicContact CE2-CG2 3.89Å; F739-V743 HydrophobicContact CG-CG2 4.39Å; F739-V743 HydrophobicContact CZ-CG2 3.79Å; F739-V743 WeakPolarHBondContact O-CG2 3.47Å; F739-V743 PolarHBondContact O-N 3.18Å; Y740-V743 PolarHBondContact O-N 2.94Å; V743-S745 VanDerWaalsContact C-N 3.33Å; V743-S745 PolarHBondContact O-N 3.12Å; V743-A746 PolarHBondContact O-N 3.3Å; V743-C747 WeakPolarHBondContact O-CB 3.43Å; V743-C747 PolarHBondContact O-N 3.37Å; V743-A782 HydrophobicContact CG1-CB 4.04Å; V743-A782 WeakPolarHBondContact CG1-O 3.48Å; V743-V785 HydrophobicContact CG1-CB 4.04Å; V743-V785 HydrophobicContact CG1-CG1 4.07Å; V743-V785 HydrophobicContact CG2-CG1 3.81Å; V743-Y786 HydrophobicContact CG2-CD2 4.41Å; V743-L819 HydrophobicContact CG2-CD1 4.21Å |
| 744 | V | 93.5 | Very high | 90.8 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 178 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | Y740 N748 L749 D750 I753 | Y740-V744 HydrophobicContact CD1-CG2 4.24Å; Y740-V744 HydrophobicContact CD2-CG2 4.29Å; Y740-V744 HydrophobicContact CE1-CG2 3.84Å; Y740-V744 HydrophobicContact CE2-CG2 3.89Å; Y740-V744 HydrophobicContact CG-CG2 4.45Å; Y740-V744 WeakPolarHBondContact O-CB 3.39Å; Y740-V744 VanDerWaalsContact O-CG2 3.3Å; Y740-V744 WeakPolarHBondContact O-CG2 3.42Å; Y740-V744 PolarHBondContact O-N 3.36Å; V744-N748 PolarHBondContact O-N 3.41Å; V744-L749 HydrophobicContact CG1-CB 4.19Å; V744-L749 PolarHBondContact O-N 3.28Å; V744-D750 HydrophobicContact CG1-CB 4.09Å; V744-I753 HydrophobicContact CG1-CD1 3.67Å; V744-I753 HydrophobicContact CG2-CD1 4.46Å |
| 745 | S | 93.5 | Very high | 90.1 | Very high | 63 Ų | 63 | 63.3 Ų | 63.3 | 44% | 0.441 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67 | -44.2 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | K741 V743 C747 N748 H808 | K741-S745 WeakPolarHBondContact O-CB 3.45Å; K741-S745 PolarHBondContact O-N 3.11Å; V743-S745 VanDerWaalsContact C-N 3.33Å; V743-S745 PolarHBondContact O-N 3.12Å; S745-C747 VanDerWaalsContact C-N 3.31Å; S745-C747 PolarHBondContact O-N 3.45Å; S745-N748 PolarHBondContact O-N 3.11Å; S745-H808 PolarHBondContact O-CE1 3.42Å |
| 746 | A | 93.1 | Very high | 89.5 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 7% | 0.066 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -34.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | K742 V743 N748 H808 H812 V813 L819 | K742-A746 VanDerWaalsContact O-CB 3.29Å; K742-A746 WeakPolarHBondContact O-CB 3.37Å; K742-A746 PolarHBondContact O-N 3.08Å; V743-A746 PolarHBondContact O-N 3.3Å; A746-N748 PolarHBondContact O-N 3.46Å; A746-H808 PolarHBondContact O-CE1 3.46Å; A746-H808 PolarHBondContact O-ND1 2.92Å; A746-H812 HydrophobicContact CB-CB 4.13Å; A746-V813 HydrophobicContact CB-CG2 3.87Å; A746-L819 HydrophobicContact CB-CD1 3.51Å; A746-L819 HydrophobicContact CB-CG 4.11Å |
| 747 | C | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 2.7 | 174 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | V743 S745 L749 R778 A782 | V743-C747 WeakPolarHBondContact O-CB 3.43Å; V743-C747 PolarHBondContact O-N 3.37Å; S745-C747 VanDerWaalsContact C-N 3.31Å; S745-C747 PolarHBondContact O-N 3.45Å; C747-L749 PolarHBondContact O-N 2.88Å; C747-R778 VanDerWaalsContact O-CD 3.24Å; C747-R778 WeakPolarHBondContact O-CD 3.29Å; C747-A782 HydrophobicContact CB-CB 4.29Å |
| 748 | N | 91.1 | Very high | 87.7 | Confident | 23 Ų | 23 | 58.9 Ų | 58.9 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 39.4 | -175.3 | -163.4 | 10.5 | 0 | 0 | 0 | 112.5 | V744 S745 A746 V751 R778 V805 | V744-N748 PolarHBondContact O-N 3.41Å; S745-N748 PolarHBondContact O-N 3.11Å; A746-N748 PolarHBondContact O-N 3.46Å; N748-V751 VanDerWaalsContact OD1-CG2 3.27Å; N748-V751 WeakPolarHBondContact OD1-CG2 3.38Å; N748-R778 PolarHBondContact O-NH1 3.46Å; N748-V805 HydrophobicContact CB-CG1 4.32Å |
| 749 | L | 89.6 | Confident | 87.3 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | trans | -92.8 | -12.7 | 178.7 | -166.5 | 74.8 | 0 | 0 | 0 | 111 | V725 V744 C747 V751 D752 I753 R778 L779 | V725-L749 HydrophobicContact CG1-CD2 4.21Å; V744-L749 HydrophobicContact CG1-CB 4.19Å; V744-L749 PolarHBondContact O-N 3.28Å; C747-L749 PolarHBondContact O-N 2.88Å; L749-V751 VanDerWaalsContact C-N 3.33Å; L749-V751 PolarHBondContact O-N 2.84Å; L749-D752 HydrophobicContact CD1-CB 4.41Å; L749-D752 PolarHBondContact O-N 3.35Å; L749-I753 HydrophobicContact CD2-CD1 3.99Å; L749-I753 HydrophobicContact CG-CD1 3.97Å; L749-I753 HydrophobicContact CG-CG1 4.24Å; L749-I753 WeakPolarHBondContact O-CB 3.36Å; L749-I753 VanDerWaalsContact O-CG1 3.24Å; L749-I753 WeakPolarHBondContact O-CG1 3.15Å; L749-I753 PolarHBondContact O-N 2.95Å; L749-R778 HydrophobicContact CD1-CB 4.13Å; L749-L779 HydrophobicContact CD2-CD1 4.07Å | ||
| 750 | D | 89.1 | Confident | 87.1 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -35.3 | 177.7 | 63.5 | -51 | 0 | 0 | 0 | 112.7 | V744 K754 | V744-D750 HydrophobicContact CG1-CB 4.09Å; D750-K754 WeakPolarHBondContact O-CD 3.36Å; D750-K754 VanDerWaalsContact O-CG 3.25Å; D750-K754 WeakPolarHBondContact O-CG 3.43Å; D750-K754 PolarHBondContact O-N 3.44Å; D750-K754 VanDerWaalsContact O-N 3.11Å; D750-K754 IonicContact OD2-NZ 3.33Å |
| 751 | V | 84.8 | Confident | 86.7 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 110 | N748 L749 I753 K754 | N748-V751 VanDerWaalsContact OD1-CG2 3.27Å; N748-V751 WeakPolarHBondContact OD1-CG2 3.38Å; L749-V751 VanDerWaalsContact C-N 3.33Å; L749-V751 PolarHBondContact O-N 2.84Å; V751-I753 PolarHBondContact O-N 2.93Å; V751-K754 PolarHBondContact O-N 3.41Å |
| 752 | D | 84.5 | Confident | 86 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 179.1 | -58.6 | -57.1 | 0 | 0 | 0 | 112.1 | L749 K754 D755 M756 Q775 R778 | L749-D752 HydrophobicContact CD1-CB 4.41Å; L749-D752 PolarHBondContact O-N 3.35Å; D752-K754 VanDerWaalsContact C-N 3.32Å; D752-K754 PolarHBondContact O-N 3.39Å; D752-D755 PolarHBondContact O-N 3.27Å; D752-M756 HydrophobicContact CB-CE 4.26Å; D752-M756 WeakPolarHBondContact O-CG 3.46Å; D752-Q775 HydrophobicContact CB-CG 4.39Å; D752-Q775 WeakPolarHBondContact OD1-CG 3.33Å; D752-Q775 PolarHBondContact OD1-NE2 3.35Å; D752-R778 IonicContact OD1-CZ 2.63Å; D752-R778 IonicContact OD1-NH1 3.54Å; D752-R778 IonicContact OD1-NH2 3.46Å; D752-R778 PolarHBondContact OD1-NH2 3.49Å; D752-R778 IonicContact OD2-CZ 2.7Å; D752-R778 IonicContact OD2-NE 3.82Å; D752-R778 PolarHBondContact OD2-NE 3.13Å; D752-R778 IonicContact OD2-NH1 2.79Å; D752-R778 PolarHBondContact OD2-NH1 2.79Å; D752-R778 IonicContact OD2-NH2 2.96Å; D752-R778 PolarHBondContact OD2-NH2 3.16Å |
| 753 | I | 86.6 | Confident | 85.3 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.8 | -35.8 | -178.4 | -74.7 | 167 | 0 | 0 | 0 | 111.1 | V725 V744 L749 V751 D755 M756 Y759 D760 | V725-I753 HydrophobicContact CG1-CD1 4.2Å; V725-I753 HydrophobicContact CG1-CG1 4.28Å; V744-I753 HydrophobicContact CG1-CD1 3.67Å; V744-I753 HydrophobicContact CG2-CD1 4.46Å; L749-I753 HydrophobicContact CD2-CD1 3.99Å; L749-I753 HydrophobicContact CG-CD1 3.97Å; L749-I753 HydrophobicContact CG-CG1 4.24Å; L749-I753 WeakPolarHBondContact O-CB 3.36Å; L749-I753 VanDerWaalsContact O-CG1 3.24Å; L749-I753 WeakPolarHBondContact O-CG1 3.15Å; L749-I753 PolarHBondContact O-N 2.95Å; V751-I753 PolarHBondContact O-N 2.93Å; I753-D755 PolarHBondContact O-N 3.41Å; I753-M756 PolarHBondContact O-N 2.89Å; I753-M756 VanDerWaalsContact O-N 3.14Å; I753-Y759 HydrophobicContact CG2-CD1 4.42Å; I753-Y759 WeakPolarHBondContact O-CA 3.47Å; I753-D760 HydrophobicContact CD1-CB 4.45Å; I753-D760 HydrophobicContact CG2-CB 4.25Å |
| 754 | K | 85 | Confident | 84.4 | Confident | 132 Ų | 132 | 53.7 Ų | 53.7 | 57% | 0.574 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.8 | -31.4 | 176.8 | -76.9 | 166.4 | -175.4 | 165.6 | 0 | 112.6 | D750 V751 D752 M756 | D750-K754 WeakPolarHBondContact O-CD 3.36Å; D750-K754 VanDerWaalsContact O-CG 3.25Å; D750-K754 WeakPolarHBondContact O-CG 3.43Å; D750-K754 PolarHBondContact O-N 3.44Å; D750-K754 VanDerWaalsContact O-N 3.11Å; D750-K754 IonicContact OD2-NZ 3.33Å; V751-K754 PolarHBondContact O-N 3.41Å; D752-K754 VanDerWaalsContact C-N 3.32Å; D752-K754 PolarHBondContact O-N 3.39Å; K754-M756 VanDerWaalsContact C-N 3.32Å |
| 755 | D | 75.2 | Confident | 83.1 | Confident | 134 Ų | 134 | 53.8 Ų | 53.8 | 72% | 0.717 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.9 | 179.2 | -62.9 | -20.5 | 0 | 0 | 0 | 113 | D752 I753 | D752-D755 PolarHBondContact O-N 3.27Å; I753-D755 PolarHBondContact O-N 3.41Å |
| 756 | M | 76.2 | Confident | 81.5 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -84 | 144.5 | -178.9 | -61.4 | -170.1 | -166.4 | 0 | 0 | 112.8 | V725 D752 I753 K754 K758 Y759 T762 L771 | V725-M756 HydrophobicContact CG2-CE 4.12Å; V725-M756 HydrophobicContact CG2-SD 3.63Å; D752-M756 HydrophobicContact CB-CE 4.26Å; D752-M756 WeakPolarHBondContact O-CG 3.46Å; I753-M756 PolarHBondContact O-N 2.89Å; I753-M756 VanDerWaalsContact O-N 3.14Å; K754-M756 VanDerWaalsContact C-N 3.32Å; M756-K758 VanDerWaalsContact C-N 3.32Å; M756-K758 PolarHBondContact O-N 3.41Å; M756-K758 VanDerWaalsContact O-N 3.15Å; M756-Y759 PolarHBondContact O-N 3.18Å; M756-Y759 VanDerWaalsContact O-N 3.14Å; M756-T762 HydrophobicContact CB-CG2 4.3Å; M756-T762 WeakPolarHBondContact CB-OG1 3.25Å; M756-T762 HydrophobicContact SD-CG2 4.37Å; M756-L771 HydrophobicContact CE-CD2 3.56Å |
| 757 | P | 69.6 | Low | 80.1 | Confident | 77 Ų | 77 | 61.6 Ų | 61.6 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -35 | -173.8 | -26.3 | 33.4 | 0 | 0 | 0 | 116.1 | ||
| 758 | K | 76.1 | Confident | 78.8 | Confident | 86 Ų | 86 | 61.6 Ų | 61.6 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 30.3 | 178.1 | -86.4 | -170 | 169.9 | 164.6 | 0 | 111.7 | M756 D760 E761 T762 D926 A929 | M756-K758 VanDerWaalsContact C-N 3.32Å; M756-K758 PolarHBondContact O-N 3.41Å; M756-K758 VanDerWaalsContact O-N 3.15Å; K758-D760 PolarHBondContact O-N 2.92Å; K758-E761 HydrophobicContact CB-CB 4.44Å; K758-E761 PolarHBondContact O-N 3.37Å; K758-E761 VanDerWaalsContact O-N 3.14Å; K758-T762 PolarHBondContact N-OG1 3.34Å; K758-T762 VanDerWaalsContact N-OG1 3.15Å; K758-D926 IonicContact NZ-OD1 3.8Å; K758-D926 PolarHBondContact NZ-OD1 3.3Å; K758-A929 HydrophobicContact CD-CB 3.46Å; K758-A929 VanDerWaalsContact CD-CB 3.46Å; K758-A929 HydrophobicContact CG-CB 3.6Å |
| 759 | Y | 85.5 | Confident | 77.5 | Confident | 143 Ų | 143 | 62.9 Ų | 62.9 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | 50.7 | -125.2 | -174 | -58.2 | -80 | 0 | 0 | 0 | 110.9 | I753 M756 T762 | I753-Y759 HydrophobicContact CG2-CD1 4.42Å; I753-Y759 WeakPolarHBondContact O-CA 3.47Å; M756-Y759 PolarHBondContact O-N 3.18Å; M756-Y759 VanDerWaalsContact O-N 3.14Å; Y759-T762 WeakPolarHBondContact O-CB 2.95Å; Y759-T762 PolarHBondContact O-N 3.22Å; Y759-T762 PolarHBondContact O-OG1 2.93Å |
| 760 | D | 87.6 | Confident | 76.5 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 23% | 0.225 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -79.1 | -13.1 | -176 | 62.5 | -19.5 | 0 | 0 | 0 | 114.7 | V725 K726 I753 K758 T762 | V725-D760 WeakPolarHBondContact CB-O 3.27Å; V725-D760 PolarHBondContact N-O 2.98Å; K726-D760 HydrophobicContact CB-CB 4.3Å; K726-D760 PolarHBondContact N-O 3.25Å; I753-D760 HydrophobicContact CD1-CB 4.45Å; I753-D760 HydrophobicContact CG2-CB 4.25Å; K758-D760 PolarHBondContact O-N 2.92Å; D760-T762 PolarHBondContact O-N 3.35Å |
| 761 | E | 85.2 | Confident | 75.6 | Confident | 89 Ų | 89 | 64.6 Ų | 64.6 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -84.4 | 5.1 | 172.8 | -67.2 | -63.5 | 164.3 | 0 | 0 | 112.8 | T724 K726 K758 E763 | T724-E761 WeakPolarHBondContact CG2-O 3.49Å; K726-E761 WeakPolarHBondContact CD-OE1 3.3Å; K758-E761 HydrophobicContact CB-CB 4.44Å; K758-E761 PolarHBondContact O-N 3.37Å; K758-E761 VanDerWaalsContact O-N 3.14Å; E761-E763 PolarHBondContact O-N 3.26Å |
| 762 | T | 80.3 | Confident | 75 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 8% | 0.08 | 31% | 0.312 | C | S | . | . | trans | -68.6 | 129.6 | 176.1 | -54.4 | 0 | 0 | 0 | 0 | 111 | T724 V725 M756 K758 Y759 D760 | T724-T762 WeakPolarHBondContact CA-O 3.36Å; V725-T762 PolarHBondContact N-O 3.36Å; V725-T762 VanDerWaalsContact N-O 3.16Å; M756-T762 HydrophobicContact CB-CG2 4.3Å; M756-T762 WeakPolarHBondContact CB-OG1 3.25Å; M756-T762 HydrophobicContact SD-CG2 4.37Å; K758-T762 PolarHBondContact N-OG1 3.34Å; K758-T762 VanDerWaalsContact N-OG1 3.15Å; Y759-T762 WeakPolarHBondContact O-CB 2.95Å; Y759-T762 PolarHBondContact O-N 3.22Å; Y759-T762 PolarHBondContact O-OG1 2.93Å; D760-T762 PolarHBondContact O-N 3.35Å | ||
| 763 | E | 77.5 | Confident | 74.3 | Confident | 129 Ų | 129 | 64.3 Ų | 64.3 | 60% | 0.603 | 33% | 0.331 | S | S | * | . | B | Isolated β-bridge | trans | -76 | 128.1 | 175.2 | -67.6 | -174.5 | 173.2 | 0 | 0 | 111.6 | T724 E761 N770 | T724-E763 HydrophobicContact CG2-CG 4.26Å; E761-E763 PolarHBondContact O-N 3.26Å; E763-N770 PolarHBondContact O-ND2 3.17Å; E763-N770 VanDerWaalsContact O-ND2 3.13Å |
| 764 | I | 75 | Confident | 73.9 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | trans | -84.1 | -16 | -170.6 | -46.2 | -179.8 | 0 | 0 | 0 | 112.3 | I720 A723 V725 N728 G768 S769 N770 L771 L779 | I720-I764 HydrophobicContact CG2-CD1 4Å; I720-I764 HydrophobicContact CG2-CG2 4.14Å; A723-I764 WeakPolarHBondContact O-CG1 3.21Å; A723-I764 PolarHBondContact O-N 3Å; V725-I764 HydrophobicContact CB-CD1 4.31Å; V725-I764 HydrophobicContact CG2-CD1 3.84Å; V725-I764 HydrophobicContact CG2-CG1 3.81Å; N728-I764 HydrophobicContact CB-CD1 4.13Å; N728-I764 VanDerWaalsContact ND2-CD1 3.34Å; N728-I764 WeakPolarHBondContact ND2-CD1 3.43Å; I764-G768 VanDerWaalsContact CG2-CA 3.5Å; I764-G768 CarbonylContact O-C 3.35Å; I764-G768 WeakPolarHBondContact O-CA 3.39Å; I764-S769 PolarHBondContact O-N 3.06Å; I764-N770 WeakPolarHBondContact O-CB 3.41Å; I764-N770 PolarHBondContact O-N 3.19Å; I764-N770 PolarHBondContact O-ND2 3.47Å; I764-L771 HydrophobicContact CD1-CD1 4.21Å; I764-L771 HydrophobicContact CG2-CB 4.46Å; I764-L771 HydrophobicContact CG2-CD1 3.29Å; I764-L771 HydrophobicContact CG2-CD2 4.37Å; I764-L771 HydrophobicContact CG2-CG 3.43Å; I764-L771 VanDerWaalsContact CG2-CG 3.43Å; I764-L779 HydrophobicContact CD1-CD2 3.34Å | ||
| 765 | G | 66.1 | Low | 74 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | trans | 72.3 | 169.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N722 K767 G768 | N722-G765 VanDerWaalsContact OD1-CA 3.23Å; N722-G765 WeakPolarHBondContact OD1-CA 3.42Å; G765-K767 PolarHBondContact O-N 3.1Å; G765-G768 WeakPolarHBondContact O-CA 3.46Å; G765-G768 PolarHBondContact O-N 2.98Å | ||
| 766 | E | 61.1 | Low | 74.6 | Confident | 104 Ų | 104 | 55.3 Ų | 55.3 | 49% | 0.486 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -56 | 134.1 | 179.8 | -67.1 | -175.8 | 163.9 | 0 | 0 | 111.6 | N722 G768 S769 | N722-E766 HydrophobicContact CB-CG 4.43Å; N722-E766 PolarHBondContact OD1-N 2.71Å; E766-G768 PolarHBondContact O-N 3.14Å; E766-G768 VanDerWaalsContact O-N 3.11Å; E766-S769 VanDerWaalsContact O-CB 3.26Å; E766-S769 WeakPolarHBondContact O-CB 3.14Å; E766-S769 PolarHBondContact O-N 3.46Å; E766-S769 PolarHBondContact O-OG 2.69Å |
| 767 | K | 63.9 | Low | 75.2 | Confident | 132 Ų | 132 | 54.4 Ų | 54.4 | 57% | 0.574 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | 55.3 | 21.7 | -175.2 | -56.5 | -177.4 | 178.7 | -178 | 0 | 114.7 | G765 S769 K776 | G765-K767 PolarHBondContact O-N 3.1Å; K767-S769 VanDerWaalsContact C-N 3.3Å; K767-S769 PolarHBondContact O-N 3.21Å; K767-K776 PolarHBondContact O-NZ 2.87Å |
| 768 | G | 64.2 | Low | 76.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | 61.2 | 39.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I764 G765 E766 N770 L771 K776 | I764-G768 VanDerWaalsContact CG2-CA 3.5Å; I764-G768 CarbonylContact O-C 3.35Å; I764-G768 WeakPolarHBondContact O-CA 3.39Å; G765-G768 WeakPolarHBondContact O-CA 3.46Å; G765-G768 PolarHBondContact O-N 2.98Å; E766-G768 PolarHBondContact O-N 3.14Å; E766-G768 VanDerWaalsContact O-N 3.11Å; G768-N770 PolarHBondContact O-N 3.12Å; G768-L771 PolarHBondContact O-N 3.48Å; G768-K776 WeakPolarHBondContact O-CE 3.05Å; G768-K776 PolarHBondContact O-NZ 3.37Å |
| 769 | S | 65.3 | Low | 77 | Confident | 50 Ų | 50 | 48 Ų | 48 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -3 | -176.3 | 66.6 | 0 | 0 | 0 | 0 | 114.4 | K509 R512 I764 E766 K767 | K509-S769 PolarHBondContact NZ-O 3.36Å; R512-S769 VanDerWaalsContact CZ-O 3.31Å; R512-S769 PolarHBondContact NH1-O 3.23Å; R512-S769 PolarHBondContact NH2-O 2.97Å; I764-S769 PolarHBondContact O-N 3.06Å; E766-S769 VanDerWaalsContact O-CB 3.26Å; E766-S769 WeakPolarHBondContact O-CB 3.14Å; E766-S769 PolarHBondContact O-N 3.46Å; E766-S769 PolarHBondContact O-OG 2.69Å; K767-S769 VanDerWaalsContact C-N 3.3Å; K767-S769 PolarHBondContact O-N 3.21Å |
| 770 | N | 67.7 | Low | 77.4 | Confident | 72 Ų | 72 | 41.1 Ų | 41.1 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -20.4 | 170.6 | -61 | -20.1 | 0 | 0 | 0 | 114.9 | R512 E763 I764 G768 L931 | R512-N770 PolarHBondContact NH2-O 2.75Å; E763-N770 PolarHBondContact O-ND2 3.17Å; E763-N770 VanDerWaalsContact O-ND2 3.13Å; I764-N770 WeakPolarHBondContact O-CB 3.41Å; I764-N770 PolarHBondContact O-N 3.19Å; I764-N770 PolarHBondContact O-ND2 3.47Å; G768-N770 PolarHBondContact O-N 3.12Å; N770-L931 HydrophobicContact CB-CD1 4.48Å; N770-L931 WeakPolarHBondContact ND2-CD1 3.5Å |
| 771 | L | 71.2 | Confident | 77.7 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -95.3 | 148.8 | -176.4 | -61.9 | 177.3 | 0 | 0 | 0 | 114.9 | R512 M756 I764 G768 Q775 K776 L779 | R512-L771 PolarHBondContact NE-O 3.2Å; R512-L771 PolarHBondContact NH2-O 2.87Å; M756-L771 HydrophobicContact CE-CD2 3.56Å; I764-L771 HydrophobicContact CD1-CD1 4.21Å; I764-L771 HydrophobicContact CG2-CB 4.46Å; I764-L771 HydrophobicContact CG2-CD1 3.29Å; I764-L771 HydrophobicContact CG2-CD2 4.37Å; I764-L771 HydrophobicContact CG2-CG 3.43Å; I764-L771 VanDerWaalsContact CG2-CG 3.43Å; G768-L771 PolarHBondContact O-N 3.48Å; L771-Q775 HydrophobicContact CB-CB 3.97Å; L771-Q775 HydrophobicContact CD2-CB 4.26Å; L771-K776 HydrophobicContact CB-CG 3.72Å; L771-K776 HydrophobicContact CD1-CG 4.43Å; L771-K776 VanDerWaalsContact O-CE 3.25Å; L771-K776 WeakPolarHBondContact O-CE 3.18Å; L771-L779 HydrophobicContact CD1-CD2 3.6Å |
| 772 | S | 70.6 | Confident | 78.2 | Confident | 31 Ų | 31 | 35 Ų | 35 | 22% | 0.217 | 19% | 0.19 | C | C | . | . | trans | -68.5 | 162.5 | 170.4 | 80.2 | 0 | 0 | 0 | 0 | 112.1 | G774 Q775 K776 | S772-G774 VanDerWaalsContact C-N 3.33Å; S772-G774 PolarHBondContact O-N 2.86Å; S772-Q775 PolarHBondContact O-N 3.08Å; S772-Q775 WeakPolarHBondContact OG-CB 3.39Å; S772-Q775 VanDerWaalsContact OG-CG 3.26Å; S772-Q775 WeakPolarHBondContact OG-CG 3.4Å; S772-Q775 PolarHBondContact OG-N 3.15Å; S772-Q775 VanDerWaalsContact OG-N 3.14Å; S772-K776 VanDerWaalsContact O-CG 3.3Å; S772-K776 WeakPolarHBondContact O-CG 3.22Å; S772-K776 PolarHBondContact O-N 2.94Å | ||
| 773 | G | 69.7 | Low | 78.8 | Confident | 46 Ų | 46 | 34.5 Ų | 34.5 | 47% | 0.474 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -54.9 | -47.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K776 Q777 | G773-K776 PolarHBondContact O-N 3.37Å; G773-Q777 PolarHBondContact O-N 3.39Å |
| 774 | G | 79.6 | Confident | 79.6 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S772 Q777 R778 A800 | S772-G774 VanDerWaalsContact C-N 3.33Å; S772-G774 PolarHBondContact O-N 2.86Å; G774-Q777 PolarHBondContact O-N 3.34Å; G774-R778 WeakPolarHBondContact O-CB 3.45Å; G774-R778 WeakPolarHBondContact O-CG 3.46Å; G774-R778 PolarHBondContact O-N 2.86Å; G774-A800 WeakPolarHBondContact CA-O 3.45Å |
| 775 | Q | 86.8 | Confident | 80.6 | Confident | 42 Ų | 42 | 28.2 Ų | 28.2 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.7 | -41.9 | 174.1 | -76 | 172.7 | -17.7 | 0 | 0 | 112.3 | D752 L771 S772 Q777 R778 L779 | D752-Q775 HydrophobicContact CB-CG 4.39Å; D752-Q775 WeakPolarHBondContact OD1-CG 3.33Å; D752-Q775 PolarHBondContact OD1-NE2 3.35Å; L771-Q775 HydrophobicContact CB-CB 3.97Å; L771-Q775 HydrophobicContact CD2-CB 4.26Å; S772-Q775 PolarHBondContact O-N 3.08Å; S772-Q775 WeakPolarHBondContact OG-CB 3.39Å; S772-Q775 VanDerWaalsContact OG-CG 3.26Å; S772-Q775 WeakPolarHBondContact OG-CG 3.4Å; S772-Q775 PolarHBondContact OG-N 3.15Å; S772-Q775 VanDerWaalsContact OG-N 3.14Å; Q775-Q777 VanDerWaalsContact C-N 3.31Å; Q775-Q777 PolarHBondContact O-N 2.78Å; Q775-R778 PolarHBondContact O-N 3.45Å; Q775-L779 VanDerWaalsContact O-CB 3.31Å; Q775-L779 WeakPolarHBondContact O-CB 3.32Å; Q775-L779 PolarHBondContact O-N 3Å |
| 776 | K | 87.5 | Confident | 82 | Confident | 45 Ų | 45 | 28 Ų | 28 | 20% | 0.196 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 174.9 | -68.9 | 179 | -172 | -161.8 | 0 | 111.1 | A718 I720 K767 G768 L771 S772 G773 L779 S780 | A718-K776 HydrophobicContact CB-CB 3.74Å; A718-K776 WeakPolarHBondContact CB-O 3.41Å; I720-K776 HydrophobicContact CG1-CB 4.35Å; I720-K776 HydrophobicContact CG1-CG 4.38Å; K767-K776 PolarHBondContact O-NZ 2.87Å; G768-K776 WeakPolarHBondContact O-CE 3.05Å; G768-K776 PolarHBondContact O-NZ 3.37Å; L771-K776 HydrophobicContact CB-CG 3.72Å; L771-K776 HydrophobicContact CD1-CG 4.43Å; L771-K776 VanDerWaalsContact O-CE 3.25Å; L771-K776 WeakPolarHBondContact O-CE 3.18Å; S772-K776 VanDerWaalsContact O-CG 3.3Å; S772-K776 WeakPolarHBondContact O-CG 3.22Å; S772-K776 PolarHBondContact O-N 2.94Å; G773-K776 PolarHBondContact O-N 3.37Å; K776-L779 PolarHBondContact O-N 3.43Å; K776-S780 WeakPolarHBondContact O-CB 3.43Å; K776-S780 PolarHBondContact O-N 3.3Å |
| 777 | Q | 88.6 | Confident | 83.5 | Confident | 8 Ų | 8 | 24 Ų | 24 | 4% | 0.037 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.2 | -44.7 | 179.2 | -153.6 | 63.6 | 13.6 | 0 | 0 | 111.3 | P715 A718 G773 G774 Q775 L779 S780 L781 P797 | P715-Q777 PolarHBondContact O-NE2 2.96Å; A718-Q777 VanDerWaalsContact CB-OE1 3.28Å; G773-Q777 PolarHBondContact O-N 3.39Å; G774-Q777 PolarHBondContact O-N 3.34Å; Q775-Q777 VanDerWaalsContact C-N 3.31Å; Q775-Q777 PolarHBondContact O-N 2.78Å; Q777-L779 PolarHBondContact O-N 3.35Å; Q777-S780 PolarHBondContact O-N 2.82Å; Q777-L781 WeakPolarHBondContact O-CB 3.3Å; Q777-L781 PolarHBondContact O-N 3.35Å; Q777-P797 WeakPolarHBondContact CG-O 3.42Å |
| 778 | R | 91.8 | Very high | 84.8 | Confident | 26 Ų | 26 | 22 Ų | 22 | 10% | 0.098 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 172.9 | -78.5 | -173.9 | -76.3 | 171.6 | 1.4 | 112.7 | C747 N748 L749 D752 G774 Q775 L781 A782 V801 I809 | C747-R778 VanDerWaalsContact O-CD 3.24Å; C747-R778 WeakPolarHBondContact O-CD 3.29Å; N748-R778 PolarHBondContact O-NH1 3.46Å; L749-R778 HydrophobicContact CD1-CB 4.13Å; D752-R778 IonicContact OD1-CZ 2.63Å; D752-R778 IonicContact OD1-NH1 3.54Å; D752-R778 IonicContact OD1-NH2 3.46Å; D752-R778 PolarHBondContact OD1-NH2 3.49Å; D752-R778 IonicContact OD2-CZ 2.7Å; D752-R778 IonicContact OD2-NE 3.82Å; D752-R778 PolarHBondContact OD2-NE 3.13Å; D752-R778 IonicContact OD2-NH1 2.79Å; D752-R778 PolarHBondContact OD2-NH1 2.79Å; D752-R778 IonicContact OD2-NH2 2.96Å; D752-R778 PolarHBondContact OD2-NH2 3.16Å; G774-R778 WeakPolarHBondContact O-CB 3.45Å; G774-R778 WeakPolarHBondContact O-CG 3.46Å; G774-R778 PolarHBondContact O-N 2.86Å; Q775-R778 PolarHBondContact O-N 3.45Å; R778-L781 PolarHBondContact O-N 3.28Å; R778-A782 WeakPolarHBondContact O-CB 3.43Å; R778-A782 PolarHBondContact O-N 3.14Å; R778-V801 HydrophobicContact CG-CG2 4.43Å; R778-I809 HydrophobicContact CG-CD1 3.7Å |
| 779 | L | 92.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 176.6 | 179.7 | 61.5 | 0 | 0 | 0 | 112.3 | I720 V725 N728 V729 L749 I764 L771 Q775 K776 Q777 L781 A782 R783 | I720-L779 HydrophobicContact CD1-CB 4.21Å; I720-L779 HydrophobicContact CD1-CD2 3.81Å; I720-L779 HydrophobicContact CD1-CG 3.96Å; I720-L779 HydrophobicContact CG1-CD2 4.47Å; I720-L779 HydrophobicContact CG2-CD2 3.97Å; V725-L779 HydrophobicContact CG1-CD1 3.98Å; N728-L779 HydrophobicContact CB-CD1 4.17Å; N728-L779 HydrophobicContact CB-CD2 4.1Å; N728-L779 HydrophobicContact CB-CG 4.33Å; V729-L779 HydrophobicContact CG2-CD1 3.51Å; L749-L779 HydrophobicContact CD2-CD1 4.07Å; I764-L779 HydrophobicContact CD1-CD2 3.34Å; L771-L779 HydrophobicContact CD1-CD2 3.6Å; Q775-L779 VanDerWaalsContact O-CB 3.31Å; Q775-L779 WeakPolarHBondContact O-CB 3.32Å; Q775-L779 PolarHBondContact O-N 3Å; K776-L779 PolarHBondContact O-N 3.43Å; Q777-L779 PolarHBondContact O-N 3.35Å; L779-L781 VanDerWaalsContact C-N 3.31Å; L779-L781 PolarHBondContact O-N 3.44Å; L779-A782 PolarHBondContact O-N 3.35Å; L779-R783 PolarHBondContact O-N 3.32Å |
| 780 | S | 93 | Very high | 87.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 175.7 | -171.8 | 0 | 0 | 0 | 0 | 111.6 | K776 Q777 R783 A784 | K776-S780 WeakPolarHBondContact O-CB 3.43Å; K776-S780 PolarHBondContact O-N 3.3Å; Q777-S780 PolarHBondContact O-N 2.82Å; S780-R783 PolarHBondContact OG-NH2 3.28Å; S780-A784 PolarHBondContact O-N 2.88Å; S780-A784 VanDerWaalsContact O-N 3.16Å |
| 781 | L | 94.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.9 | -46.2 | 174.2 | -178.1 | 63.5 | 0 | 0 | 0 | 111.6 | V714 Q777 R778 L779 R783 A784 V785 L794 I809 | V714-L781 HydrophobicContact CG2-CD1 4.03Å; Q777-L781 WeakPolarHBondContact O-CB 3.3Å; Q777-L781 PolarHBondContact O-N 3.35Å; R778-L781 PolarHBondContact O-N 3.28Å; L779-L781 VanDerWaalsContact C-N 3.31Å; L779-L781 PolarHBondContact O-N 3.44Å; L781-R783 VanDerWaalsContact C-N 3.29Å; L781-R783 PolarHBondContact O-N 3.06Å; L781-A784 WeakPolarHBondContact O-CB 3.34Å; L781-A784 PolarHBondContact O-N 2.95Å; L781-V785 HydrophobicContact CD1-CG2 4.28Å; L781-V785 HydrophobicContact CG-CG2 4.35Å; L781-V785 WeakPolarHBondContact O-CG2 3.31Å; L781-V785 PolarHBondContact O-N 2.85Å; L781-L794 HydrophobicContact CD1-CD2 3.89Å; L781-I809 HydrophobicContact CD2-CG2 3.33Å |
| 782 | A | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.2 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V729 V743 C747 R778 L779 A784 V785 Y786 | V729-A782 HydrophobicContact CG1-CB 4.49Å; V729-A782 HydrophobicContact CG2-CB 4.14Å; V743-A782 HydrophobicContact CG1-CB 4.04Å; V743-A782 WeakPolarHBondContact CG1-O 3.48Å; C747-A782 HydrophobicContact CB-CB 4.29Å; R778-A782 WeakPolarHBondContact O-CB 3.43Å; R778-A782 PolarHBondContact O-N 3.14Å; L779-A782 PolarHBondContact O-N 3.35Å; A782-A784 PolarHBondContact O-N 2.88Å; A782-V785 PolarHBondContact O-N 3.44Å; A782-Y786 VanDerWaalsContact O-CB 3.29Å; A782-Y786 WeakPolarHBondContact O-CB 3.34Å; A782-Y786 PolarHBondContact O-N 3.43Å |
| 783 | R | 94.4 | Very high | 91 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 172.4 | 174.2 | -177.6 | 55.9 | -162.4 | -11.3 | 112 | W719 N728 F731 L779 S780 L781 Y786 Q787 | W719-R783 PolarHBondContact O-NH1 3.34Å; W719-R783 PolarHBondContact O-NH2 2.65Å; N728-R783 WeakPolarHBondContact O-CD 3.49Å; N728-R783 WeakPolarHBondContact O-CG 3.34Å; F731-R783 HydrophobicContact CB-CG 4.04Å; F731-R783 HydrophobicContact CG-CG 4.37Å; L779-R783 PolarHBondContact O-N 3.32Å; S780-R783 PolarHBondContact OG-NH2 3.28Å; L781-R783 VanDerWaalsContact C-N 3.29Å; L781-R783 PolarHBondContact O-N 3.06Å; R783-Y786 PolarHBondContact O-N 3.49Å; R783-Q787 WeakPolarHBondContact O-CG 3.27Å; R783-Q787 PolarHBondContact O-N 3.39Å |
| 784 | A | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A712 V714 S780 L781 A782 Y786 Q787 Y792 Y1155 | A712-A784 HydrophobicContact CB-CB 4.16Å; V714-A784 HydrophobicContact CG2-CB 3.42Å; V714-A784 VanDerWaalsContact CG2-CB 3.42Å; S780-A784 PolarHBondContact O-N 2.88Å; S780-A784 VanDerWaalsContact O-N 3.16Å; L781-A784 WeakPolarHBondContact O-CB 3.34Å; L781-A784 PolarHBondContact O-N 2.95Å; A782-A784 PolarHBondContact O-N 2.88Å; A784-Y786 VanDerWaalsContact C-N 3.31Å; A784-Y786 PolarHBondContact O-N 2.89Å; A784-Q787 PolarHBondContact O-N 3.35Å; A784-Y792 HydrophobicContact CB-CE1 4.31Å; A784-Y792 VanDerWaalsContact O-CE1 3.23Å; A784-Y792 WeakPolarHBondContact O-CE1 3.36Å; A784-Y792 PolarHBondContact O-OH 3.15Å; A784-Y1155 WeakPolarHBondContact CA-OH 3.24Å; A784-Y1155 WeakPolarHBondContact CB-OH 3.48Å |
| 785 | V | 94.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | V743 L781 A782 Q787 D788 Y792 V813 L819 L820 | V743-V785 HydrophobicContact CG1-CB 4.04Å; V743-V785 HydrophobicContact CG1-CG1 4.07Å; V743-V785 HydrophobicContact CG2-CG1 3.81Å; L781-V785 HydrophobicContact CD1-CG2 4.28Å; L781-V785 HydrophobicContact CG-CG2 4.35Å; L781-V785 WeakPolarHBondContact O-CG2 3.31Å; L781-V785 PolarHBondContact O-N 2.85Å; A782-V785 PolarHBondContact O-N 3.44Å; V785-Q787 VanDerWaalsContact C-N 3.29Å; V785-Q787 PolarHBondContact O-N 2.96Å; V785-D788 PolarHBondContact O-N 3.47Å; V785-Y792 PolarHBondContact O-OH 3.32Å; V785-V813 HydrophobicContact CG2-CG1 3.48Å; V785-V813 VanDerWaalsContact CG2-CG1 3.48Å; V785-L819 HydrophobicContact CG1-CB 4.43Å; V785-L819 HydrophobicContact CG1-CD1 3.97Å; V785-L820 HydrophobicContact CG1-CD2 4.27Å; V785-L820 HydrophobicContact CG2-CD1 4.33Å |
| 786 | Y | 95.2 | Very high | 92.8 | Very high | 8 Ų | 8 | 14.1 Ų | 14.1 | 3% | 0.031 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.2 | -26.1 | -179.5 | -167.9 | -93.9 | 0 | 0 | 0 | 113.9 | V729 L730 P734 E735 Q736 F739 Y740 V743 A782 R783 A784 D788 | V729-Y786 HydrophobicContact CG1-CD2 4.22Å; V729-Y786 HydrophobicContact CG1-CG 4.01Å; L730-Y786 HydrophobicContact CD2-CD1 4.26Å; L730-Y786 HydrophobicContact CD2-CE1 3.42Å; L730-Y786 VanDerWaalsContact CD2-CE1 3.42Å; L730-Y786 HydrophobicContact CD2-CE2 4.14Å; L730-Y786 VanDerWaalsContact CD2-OH 3.27Å; L730-Y786 WeakPolarHBondContact CD2-OH 3.35Å; P734-Y786 PolarHBondContact O-OH 3.23Å; E735-Y786 WeakPolarHBondContact CA-OH 3.47Å; Q736-Y786 PolarHBondContact N-OH 2.83Å; F739-Y786 AromaticContact CD1-CD2 3.7Å; F739-Y786 HydrophobicContact CD1-CD2 3.7Å; F739-Y786 AromaticContact CD1-CE2 3.73Å; F739-Y786 HydrophobicContact CD1-CE2 3.73Å; F739-Y786 HydrophobicContact CD1-CG 4.49Å; F739-Y786 AromaticContact CE1-CD2 4Å; F739-Y786 HydrophobicContact CE1-CD2 4Å; F739-Y786 HydrophobicContact CE1-CE2 4.45Å; F739-Y786 HydrophobicContact CE1-CG 4.43Å; Y740-Y786 HydrophobicContact CD2-CE2 4.37Å; V743-Y786 HydrophobicContact CG2-CD2 4.41Å; A782-Y786 VanDerWaalsContact O-CB 3.29Å; A782-Y786 WeakPolarHBondContact O-CB 3.34Å; A782-Y786 PolarHBondContact O-N 3.43Å; R783-Y786 PolarHBondContact O-N 3.49Å; A784-Y786 VanDerWaalsContact C-N 3.31Å; A784-Y786 PolarHBondContact O-N 2.89Å; Y786-D788 PolarHBondContact O-N 3.24Å |
| 787 | Q | 92.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 12 Ų | 12 | 10% | 0.103 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -8.2 | 176.1 | -61.3 | -46.2 | -58.2 | 0 | 0 | 114.2 | L730 Y732 S733 R783 A784 V785 A789 Y1155 | L730-Q787 PolarHBondContact O-NE2 3.3Å; Y732-Q787 VanDerWaalsContact CZ-OE1 3.31Å; S733-Q787 PolarHBondContact OG-OE1 3.49Å; R783-Q787 WeakPolarHBondContact O-CG 3.27Å; R783-Q787 PolarHBondContact O-N 3.39Å; A784-Q787 PolarHBondContact O-N 3.35Å; V785-Q787 VanDerWaalsContact C-N 3.29Å; V785-Q787 PolarHBondContact O-N 2.96Å; Q787-A789 VanDerWaalsContact C-N 3.33Å; Q787-A789 PolarHBondContact O-N 3.38Å; Q787-Y1155 HydrophobicContact CB-CD1 4.31Å; Q787-Y1155 HydrophobicContact CB-CE1 4.16Å; Q787-Y1155 HydrophobicContact CG-CD1 3.85Å; Q787-Y1155 HydrophobicContact CG-CE1 3.69Å |
| 788 | D | 92.4 | Very high | 92.6 | Very high | 89 Ų | 89 | 12.2 Ų | 12.2 | 48% | 0.476 | 6% | 0.063 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 45.3 | 178.4 | -168 | 31.2 | 0 | 0 | 0 | 115.4 | V785 Y786 Y792 K823 | V785-D788 PolarHBondContact O-N 3.47Å; Y786-D788 PolarHBondContact O-N 3.24Å; D788-Y792 WeakPolarHBondContact CA-OH 3.43Å; D788-Y792 PolarHBondContact N-OH 2.91Å; D788-K823 PolarHBondContact O-NZ 3.36Å; D788-K823 WeakPolarHBondContact OD1-CE 3.46Å; D788-K823 IonicContact OD1-NZ 3.87Å; D788-K823 PolarHBondContact OD1-NZ 3.43Å; D788-K823 IonicContact OD2-NZ 3.97Å |
| 789 | A | 92.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 14.3 Ų | 14.3 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | trans | -68.3 | 168.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | S710 A712 Q787 Y792 K823 | S710-A789 WeakPolarHBondContact OG-CA 3.32Å; A712-A789 HydrophobicContact CB-CB 3.57Å; Q787-A789 VanDerWaalsContact C-N 3.33Å; Q787-A789 PolarHBondContact O-N 3.38Å; A789-Y792 HydrophobicContact CB-CE2 4.22Å; A789-Y792 PolarHBondContact N-OH 3.15Å; A789-Y792 VanDerWaalsContact N-OH 3.15Å; A789-Y792 VanDerWaalsContact O-CE2 3.24Å; A789-Y792 WeakPolarHBondContact O-CE2 3.16Å; A789-K823 VanDerWaalsContact O-CD 3.23Å; A789-K823 WeakPolarHBondContact O-CD 3.49Å; A789-K823 WeakPolarHBondContact O-CE 3.32Å; A789-K823 PolarHBondContact O-NZ 3.47Å | ||
| 790 | D | 92.1 | Very high | 91 | Very high | 72 Ų | 72 | 15.5 Ų | 15.5 | 39% | 0.385 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -82.2 | -31.8 | 176.7 | -59.2 | -56 | 0 | 0 | 0 | 112.6 | G709 S710 T824 | G709-D790 WeakPolarHBondContact CA-OD2 3.42Å; S710-D790 PolarHBondContact N-OD2 2.95Å; S710-D790 PolarHBondContact O-N 3Å; S710-D790 VanDerWaalsContact O-N 3.09Å; S710-D790 PolarHBondContact OG-N 3.05Å; S710-D790 PolarHBondContact OG-OD2 3.42Å; D790-T824 PolarHBondContact O-N 2.8Å |
| 791 | I | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.9 | -175.5 | -56.9 | 172.6 | 0 | 0 | 0 | 109 | A644 I645 V707 S710 I711 A712 I793 T824 | A644-I791 HydrophobicContact CB-CD1 4.18Å; A644-I791 HydrophobicContact CB-CG1 4.32Å; I645-I791 HydrophobicContact CD1-CD1 4.47Å; I645-I791 HydrophobicContact CD1-CG2 3.9Å; I645-I791 HydrophobicContact CG1-CD1 4.14Å; V707-I791 HydrophobicContact CG1-CD1 3.53Å; S710-I791 PolarHBondContact O-N 3.45Å; I711-I791 CarbonylContact C-O 3.59Å; I711-I791 WeakPolarHBondContact CA-O 3.31Å; I711-I791 HydrophobicContact CG1-CB 4.42Å; A712-I791 PolarHBondContact N-O 3.24Å; I791-I793 HydrophobicContact CG2-CG1 4.36Å; I791-T824 CarbonylContact C-O 3.53Å; I791-T824 WeakPolarHBondContact CA-O 3.13Å |
| 792 | Y | 95.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.3 | 176.5 | -76.3 | -99.1 | 0 | 0 | 0 | 110.2 | A712 A784 V785 D788 A789 L820 K823 T824 I826 | A712-Y792 HydrophobicContact CB-CD1 3.8Å; A712-Y792 HydrophobicContact CB-CE1 3.69Å; A712-Y792 HydrophobicContact CB-CG 4.39Å; A784-Y792 HydrophobicContact CB-CE1 4.31Å; A784-Y792 VanDerWaalsContact O-CE1 3.23Å; A784-Y792 WeakPolarHBondContact O-CE1 3.36Å; A784-Y792 PolarHBondContact O-OH 3.15Å; V785-Y792 PolarHBondContact O-OH 3.32Å; D788-Y792 WeakPolarHBondContact CA-OH 3.43Å; D788-Y792 PolarHBondContact N-OH 2.91Å; A789-Y792 HydrophobicContact CB-CE2 4.22Å; A789-Y792 PolarHBondContact N-OH 3.15Å; A789-Y792 VanDerWaalsContact N-OH 3.15Å; A789-Y792 VanDerWaalsContact O-CE2 3.24Å; A789-Y792 WeakPolarHBondContact O-CE2 3.16Å; Y792-L820 HydrophobicContact CD1-CD1 3.66Å; Y792-L820 HydrophobicContact CD1-CD2 4.29Å; Y792-L820 HydrophobicContact CD2-CD1 4.11Å; Y792-L820 HydrophobicContact CD2-CD2 4.03Å; Y792-L820 HydrophobicContact CE1-CD1 3.92Å; Y792-L820 HydrophobicContact CE1-CD2 3.78Å; Y792-L820 HydrophobicContact CE2-CD1 4.36Å; Y792-L820 HydrophobicContact CE2-CD2 3.49Å; Y792-L820 VanDerWaalsContact CE2-CD2 3.49Å; Y792-L820 HydrophobicContact CE2-CG 4.48Å; Y792-L820 HydrophobicContact CG-CD1 3.76Å; Y792-L820 HydrophobicContact CG-CD2 4.4Å; Y792-K823 HydrophobicContact CD2-CB 3.99Å; Y792-K823 HydrophobicContact CE2-CB 4.06Å; Y792-K823 HydrophobicContact CE2-CG 4.08Å; Y792-T824 PolarHBondContact N-O 3.4Å; Y792-I826 PolarHBondContact O-N 3.45Å |
| 793 | I | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 112 | 173.8 | -57.3 | 175.5 | 0 | 0 | 0 | 107.5 | C691 I694 L695 I711 A712 Y713 V714 I791 | C691-I793 HydrophobicContact CB-CG2 3.74Å; C691-I793 VanDerWaalsContact SG-CG2 3.52Å; I694-I793 HydrophobicContact CB-CD1 3.95Å; I694-I793 HydrophobicContact CD1-CD1 4.36Å; I694-I793 HydrophobicContact CG2-CD1 3.59Å; L695-I793 HydrophobicContact CD2-CD1 3.96Å; L695-I793 HydrophobicContact CG-CD1 4.23Å; I711-I793 HydrophobicContact CG2-CD1 3.75Å; I711-I793 HydrophobicContact CG2-CG1 4.11Å; A712-I793 PolarHBondContact O-N 3.37Å; Y713-I793 HydrophobicContact CD2-CB 4.01Å; Y713-I793 HydrophobicContact CD2-CG2 3.86Å; Y713-I793 HydrophobicContact CE2-CG2 4.14Å; V714-I793 PolarHBondContact N-O 3.48Å; I791-I793 HydrophobicContact CG2-CG1 4.36Å |
| 794 | L | 94.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 102.4 | -174.3 | -51.6 | 175.4 | 0 | 0 | 0 | 108.8 | V714 L781 D796 P797 I814 I826 F827 V828 | V714-L794 HydrophobicContact CB-CD2 3.96Å; V714-L794 HydrophobicContact CG2-CD2 3.6Å; L781-L794 HydrophobicContact CD1-CD2 3.89Å; L794-D796 PolarHBondContact O-N 3.31Å; L794-P797 HydrophobicContact CB-CG 3.92Å; L794-I814 HydrophobicContact CD1-CD1 3.8Å; L794-I814 HydrophobicContact CD1-CG1 3.84Å; L794-I814 HydrophobicContact CD1-CG2 4.23Å; L794-I826 PolarHBondContact N-O 3.03Å; L794-F827 HydrophobicContact CB-CD2 4.28Å; L794-F827 HydrophobicContact CD1-CD2 4.33Å; L794-V828 PolarHBondContact O-N 3.18Å |
| 795 | D | 91.4 | Very high | 87.1 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 90 | -176.5 | -164 | 5 | 0 | 0 | 0 | 109.8 | S688 Y713 V714 Q716 | S688-D795 VanDerWaalsContact CB-OD2 3.32Å; S688-D795 WeakPolarHBondContact CB-OD2 3.45Å; S688-D795 PolarHBondContact OG-OD1 3.39Å; S688-D795 PolarHBondContact OG-OD2 3.48Å; Y713-D795 HydrophobicContact CE2-CB 4.12Å; Y713-D795 PolarHBondContact OH-OD2 3.23Å; V714-D795 WeakPolarHBondContact O-CB 3.26Å; V714-D795 PolarHBondContact O-N 3.49Å; Q716-D795 WeakPolarHBondContact CA-O 3.4Å; Q716-D795 PolarHBondContact N-O 2.9Å |
| 796 | D | 88.1 | Confident | 86.6 | Confident | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 52.7 | 52 | -179.8 | -156 | 12.6 | 0 | 0 | 0 | 115.3 | Q716 L794 L798 S799 V828 N830 | Q716-D796 HydrophobicContact CG-CB 4.42Å; L794-D796 PolarHBondContact O-N 3.31Å; D796-L798 VanDerWaalsContact C-N 3.26Å; D796-L798 PolarHBondContact O-N 3.37Å; D796-S799 PolarHBondContact O-OG 2.93Å; D796-V828 WeakPolarHBondContact CA-O 3.42Å; D796-V828 PolarHBondContact N-O 2.76Å; D796-N830 PolarHBondContact OD2-ND2 3.01Å |
| 797 | P | 86.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -12.2 | -172.2 | 36 | -42.5 | 0 | 0 | 0 | 114.8 | V714 Q777 L794 I814 F827 | V714-P797 HydrophobicContact CG1-CB 4.25Å; Q777-P797 WeakPolarHBondContact CG-O 3.42Å; L794-P797 HydrophobicContact CB-CG 3.92Å; P797-I814 HydrophobicContact CG-CD1 4.39Å; P797-F827 HydrophobicContact CG-CD2 4.17Å; P797-F827 HydrophobicContact CG-CE2 3.74Å |
| 798 | L | 86.4 | Confident | 86 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -6.4 | -175.2 | -55.3 | -174.2 | 0 | 0 | 0 | 113.2 | D796 A800 V801 I809 F827 Y834 | D796-L798 VanDerWaalsContact C-N 3.26Å; D796-L798 PolarHBondContact O-N 3.37Å; L798-A800 VanDerWaalsContact C-N 3.31Å; L798-A800 PolarHBondContact O-N 3.32Å; L798-V801 PolarHBondContact O-N 3.03Å; L798-V801 VanDerWaalsContact O-N 3.16Å; L798-I809 HydrophobicContact CD2-CB 4.14Å; L798-I809 HydrophobicContact CD2-CD1 4.32Å; L798-I809 HydrophobicContact CD2-CG2 3.8Å; L798-F827 HydrophobicContact CD1-CE2 4.18Å; L798-F827 HydrophobicContact CD1-CZ 3.79Å; L798-F827 HydrophobicContact CG-CE2 4.23Å; L798-F827 HydrophobicContact CG-CZ 4.25Å; L798-Y834 HydrophobicContact CD1-CD2 4.04Å; L798-Y834 HydrophobicContact CD1-CE1 4.31Å; L798-Y834 HydrophobicContact CD1-CE2 3.57Å |
| 799 | S | 76.9 | Confident | 86 | Confident | 71 Ų | 71 | 33.7 Ų | 33.7 | 50% | 0.497 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -36.5 | -176.9 | 53.9 | 0 | 0 | 0 | 0 | 114.9 | D796 | D796-S799 PolarHBondContact O-OG 2.93Š|
| 800 | A | 72.7 | Confident | 85.9 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 22% | 0.215 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 0.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R513 G774 L798 | R513-A800 PolarHBondContact NH1-O 3.18Å; G774-A800 WeakPolarHBondContact CA-O 3.45Å; L798-A800 VanDerWaalsContact C-N 3.31Å; L798-A800 PolarHBondContact O-N 3.32Å |
| 801 | V | 77.8 | Confident | 85.9 | Confident | 17 Ų | 17 | 32.5 Ų | 32.5 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -108.9 | 141 | -171.3 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | R778 L798 V805 I809 | R778-V801 HydrophobicContact CG-CG2 4.43Å; L798-V801 PolarHBondContact O-N 3.03Å; L798-V801 VanDerWaalsContact O-N 3.16Å; V801-V805 HydrophobicContact CG1-CB 3.44Å; V801-V805 VanDerWaalsContact CG1-CB 3.44Å; V801-V805 HydrophobicContact CG1-CG1 3.35Å; V801-I809 HydrophobicContact CG1-CD1 4.1Å |
| 802 | D | 74.1 | Confident | 85.8 | Confident | 94 Ų | 94 | 37 Ų | 37 | 50% | 0.503 | 20% | 0.2 | S | C | . | . | trans | -60 | 149.5 | 177.8 | -57.5 | -50 | 0 | 0 | 0 | 111.3 | R513 H804 V805 G806 | R513-D802 IonicContact CZ-OD1 3.52Å; R513-D802 IonicContact NH2-OD1 2.65Å; R513-D802 PolarHBondContact NH2-OD1 3.01Å; R513-D802 IonicContact NH2-OD2 3.49Å; D802-H804 VanDerWaalsContact C-N 3.32Å; D802-H804 PolarHBondContact O-N 3.49Å; D802-V805 HydrophobicContact CB-CG2 4.48Å; D802-V805 CarbonylContact O-C 3.48Å; D802-V805 PolarHBondContact O-N 3.31Å; D802-G806 PolarHBondContact O-N 2.91Å | ||
| 803 | S | 74.1 | Confident | 85.7 | Confident | 101 Ų | 101 | 37 Ų | 37 | 71% | 0.706 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -52.4 | -45.2 | -174.9 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | G806 R807 | S803-G806 PolarHBondContact O-N 3.45Å; S803-R807 WeakPolarHBondContact O-CB 3.31Å; S803-R807 PolarHBondContact O-N 3.49Å |
| 804 | H | 79.3 | Confident | 85.6 | Confident | 141 Ų | 141 | 37 Ų | 37 | 65% | 0.653 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -62.5 | -44 | 176.6 | 178 | -91.3 | 0 | 0 | 0 | 112.9 | D802 G806 R807 H808 | D802-H804 VanDerWaalsContact C-N 3.32Å; D802-H804 PolarHBondContact O-N 3.49Å; H804-G806 VanDerWaalsContact C-N 3.35Å; H804-R807 PolarHBondContact O-N 3.47Å; H804-H808 PolarHBondContact O-N 3.43Å |
| 805 | V | 83.4 | Confident | 85.3 | Confident | 18 Ų | 18 | 37.1 Ų | 37.1 | 11% | 0.109 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.6 | -35.8 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | N748 V801 D802 H808 I809 | N748-V805 HydrophobicContact CB-CG1 4.32Å; V801-V805 HydrophobicContact CG1-CB 3.44Å; V801-V805 VanDerWaalsContact CG1-CB 3.44Å; V801-V805 HydrophobicContact CG1-CG1 3.35Å; D802-V805 HydrophobicContact CB-CG2 4.48Å; D802-V805 CarbonylContact O-C 3.48Å; D802-V805 PolarHBondContact O-N 3.31Å; V805-H808 PolarHBondContact O-N 3.37Å; V805-I809 HydrophobicContact CG1-CD1 4.03Å; V805-I809 VanDerWaalsContact O-CG1 3.25Å; V805-I809 WeakPolarHBondContact O-CG1 3.17Å; V805-I809 PolarHBondContact O-N 2.92Å |
| 806 | G | 85 | Confident | 85 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D802 S803 H804 I809 F810 | D802-G806 PolarHBondContact O-N 2.91Å; S803-G806 PolarHBondContact O-N 3.45Å; H804-G806 VanDerWaalsContact C-N 3.35Å; G806-I809 PolarHBondContact O-N 3.23Å; G806-F810 WeakPolarHBondContact O-CB 3.39Å; G806-F810 PolarHBondContact O-N 3.12Å |
| 807 | R | 86.4 | Confident | 84.9 | Confident | 85 Ų | 85 | 49 Ų | 49 | 32% | 0.321 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 173.5 | -172 | 70.9 | -149 | -173.8 | 6.4 | 112 | S803 H804 I809 F810 D811 E837 | S803-R807 WeakPolarHBondContact O-CB 3.31Å; S803-R807 PolarHBondContact O-N 3.49Å; H804-R807 PolarHBondContact O-N 3.47Å; R807-I809 PolarHBondContact O-N 3.14Å; R807-F810 WeakPolarHBondContact O-CB 3.17Å; R807-F810 PolarHBondContact O-N 2.78Å; R807-F810 VanDerWaalsContact O-N 3.14Å; R807-D811 IonicContact CZ-OD1 3.89Å; R807-D811 IonicContact CZ-OD2 2.81Å; R807-D811 IonicContact NE-OD1 3.33Å; R807-D811 PolarHBondContact NE-OD1 2.77Å; R807-D811 IonicContact NE-OD2 2.83Å; R807-D811 PolarHBondContact NE-OD2 2.82Å; R807-D811 IonicContact NH2-OD1 2.83Å; R807-D811 PolarHBondContact NH2-OD1 3.22Å; R807-D811 IonicContact NH2-OD2 3.72Å; R807-D811 PolarHBondContact O-N 3.11Å; R807-E837 IonicContact CZ-OE1 3.95Å; R807-E837 IonicContact CZ-OE2 3.29Å; R807-E837 IonicContact NH1-OE1 2.66Å; R807-E837 PolarHBondContact NH1-OE1 2.94Å; R807-E837 IonicContact NH1-OE2 3.67Å; R807-E837 IonicContact NH2-OE1 3.86Å; R807-E837 PolarHBondContact NH2-OE1 3.04Å; R807-E837 IonicContact NH2-OE2 3.76Å; R807-E837 PolarHBondContact NH2-OE2 2.96Å |
| 808 | H | 89.6 | Confident | 84.9 | Confident | 48 Ų | 48 | 49.1 Ų | 49.1 | 22% | 0.222 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 175.7 | -178.8 | -75.8 | 0 | 0 | 0 | 112.3 | S745 A746 H804 V805 F810 D811 H812 | S745-H808 PolarHBondContact O-CE1 3.42Å; A746-H808 PolarHBondContact O-CE1 3.46Å; A746-H808 PolarHBondContact O-ND1 2.92Å; H804-H808 PolarHBondContact O-N 3.43Å; V805-H808 PolarHBondContact O-N 3.37Å; H808-F810 VanDerWaalsContact C-N 3.34Å; H808-D811 PolarHBondContact O-N 2.88Å; H808-H812 AromaticContact CD2-CE1 3.76Å; H808-H812 AromaticContact CD2-ND1 3.68Å; H808-H812 AromaticContact CE1-CG 3.98Å; H808-H812 AromaticContact CE1-ND1 3.7Å; H808-H812 AromaticContact CG-ND1 3.8Å; H808-H812 AromaticContact ND1-ND1 3.8Å; H808-H812 AromaticContact NE2-CE1 3.71Å; H808-H812 AromaticContact NE2-ND1 3.63Å; H808-H812 WeakPolarHBondContact O-CB 3.39Å; H808-H812 PolarHBondContact O-N 3.42Å; H808-H812 PolarHBondContact O-ND1 3.23Å |
| 809 | I | 91.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 176.8 | -69.3 | 166.9 | 0 | 0 | 0 | 110.5 | R778 L781 L798 V801 V805 G806 R807 V813 I814 | R778-I809 HydrophobicContact CG-CD1 3.7Å; L781-I809 HydrophobicContact CD2-CG2 3.33Å; L798-I809 HydrophobicContact CD2-CB 4.14Å; L798-I809 HydrophobicContact CD2-CD1 4.32Å; L798-I809 HydrophobicContact CD2-CG2 3.8Å; V801-I809 HydrophobicContact CG1-CD1 4.1Å; V805-I809 HydrophobicContact CG1-CD1 4.03Å; V805-I809 VanDerWaalsContact O-CG1 3.25Å; V805-I809 WeakPolarHBondContact O-CG1 3.17Å; V805-I809 PolarHBondContact O-N 2.92Å; G806-I809 PolarHBondContact O-N 3.23Å; R807-I809 PolarHBondContact O-N 3.14Å; I809-V813 HydrophobicContact CG2-CB 4.36Å; I809-V813 HydrophobicContact CG2-CG2 4.42Å; I809-V813 WeakPolarHBondContact O-CA 3.29Å; I809-V813 WeakPolarHBondContact O-CB 3.44Å; I809-V813 PolarHBondContact O-N 2.99Å; I809-I814 HydrophobicContact CG2-CD1 4.35Å; I809-I814 PolarHBondContact O-N 2.97Å |
| 810 | F | 90.8 | Very high | 86 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -60 | -53.7 | 177.2 | -168.2 | -93 | 0 | 0 | 0 | 110.1 | G806 R807 H808 H812 I814 G815 F827 Y834 E837 V838 | G806-F810 WeakPolarHBondContact O-CB 3.39Å; G806-F810 PolarHBondContact O-N 3.12Å; R807-F810 WeakPolarHBondContact O-CB 3.17Å; R807-F810 PolarHBondContact O-N 2.78Å; R807-F810 VanDerWaalsContact O-N 3.14Å; H808-F810 VanDerWaalsContact C-N 3.34Å; F810-H812 PolarHBondContact O-N 3.42Å; F810-I814 HydrophobicContact CD2-CB 4.05Å; F810-I814 HydrophobicContact CD2-CG2 4.09Å; F810-I814 HydrophobicContact CE2-CB 4.39Å; F810-I814 HydrophobicContact CE2-CG2 3.97Å; F810-I814 PolarHBondContact O-N 3.11Å; F810-G815 WeakPolarHBondContact O-CA 3.3Å; F810-G815 PolarHBondContact O-N 3.43Å; F810-F827 HydrophobicContact CD2-CE1 4.37Å; F810-F827 HydrophobicContact CD2-CZ 4.48Å; F810-F827 HydrophobicContact CE2-CD1 4.31Å; F810-F827 HydrophobicContact CE2-CE1 4.03Å; F810-Y834 HydrophobicContact CB-CD1 3.96Å; F810-Y834 HydrophobicContact CB-CE1 4.06Å; F810-Y834 HydrophobicContact CD1-CD1 4.14Å; F810-Y834 AromaticContact CD2-CD1 3.87Å; F810-Y834 HydrophobicContact CD2-CD1 3.87Å; F810-Y834 AromaticContact CD2-CG 3.94Å; F810-Y834 HydrophobicContact CD2-CG 3.94Å; F810-Y834 HydrophobicContact CE2-CD1 4.42Å; F810-Y834 HydrophobicContact CE2-CG 4.2Å; F810-Y834 AromaticContact CG-CD1 3.72Å; F810-Y834 HydrophobicContact CG-CD1 3.72Å; F810-Y834 HydrophobicContact CG-CE1 4.33Å; F810-Y834 HydrophobicContact CG-CG 4.27Å; F810-E837 HydrophobicContact CE1-CB 3.77Å; F810-E837 WeakPolarHBondContact CE1-OE2 3.49Å; F810-E837 HydrophobicContact CZ-CB 4.1Å; F810-V838 HydrophobicContact CZ-CG1 4.27Å |
| 811 | D | 90.8 | Very high | 86.8 | Confident | 51 Ų | 51 | 52 Ų | 52 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -64.6 | -40.2 | -175.9 | -67.3 | -30.8 | 0 | 0 | 0 | 113.5 | R807 H808 N817 G818 | R807-D811 IonicContact CZ-OD1 3.89Å; R807-D811 IonicContact CZ-OD2 2.81Å; R807-D811 IonicContact NE-OD1 3.33Å; R807-D811 PolarHBondContact NE-OD1 2.77Å; R807-D811 IonicContact NE-OD2 2.83Å; R807-D811 PolarHBondContact NE-OD2 2.82Å; R807-D811 IonicContact NH2-OD1 2.83Å; R807-D811 PolarHBondContact NH2-OD1 3.22Å; R807-D811 IonicContact NH2-OD2 3.72Å; R807-D811 PolarHBondContact O-N 3.11Å; H808-D811 PolarHBondContact O-N 2.88Å; D811-N817 CarbonylContact O-C 3.54Å; D811-G818 WeakPolarHBondContact O-CA 3.42Å; D811-G818 PolarHBondContact O-N 3.15Å |
| 812 | H | 92.9 | Very high | 87.4 | Confident | 94 Ų | 94 | 59.6 Ų | 59.6 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -93.6 | -16.4 | -174.1 | -64.2 | 87.2 | 0 | 0 | 0 | 114.4 | A746 H808 F810 G818 L819 | A746-H812 HydrophobicContact CB-CB 4.13Å; H808-H812 AromaticContact CD2-CE1 3.76Å; H808-H812 AromaticContact CD2-ND1 3.68Å; H808-H812 AromaticContact CE1-CG 3.98Å; H808-H812 AromaticContact CE1-ND1 3.7Å; H808-H812 AromaticContact CG-ND1 3.8Å; H808-H812 AromaticContact ND1-ND1 3.8Å; H808-H812 AromaticContact NE2-CE1 3.71Å; H808-H812 AromaticContact NE2-ND1 3.63Å; H808-H812 WeakPolarHBondContact O-CB 3.39Å; H808-H812 PolarHBondContact O-N 3.42Å; H808-H812 PolarHBondContact O-ND1 3.23Å; F810-H812 PolarHBondContact O-N 3.42Å; H812-G818 CarbonylContact O-C 3.59Å; H812-G818 WeakPolarHBondContact O-CA 3.48Å; H812-L819 PolarHBondContact O-N 3.04Å |
| 813 | V | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -120.2 | -58.5 | -178.2 | -174.5 | 0 | 0 | 0 | 0 | 112.2 | A746 V785 I809 L820 | A746-V813 HydrophobicContact CB-CG2 3.87Å; V785-V813 HydrophobicContact CG2-CG1 3.48Å; V785-V813 VanDerWaalsContact CG2-CG1 3.48Å; I809-V813 HydrophobicContact CG2-CB 4.36Å; I809-V813 HydrophobicContact CG2-CG2 4.42Å; I809-V813 WeakPolarHBondContact O-CA 3.29Å; I809-V813 WeakPolarHBondContact O-CB 3.44Å; I809-V813 PolarHBondContact O-N 2.99Å; V813-L820 HydrophobicContact CG1-CD1 3.96Å; V813-L820 HydrophobicContact CG1-CG 4.14Å; V813-L820 VanDerWaalsContact O-CB 3.28Å; V813-L820 WeakPolarHBondContact O-CB 3.42Å; V813-L820 WeakPolarHBondContact O-CG 3.43Å; V813-L820 PolarHBondContact O-N 3.21Å |
| 814 | I | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -91.2 | -39.6 | -165 | -56.7 | 174.9 | 0 | 0 | 0 | 112.9 | L794 P797 I809 F810 R825 F827 | L794-I814 HydrophobicContact CD1-CD1 3.8Å; L794-I814 HydrophobicContact CD1-CG1 3.84Å; L794-I814 HydrophobicContact CD1-CG2 4.23Å; P797-I814 HydrophobicContact CG-CD1 4.39Å; I809-I814 HydrophobicContact CG2-CD1 4.35Å; I809-I814 PolarHBondContact O-N 2.97Å; F810-I814 HydrophobicContact CD2-CB 4.05Å; F810-I814 HydrophobicContact CD2-CG2 4.09Å; F810-I814 HydrophobicContact CE2-CB 4.39Å; F810-I814 HydrophobicContact CE2-CG2 3.97Å; F810-I814 PolarHBondContact O-N 3.11Å; I814-R825 WeakPolarHBondContact O-CD 3.43Å; I814-R825 PolarHBondContact O-NE 2.68Å; I814-F827 HydrophobicContact CD1-CD2 4.14Å; I814-F827 HydrophobicContact CD1-CE2 3.94Å; I814-F827 HydrophobicContact CG2-CD2 4.4Å; I814-F827 HydrophobicContact CG2-CG 4.4Å |
| 815 | G | 88 | Confident | 90 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -71.5 | -178.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F810 N817 G818 | F810-G815 WeakPolarHBondContact O-CA 3.3Å; F810-G815 PolarHBondContact O-N 3.43Å; G815-N817 PolarHBondContact O-N 3.5Å; G815-G818 PolarHBondContact O-N 3.43Å |
| 816 | K | 84.4 | Confident | 90.5 | Very high | 119 Ų | 119 | 45.2 Ų | 45.2 | 52% | 0.517 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.5 | -174.2 | -64 | -178.8 | 179.8 | 172.6 | 0 | 113.6 | K821 E837 D839 | K816-K821 WeakPolarHBondContact O-CB 3.39Å; K816-E837 VanDerWaalsContact CE-O 3.29Å; K816-E837 WeakPolarHBondContact CE-O 3.37Å; K816-D839 VanDerWaalsContact CE-OD1 3.28Å; K816-D839 WeakPolarHBondContact CE-OD1 3.47Å; K816-D839 IonicContact NZ-OD1 3.51Å |
| 817 | N | 86.5 | Confident | 90.9 | Very high | 147 Ų | 147 | 45.2 Ų | 45.2 | 79% | 0.786 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.4 | 178.5 | -66.3 | -26.7 | 0 | 0 | 0 | 113.7 | D811 G815 | D811-N817 CarbonylContact O-C 3.54Å; G815-N817 PolarHBondContact O-N 3.5Å |
| 818 | G | 87.8 | Confident | 91.1 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -75.3 | 174.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D811 H812 G815 L820 K821 | D811-G818 WeakPolarHBondContact O-CA 3.42Å; D811-G818 PolarHBondContact O-N 3.15Å; H812-G818 CarbonylContact O-C 3.59Å; H812-G818 WeakPolarHBondContact O-CA 3.48Å; G815-G818 PolarHBondContact O-N 3.43Å; G818-L820 PolarHBondContact O-N 2.92Å; G818-K821 WeakPolarHBondContact O-CB 3.42Å; G818-K821 WeakPolarHBondContact O-CG 3.4Å; G818-K821 PolarHBondContact O-N 3.15Å |
| 819 | L | 92 | Very high | 91 | Very high | 50 Ų | 50 | 39 Ų | 39 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -33 | 175.8 | -68.8 | 179.5 | 0 | 0 | 0 | 112.6 | K742 V743 A746 V785 H812 K821 | K742-L819 HydrophobicContact CD-CD2 3.71Å; K742-L819 VanDerWaalsContact CE-CD2 3.41Å; K742-L819 HydrophobicContact CG-CD2 4.04Å; V743-L819 HydrophobicContact CG2-CD1 4.21Å; A746-L819 HydrophobicContact CB-CD1 3.51Å; A746-L819 HydrophobicContact CB-CG 4.11Å; V785-L819 HydrophobicContact CG1-CB 4.43Å; V785-L819 HydrophobicContact CG1-CD1 3.97Å; H812-L819 PolarHBondContact O-N 3.04Å; L819-K821 PolarHBondContact O-N 3.03Å |
| 820 | L | 92.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 7.2 | -175.2 | -57.7 | -177.8 | 0 | 0 | 0 | 114.1 | V785 Y792 V813 G818 K822 K823 R825 | V785-L820 HydrophobicContact CG1-CD2 4.27Å; V785-L820 HydrophobicContact CG2-CD1 4.33Å; Y792-L820 HydrophobicContact CD1-CD1 3.66Å; Y792-L820 HydrophobicContact CD1-CD2 4.29Å; Y792-L820 HydrophobicContact CD2-CD1 4.11Å; Y792-L820 HydrophobicContact CD2-CD2 4.03Å; Y792-L820 HydrophobicContact CE1-CD1 3.92Å; Y792-L820 HydrophobicContact CE1-CD2 3.78Å; Y792-L820 HydrophobicContact CE2-CD1 4.36Å; Y792-L820 HydrophobicContact CE2-CD2 3.49Å; Y792-L820 VanDerWaalsContact CE2-CD2 3.49Å; Y792-L820 HydrophobicContact CE2-CG 4.48Å; Y792-L820 HydrophobicContact CG-CD1 3.76Å; Y792-L820 HydrophobicContact CG-CD2 4.4Å; V813-L820 HydrophobicContact CG1-CD1 3.96Å; V813-L820 HydrophobicContact CG1-CG 4.14Å; V813-L820 VanDerWaalsContact O-CB 3.28Å; V813-L820 WeakPolarHBondContact O-CB 3.42Å; V813-L820 WeakPolarHBondContact O-CG 3.43Å; V813-L820 PolarHBondContact O-N 3.21Å; G818-L820 PolarHBondContact O-N 2.92Å; L820-K822 PolarHBondContact O-N 2.74Å; L820-K823 WeakPolarHBondContact O-CB 3.5Å; L820-K823 PolarHBondContact O-N 3.16Å; L820-R825 HydrophobicContact CB-CG 4.22Å; L820-R825 PolarHBondContact O-NH1 3.02Å |
| 821 | K | 90.2 | Very high | 89.8 | Confident | 115 Ų | 115 | 44.4 Ų | 44.4 | 50% | 0.5 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -31.9 | -170.5 | 67.6 | -174.2 | 178.8 | -176.3 | 0 | 116.2 | K816 G818 L819 R825 | K816-K821 WeakPolarHBondContact O-CB 3.39Å; G818-K821 WeakPolarHBondContact O-CB 3.42Å; G818-K821 WeakPolarHBondContact O-CG 3.4Å; G818-K821 PolarHBondContact O-N 3.15Å; L819-K821 PolarHBondContact O-N 3.03Å; K821-R825 VanDerWaalsContact CA-NH1 3.34Å; K821-R825 PolarHBondContact O-NH1 3.39Å |
| 822 | K | 90.6 | Very high | 89.1 | Confident | 177 Ų | 177 | 44.3 Ų | 44.3 | 77% | 0.77 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -12.1 | 178.6 | -64.9 | -173.6 | 178.3 | -178.3 | 0 | 114 | L820 | L820-K822 PolarHBondContact O-N 2.74Š|
| 823 | K | 92.9 | Very high | 88.4 | Confident | 39 Ų | 39 | 42.7 Ų | 42.7 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -93.6 | 161.1 | -175.8 | -54.5 | -61.3 | -168.5 | 131.2 | 0 | 110.6 | G674 D788 A789 Y792 L820 R825 | G674-K823 CarbonylContact C-O 3.55Å; G674-K823 WeakPolarHBondContact CA-O 3.27Å; D788-K823 PolarHBondContact O-NZ 3.36Å; D788-K823 WeakPolarHBondContact OD1-CE 3.46Å; D788-K823 IonicContact OD1-NZ 3.87Å; D788-K823 PolarHBondContact OD1-NZ 3.43Å; D788-K823 IonicContact OD2-NZ 3.97Å; A789-K823 VanDerWaalsContact O-CD 3.23Å; A789-K823 WeakPolarHBondContact O-CD 3.49Å; A789-K823 WeakPolarHBondContact O-CE 3.32Å; A789-K823 PolarHBondContact O-NZ 3.47Å; Y792-K823 HydrophobicContact CD2-CB 3.99Å; Y792-K823 HydrophobicContact CE2-CB 4.06Å; Y792-K823 HydrophobicContact CE2-CG 4.08Å; L820-K823 WeakPolarHBondContact O-CB 3.5Å; L820-K823 PolarHBondContact O-N 3.16Å; K823-R825 PolarHBondContact O-NH1 3.43Å |
| 824 | T | 94 | Very high | 87.9 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 132.4 | 176.8 | -49.8 | 0 | 0 | 0 | 0 | 109.6 | A644 V671 R673 G674 D790 I791 Y792 | A644-T824 HydrophobicContact CB-CG2 3.86Å; V671-T824 HydrophobicContact CG1-CG2 3.45Å; V671-T824 VanDerWaalsContact CG1-CG2 3.45Å; R673-T824 WeakPolarHBondContact CA-OG1 3.37Å; G674-T824 PolarHBondContact N-OG1 2.96Å; G674-T824 VanDerWaalsContact N-OG1 3.1Å; D790-T824 PolarHBondContact O-N 2.8Å; I791-T824 CarbonylContact C-O 3.53Å; I791-T824 WeakPolarHBondContact CA-O 3.13Å; Y792-T824 PolarHBondContact N-O 3.4Å |
| 825 | R | 94.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 118.1 | -172.2 | -57.1 | 173.5 | -63.1 | -79 | 4 | 110.2 | A675 C676 I677 I814 L820 K821 K823 | A675-R825 PolarHBondContact O-N 3.42Å; C676-R825 CarbonylContact C-O 3.56Å; C676-R825 WeakPolarHBondContact CA-O 3.43Å; C676-R825 HydrophobicContact CB-CB 4.37Å; I677-R825 PolarHBondContact N-O 3.08Å; I814-R825 WeakPolarHBondContact O-CD 3.43Å; I814-R825 PolarHBondContact O-NE 2.68Å; L820-R825 HydrophobicContact CB-CG 4.22Å; L820-R825 PolarHBondContact O-NH1 3.02Å; K821-R825 VanDerWaalsContact CA-NH1 3.34Å; K821-R825 PolarHBondContact O-NH1 3.39Å; K823-R825 PolarHBondContact O-NH1 3.43Å |
| 826 | I | 94.1 | Very high | 87 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 111.9 | 169.6 | -64.1 | 178.6 | 0 | 0 | 0 | 107.2 | I645 V679 I694 Y792 L794 | I645-I826 HydrophobicContact CD1-CD1 3.36Å; I645-I826 HydrophobicContact CD1-CG1 4.48Å; V679-I826 HydrophobicContact CG2-CG2 4.06Å; I694-I826 HydrophobicContact CD1-CD1 3.51Å; Y792-I826 PolarHBondContact O-N 3.45Å; L794-I826 PolarHBondContact N-O 3.03Å |
| 827 | F | 93 | Very high | 87 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 96.8 | -174.3 | -179.6 | -124.6 | 0 | 0 | 0 | 109.6 | I677 A678 V679 L794 P797 L798 F810 I814 T829 Y834 | I677-F827 PolarHBondContact O-N 3.2Å; A678-F827 CarbonylContact C-O 3.55Å; A678-F827 VanDerWaalsContact CA-O 3.22Å; A678-F827 WeakPolarHBondContact CA-O 3.4Å; V679-F827 PolarHBondContact N-O 2.94Å; L794-F827 HydrophobicContact CB-CD2 4.28Å; L794-F827 HydrophobicContact CD1-CD2 4.33Å; P797-F827 HydrophobicContact CG-CD2 4.17Å; P797-F827 HydrophobicContact CG-CE2 3.74Å; L798-F827 HydrophobicContact CD1-CE2 4.18Å; L798-F827 HydrophobicContact CD1-CZ 3.79Å; L798-F827 HydrophobicContact CG-CE2 4.23Å; L798-F827 HydrophobicContact CG-CZ 4.25Å; F810-F827 HydrophobicContact CD2-CE1 4.37Å; F810-F827 HydrophobicContact CD2-CZ 4.48Å; F810-F827 HydrophobicContact CE2-CD1 4.31Å; F810-F827 HydrophobicContact CE2-CE1 4.03Å; I814-F827 HydrophobicContact CD1-CD2 4.14Å; I814-F827 HydrophobicContact CD1-CE2 3.94Å; I814-F827 HydrophobicContact CG2-CD2 4.4Å; I814-F827 HydrophobicContact CG2-CG 4.4Å; F827-T829 HydrophobicContact CD1-CG2 3.89Å; F827-T829 HydrophobicContact CE1-CG2 3.53Å; F827-T829 HydrophobicContact CZ-CG2 4.12Å; F827-Y834 HydrophobicContact CE1-CD2 4.3Å; F827-Y834 HydrophobicContact CZ-CD2 4.25Å |
| 828 | V | 92 | Very high | 87 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 127.3 | 170.6 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | V679 K687 C691 L794 D796 | V679-V828 HydrophobicContact CB-CG2 4.12Å; K687-V828 HydrophobicContact CB-CG1 3.71Å; K687-V828 HydrophobicContact CD-CG1 4.06Å; K687-V828 HydrophobicContact CG-CG1 4.45Å; C691-V828 WeakPolarHBondContact SG-CG2 2.84Å; L794-V828 PolarHBondContact O-N 3.18Å; D796-V828 WeakPolarHBondContact CA-O 3.42Å; D796-V828 PolarHBondContact N-O 2.76Å |
| 829 | T | 87.1 | Confident | 87.1 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | trans | -147 | 145.2 | -179.2 | 179.5 | 0 | 0 | 0 | 0 | 110.2 | V679 I680 F827 A831 L835 | V679-T829 PolarHBondContact O-N 3.3Å; I680-T829 HydrophobicContact CG2-CG2 4.36Å; F827-T829 HydrophobicContact CD1-CG2 3.89Å; F827-T829 HydrophobicContact CE1-CG2 3.53Å; F827-T829 HydrophobicContact CZ-CG2 4.12Å; T829-A831 WeakPolarHBondContact CG2-O 3.37Å; T829-A831 PolarHBondContact OG1-N 3Å; T829-A831 PolarHBondContact OG1-O 3Å; T829-A831 VanDerWaalsContact OG1-O 3.06Å; T829-L835 HydrophobicContact CG2-CD2 4.25Å | ||
| 830 | N | 81 | Confident | 87.1 | Confident | 76 Ų | 76 | 43.1 Ų | 43.1 | 41% | 0.406 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -93.6 | -17.7 | 164 | -62.5 | -52.2 | 0 | 0 | 0 | 111.8 | K687 D796 | K687-N830 VanDerWaalsContact CE-OD1 3.24Å; K687-N830 WeakPolarHBondContact CE-OD1 3.32Å; K687-N830 PolarHBondContact NZ-OD1 3.24Å; D796-N830 PolarHBondContact OD2-ND2 3.01Å |
| 831 | A | 75.6 | Confident | 87 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | trans | -76.6 | 126.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T829 Y834 | T829-A831 WeakPolarHBondContact CG2-O 3.37Å; T829-A831 PolarHBondContact OG1-N 3Å; T829-A831 PolarHBondContact OG1-O 3Å; T829-A831 VanDerWaalsContact OG1-O 3.06Å; A831-Y834 HydrophobicContact CB-CD2 4.15Å; A831-Y834 HydrophobicContact CB-CE2 3.93Å | ||
| 832 | L | 75.4 | Confident | 87 | Confident | 48 Ų | 48 | 37.6 Ų | 37.6 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -85.1 | -21.5 | -176.4 | -57.8 | 179.3 | 0 | 0 | 0 | 113 | Y834 L835 F868 L869 | L832-Y834 PolarHBondContact O-N 3.42Å; L832-Y834 VanDerWaalsContact O-N 3.1Å; L832-L835 HydrophobicContact CB-CD1 4.17Å; L832-L835 HydrophobicContact CD2-CD1 3.63Å; L832-L835 WeakPolarHBondContact O-CB 3.46Å; L832-L835 VanDerWaalsContact O-CG 3.26Å; L832-L835 WeakPolarHBondContact O-CG 3.28Å; L832-L835 PolarHBondContact O-N 3.07Å; L832-L835 VanDerWaalsContact O-N 3.08Å; L832-F868 HydrophobicContact CD1-CB 3.99Å; L832-L869 HydrophobicContact CB-CD2 4.48Å |
| 833 | T | 78 | Confident | 86.9 | Confident | 61 Ų | 61 | 29.9 Ų | 29.9 | 37% | 0.374 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -35.1 | -175.5 | 54 | 0 | 0 | 0 | 0 | 114.6 | ||
| 834 | Y | 83 | Confident | 86.7 | Confident | 15 Ų | 15 | 28.1 Ų | 28.1 | 6% | 0.059 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -4.8 | -175.3 | -48.6 | -69.8 | 0 | 0 | 0 | 114.4 | L798 F810 F827 A831 L832 K836 E837 | L798-Y834 HydrophobicContact CD1-CD2 4.04Å; L798-Y834 HydrophobicContact CD1-CE1 4.31Å; L798-Y834 HydrophobicContact CD1-CE2 3.57Å; F810-Y834 HydrophobicContact CB-CD1 3.96Å; F810-Y834 HydrophobicContact CB-CE1 4.06Å; F810-Y834 HydrophobicContact CD1-CD1 4.14Å; F810-Y834 AromaticContact CD2-CD1 3.87Å; F810-Y834 HydrophobicContact CD2-CD1 3.87Å; F810-Y834 AromaticContact CD2-CG 3.94Å; F810-Y834 HydrophobicContact CD2-CG 3.94Å; F810-Y834 HydrophobicContact CE2-CD1 4.42Å; F810-Y834 HydrophobicContact CE2-CG 4.2Å; F810-Y834 AromaticContact CG-CD1 3.72Å; F810-Y834 HydrophobicContact CG-CD1 3.72Å; F810-Y834 HydrophobicContact CG-CE1 4.33Å; F810-Y834 HydrophobicContact CG-CG 4.27Å; F827-Y834 HydrophobicContact CE1-CD2 4.3Å; F827-Y834 HydrophobicContact CZ-CD2 4.25Å; A831-Y834 HydrophobicContact CB-CD2 4.15Å; A831-Y834 HydrophobicContact CB-CE2 3.93Å; L832-Y834 PolarHBondContact O-N 3.42Å; L832-Y834 VanDerWaalsContact O-N 3.1Å; Y834-K836 VanDerWaalsContact C-N 3.31Å; Y834-K836 PolarHBondContact O-N 3.37Å; Y834-E837 PolarHBondContact O-N 3.2Å |
| 835 | L | 82.4 | Confident | 86.2 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -69.9 | -24.9 | -170.4 | -65 | 178.8 | 0 | 0 | 0 | 113.5 | A678 I680 T829 L832 E837 V838 I841 P855 | A678-L835 HydrophobicContact CB-CD2 3.58Å; I680-L835 HydrophobicContact CD1-CD1 4.12Å; I680-L835 HydrophobicContact CG2-CD1 4.14Å; I680-L835 HydrophobicContact CG2-CD2 3.73Å; T829-L835 HydrophobicContact CG2-CD2 4.25Å; L832-L835 HydrophobicContact CB-CD1 4.17Å; L832-L835 HydrophobicContact CD2-CD1 3.63Å; L832-L835 WeakPolarHBondContact O-CB 3.46Å; L832-L835 VanDerWaalsContact O-CG 3.26Å; L832-L835 WeakPolarHBondContact O-CG 3.28Å; L832-L835 PolarHBondContact O-N 3.07Å; L832-L835 VanDerWaalsContact O-N 3.08Å; L835-E837 PolarHBondContact O-N 3.27Å; L835-V838 WeakPolarHBondContact O-CG2 3.38Å; L835-I841 HydrophobicContact CB-CD1 3.98Å; L835-I841 HydrophobicContact CD2-CD1 4.37Å; L835-I841 HydrophobicContact CD2-CG1 4.47Å; L835-P855 WeakPolarHBondContact O-CG 3.48Å |
| 836 | K | 80.6 | Confident | 85.5 | Confident | 100 Ų | 100 | 38 Ų | 38 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -64.2 | -21.7 | 177.5 | -66.6 | 179 | 179.1 | 176 | 0 | 112.4 | Y834 D873 | Y834-K836 VanDerWaalsContact C-N 3.31Å; Y834-K836 PolarHBondContact O-N 3.37Å; K836-D873 IonicContact NZ-OD1 3.05Å; K836-D873 PolarHBondContact NZ-OD1 3.02Å; K836-D873 IonicContact NZ-OD2 3.58Å; K836-D873 PolarHBondContact NZ-OD2 2.93Å |
| 837 | E | 82.9 | Confident | 84.8 | Confident | 65 Ų | 65 | 37.9 Ų | 37.9 | 30% | 0.304 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -106.4 | -4.8 | -170.3 | -71.5 | 176.7 | -138.9 | 0 | 0 | 115.6 | R807 F810 K816 Y834 L835 | R807-E837 IonicContact CZ-OE1 3.95Å; R807-E837 IonicContact CZ-OE2 3.29Å; R807-E837 IonicContact NH1-OE1 2.66Å; R807-E837 PolarHBondContact NH1-OE1 2.94Å; R807-E837 IonicContact NH1-OE2 3.67Å; R807-E837 IonicContact NH2-OE1 3.86Å; R807-E837 PolarHBondContact NH2-OE1 3.04Å; R807-E837 IonicContact NH2-OE2 3.76Å; R807-E837 PolarHBondContact NH2-OE2 2.96Å; F810-E837 HydrophobicContact CE1-CB 3.77Å; F810-E837 WeakPolarHBondContact CE1-OE2 3.49Å; F810-E837 HydrophobicContact CZ-CB 4.1Å; K816-E837 VanDerWaalsContact CE-O 3.29Å; K816-E837 WeakPolarHBondContact CE-O 3.37Å; Y834-E837 PolarHBondContact O-N 3.2Å; L835-E837 PolarHBondContact O-N 3.27Å |
| 838 | V | 87.6 | Confident | 84.5 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.024 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -83.8 | 159.3 | 177.6 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | A678 F810 L835 I841 P855 | A678-V838 HydrophobicContact CB-CB 4.29Å; A678-V838 HydrophobicContact CB-CG1 4.11Å; A678-V838 HydrophobicContact CB-CG2 3.74Å; F810-V838 HydrophobicContact CZ-CG1 4.27Å; L835-V838 WeakPolarHBondContact O-CG2 3.38Å; V838-I841 HydrophobicContact CG2-CD1 4.47Å; V838-I841 HydrophobicContact CG2-CG1 3.72Å; V838-P855 HydrophobicContact CG2-CG 4.3Å; V838-P855 WeakPolarHBondContact O-CG 3.26Å |
| 839 | D | 89.8 | Confident | 84.4 | Confident | 54 Ų | 54 | 40.7 Ų | 40.7 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -77.7 | -36.4 | -177.1 | -57.9 | -43.4 | 0 | 0 | 0 | 111.7 | A675 C676 K816 | A675-D839 WeakPolarHBondContact CA-OD2 3.44Å; C676-D839 PolarHBondContact N-OD2 2.76Å; C676-D839 WeakPolarHBondContact O-CB 3.31Å; C676-D839 PolarHBondContact O-N 3.39Å; K816-D839 VanDerWaalsContact CE-OD1 3.28Å; K816-D839 WeakPolarHBondContact CE-OD1 3.47Å; K816-D839 IonicContact NZ-OD1 3.51Å |
| 840 | K | 91 | Very high | 84.3 | Confident | 88 Ų | 88 | 45.4 Ų | 45.4 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 152.2 | 176.1 | -65 | -173.6 | 178.9 | -177.8 | 0 | 111.3 | C676 I677 A678 G853 | C676-K840 PolarHBondContact O-N 3.4Å; I677-K840 CarbonylContact C-O 3.58Å; I677-K840 WeakPolarHBondContact CA-O 3.26Å; I677-K840 HydrophobicContact CG1-CB 4.4Å; A678-K840 PolarHBondContact N-O 3.49Å; K840-G853 CarbonylContact C-O 3.48Å; K840-G853 WeakPolarHBondContact CA-O 3.37Å |
| 841 | I | 90.4 | Very high | 84.6 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.3 | 174.6 | -54.8 | 172 | 0 | 0 | 0 | 108.6 | A678 I680 L835 V838 I843 I852 G853 P855 L858 | A678-I841 HydrophobicContact CB-CG1 4.38Å; A678-I841 CarbonylContact O-C 3.59Å; A678-I841 WeakPolarHBondContact O-CA 3.34Å; I680-I841 HydrophobicContact CD1-CG2 3.67Å; I680-I841 HydrophobicContact CG1-CG2 3.78Å; L835-I841 HydrophobicContact CB-CD1 3.98Å; L835-I841 HydrophobicContact CD2-CD1 4.37Å; L835-I841 HydrophobicContact CD2-CG1 4.47Å; V838-I841 HydrophobicContact CG2-CD1 4.47Å; V838-I841 HydrophobicContact CG2-CG1 3.72Å; I841-I843 HydrophobicContact CG2-CG1 4.28Å; I841-I852 WeakPolarHBondContact O-CA 3.32Å; I841-G853 PolarHBondContact N-O 2.85Å; I841-G853 PolarHBondContact O-N 3.18Å; I841-G853 VanDerWaalsContact O-N 3.15Å; I841-P855 HydrophobicContact CD1-CB 4.08Å; I841-P855 HydrophobicContact CD1-CG 4.01Å; I841-P855 HydrophobicContact CG1-CG 4.3Å; I841-L858 HydrophobicContact CB-CD1 3.63Å; I841-L858 HydrophobicContact CD1-CD1 4.32Å; I841-L858 HydrophobicContact CG1-CD1 4.46Å; I841-L858 HydrophobicContact CG2-CD1 4.02Å |
| 842 | V | 90.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.4 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | L669 I677 A678 V679 I680 I849 I852 | L669-V842 HydrophobicContact CD1-CG2 3.81Å; I677-V842 HydrophobicContact CG2-CG2 3.62Å; A678-V842 PolarHBondContact O-N 2.73Å; V679-V842 WeakPolarHBondContact CA-O 3.15Å; V679-V842 HydrophobicContact CG2-CB 4.35Å; I680-V842 PolarHBondContact N-O 2.63Å; V842-I849 HydrophobicContact CG1-CD1 4.08Å; V842-I849 HydrophobicContact CG1-CG1 4.03Å; V842-I849 HydrophobicContact CG1-CG2 3.99Å; V842-I852 HydrophobicContact CG1-CG1 4.4Å; V842-I852 HydrophobicContact CG2-CG1 4.22Å; V842-I852 HydrophobicContact CG2-CG2 4.22Å |
| 843 | I | 88.9 | Confident | 85.7 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 116.8 | 179.7 | -52.8 | -175.6 | 0 | 0 | 0 | 109.1 | I680 I841 K850 K851 L858 E862 L865 | I680-I843 HydrophobicContact CD1-CD1 4.38Å; I680-I843 HydrophobicContact CD1-CG1 4Å; I680-I843 HydrophobicContact CG1-CB 4.46Å; I680-I843 HydrophobicContact CG1-CG1 3.91Å; I841-I843 HydrophobicContact CG2-CG1 4.28Å; I843-K850 HydrophobicContact CB-CB 4.49Å; I843-K850 HydrophobicContact CG2-CB 4.39Å; I843-K850 HydrophobicContact CG2-CD 4.34Å; I843-K850 PolarHBondContact O-N 2.89Å; I843-K851 PolarHBondContact N-O 3.14Å; I843-L858 HydrophobicContact CD1-CD1 4.27Å; I843-L858 HydrophobicContact CD1-CD2 4.3Å; I843-E862 WeakPolarHBondContact CD1-OE2 3.33Å; I843-L865 HydrophobicContact CD1-CD1 3.71Å |
| 844 | L | 87.7 | Confident | 86 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.2 | 175.9 | -85.6 | 160.6 | 0 | 0 | 0 | 111.1 | I667 V679 I680 G681 S685 K687 L690 G848 I849 | I667-L844 HydrophobicContact CD1-CD2 4.47Å; V679-L844 HydrophobicContact CG1-CD1 3.44Å; V679-L844 VanDerWaalsContact CG1-CD1 3.44Å; V679-L844 HydrophobicContact CG1-CG 4.36Å; I680-L844 PolarHBondContact O-N 3.4Å; G681-L844 WeakPolarHBondContact CA-O 3.37Å; S685-L844 WeakPolarHBondContact CB-O 3.47Å; S685-L844 PolarHBondContact OG-O 2.92Å; K687-L844 HydrophobicContact CB-CD1 4.42Å; K687-L844 HydrophobicContact CG-CD1 4.13Å; L690-L844 HydrophobicContact CB-CD1 4.36Å; L690-L844 HydrophobicContact CD2-CD1 4.01Å; L844-G848 WeakPolarHBondContact CA-O 3.33Å; L844-I849 HydrophobicContact CD2-CG1 4.37Å |
| 845 | E | 83.8 | Confident | 85.9 | Confident | 71 Ų | 71 | 43.9 Ų | 43.9 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.8 | 174.8 | -170.8 | 161.6 | -145.2 | 0 | 0 | 108.9 | G847 G848 K850 | E845-G847 PolarHBondContact O-N 3.48Å; E845-G848 PolarHBondContact N-O 3.24Å; E845-G848 PolarHBondContact O-N 3.38Å; E845-G848 VanDerWaalsContact O-O 3.12Å; E845-K850 HydrophobicContact CB-CB 4.34Å; E845-K850 WeakPolarHBondContact OE2-CD 3.39Å; E845-K850 WeakPolarHBondContact OE2-CE 3.5Å; E845-K850 IonicContact OE2-NZ 2.92Å; E845-K850 PolarHBondContact OE2-NZ 3.36Å |
| 846 | D | 80.7 | Confident | 85.7 | Confident | 145 Ų | 145 | 47.7 Ų | 47.7 | 78% | 0.775 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 36.5 | -178.8 | -60 | -29 | 0 | 0 | 0 | 115.3 | G848 | D846-G848 VanDerWaalsContact C-N 3.28Å; D846-G848 PolarHBondContact O-N 3.42Å |
| 847 | G | 79.5 | Confident | 85.8 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 3.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | I663 L664 R665 S685 E845 | I663-G847 WeakPolarHBondContact O-CA 3.48Å; L664-G847 WeakPolarHBondContact CA-O 3.25Å; R665-G847 PolarHBondContact N-O 2.95Å; S685-G847 WeakPolarHBondContact O-CA 3.45Å; S685-G847 PolarHBondContact O-N 3.33Å; S685-G847 VanDerWaalsContact O-N 3.17Å; E845-G847 PolarHBondContact O-N 3.48Å |
| 848 | G | 87.2 | Confident | 85.5 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 155.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L844 E845 D846 K850 | L844-G848 WeakPolarHBondContact CA-O 3.33Å; E845-G848 PolarHBondContact N-O 3.24Å; E845-G848 PolarHBondContact O-N 3.38Å; E845-G848 VanDerWaalsContact O-O 3.12Å; D846-G848 VanDerWaalsContact C-N 3.28Å; D846-G848 PolarHBondContact O-N 3.42Å; G848-K850 PolarHBondContact O-N 2.85Å |
| 849 | I | 88.4 | Confident | 84.7 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 116 | 168.7 | -64 | 176.6 | 0 | 0 | 0 | 107.9 | I667 L669 V842 L844 I852 | I667-I849 HydrophobicContact CD1-CD1 4.49Å; I667-I849 HydrophobicContact CD1-CG1 4.03Å; I667-I849 HydrophobicContact CG2-CD1 3.76Å; I667-I849 HydrophobicContact CG2-CG1 4.44Å; L669-I849 HydrophobicContact CB-CD1 3.93Å; V842-I849 HydrophobicContact CG1-CD1 4.08Å; V842-I849 HydrophobicContact CG1-CG1 4.03Å; V842-I849 HydrophobicContact CG1-CG2 3.99Å; L844-I849 HydrophobicContact CD2-CG1 4.37Å; I849-I852 HydrophobicContact CD1-CD1 4.37Å; I849-I852 HydrophobicContact CG2-CD1 3.97Å; I849-I852 HydrophobicContact CG2-CG1 3.55Å |
| 850 | K | 86.2 | Confident | 83.9 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -54.2 | 177.2 | -171.3 | -167.1 | -166.4 | 175 | 0 | 111 | I843 E845 G848 E862 | I843-K850 HydrophobicContact CB-CB 4.49Å; I843-K850 HydrophobicContact CG2-CB 4.39Å; I843-K850 HydrophobicContact CG2-CD 4.34Å; I843-K850 PolarHBondContact O-N 2.89Å; E845-K850 HydrophobicContact CB-CB 4.34Å; E845-K850 WeakPolarHBondContact OE2-CD 3.39Å; E845-K850 WeakPolarHBondContact OE2-CE 3.5Å; E845-K850 IonicContact OE2-NZ 2.92Å; E845-K850 PolarHBondContact OE2-NZ 3.36Å; G848-K850 PolarHBondContact O-N 2.85Å; K850-E862 WeakPolarHBondContact CE-OE1 3.35Å; K850-E862 IonicContact NZ-OE1 3.97Å; K850-E862 PolarHBondContact NZ-OE1 3.27Å |
| 851 | K | 86.1 | Confident | 82.7 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 152.8 | -179.2 | -72.4 | -169 | 177.3 | -171.1 | 0 | 111.3 | I843 L858 E861 | I843-K851 PolarHBondContact N-O 3.14Å; K851-L858 HydrophobicContact CB-CD2 3.92Å; K851-L858 HydrophobicContact CD-CD2 4.1Å; K851-E861 IonicContact NZ-OE2 2.75Å; K851-E861 PolarHBondContact NZ-OE2 3.11Å |
| 852 | I | 88.2 | Confident | 81.4 | Confident | 77 Ų | 77 | 56 Ų | 56 | 40% | 0.395 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.7 | 170.6 | -53.4 | 177 | 0 | 0 | 0 | 106.6 | L669 I841 V842 I849 | L669-I852 HydrophobicContact CD1-CD1 3.82Å; I841-I852 WeakPolarHBondContact O-CA 3.32Å; V842-I852 HydrophobicContact CG1-CG1 4.4Å; V842-I852 HydrophobicContact CG2-CG1 4.22Å; V842-I852 HydrophobicContact CG2-CG2 4.22Å; I849-I852 HydrophobicContact CD1-CD1 4.37Å; I849-I852 HydrophobicContact CG2-CD1 3.97Å; I849-I852 HydrophobicContact CG2-CG1 3.55Å |
| 853 | G | 85.8 | Confident | 79.9 | Confident | 5 Ų | 5 | 62 Ų | 62 | 5% | 0.052 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 169.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | K840 I841 | K840-G853 CarbonylContact C-O 3.48Å; K840-G853 WeakPolarHBondContact CA-O 3.37Å; I841-G853 PolarHBondContact N-O 2.85Å; I841-G853 PolarHBondContact O-N 3.18Å; I841-G853 VanDerWaalsContact O-N 3.15Å |
| 854 | T | 85.8 | Confident | 78.3 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 27% | 0.27 | 33% | 0.333 | S | S | . | . | trans | -69.8 | 157 | 164.2 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | S856 E857 L858 | T854-S856 PolarHBondContact O-N 3.25Å; T854-E857 PolarHBondContact N-OE2 3.26Å; T854-E857 PolarHBondContact O-N 2.95Å; T854-E857 WeakPolarHBondContact OG1-CG 3.36Å; T854-E857 PolarHBondContact OG1-N 3.11Å; T854-E857 PolarHBondContact OG1-OE2 2.94Å; T854-L858 PolarHBondContact O-N 3.27Å; T854-L858 VanDerWaalsContact O-N 3.16Å | ||
| 855 | P | 79.8 | Confident | 76.9 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -51.6 | -44.5 | 178.6 | -26.6 | 34.1 | 0 | 0 | 0 | 112.5 | L835 V838 I841 E857 L858 L859 | L835-P855 WeakPolarHBondContact O-CG 3.48Å; V838-P855 HydrophobicContact CG2-CG 4.3Å; V838-P855 WeakPolarHBondContact O-CG 3.26Å; I841-P855 HydrophobicContact CD1-CB 4.08Å; I841-P855 HydrophobicContact CD1-CG 4.01Å; I841-P855 HydrophobicContact CG1-CG 4.3Å; P855-E857 VanDerWaalsContact C-N 3.32Å; P855-E857 PolarHBondContact O-N 3.36Å; P855-L858 PolarHBondContact O-N 3.44Å; P855-L859 WeakPolarHBondContact O-CB 3.41Å; P855-L859 WeakPolarHBondContact O-CD1 3.35Å; P855-L859 PolarHBondContact O-N 3.05Å |
| 856 | S | 79.4 | Confident | 75.6 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 59% | 0.594 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -66.7 | -26.5 | 179.7 | -48 | 0 | 0 | 0 | 0 | 114.8 | T854 | T854-S856 PolarHBondContact O-N 3.25Å |
| 857 | E | 81.5 | Confident | 74.1 | Confident | 107 Ų | 107 | 64.4 Ų | 64.4 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.8 | -44.5 | 175.9 | -75.7 | 163.6 | 168.4 | 0 | 0 | 110.9 | T854 P855 K860 | T854-E857 PolarHBondContact N-OE2 3.26Å; T854-E857 PolarHBondContact O-N 2.95Å; T854-E857 WeakPolarHBondContact OG1-CG 3.36Å; T854-E857 PolarHBondContact OG1-N 3.11Å; T854-E857 PolarHBondContact OG1-OE2 2.94Å; P855-E857 VanDerWaalsContact C-N 3.32Å; P855-E857 PolarHBondContact O-N 3.36Å; E857-K860 PolarHBondContact O-N 3.35Å |
| 858 | L | 77.7 | Confident | 72.8 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.1 | -34 | -177.7 | -67.2 | 169.2 | 0 | 0 | 0 | 112.7 | I841 I843 K851 T854 P855 K860 E861 E862 | I841-L858 HydrophobicContact CB-CD1 3.63Å; I841-L858 HydrophobicContact CD1-CD1 4.32Å; I841-L858 HydrophobicContact CG1-CD1 4.46Å; I841-L858 HydrophobicContact CG2-CD1 4.02Å; I843-L858 HydrophobicContact CD1-CD1 4.27Å; I843-L858 HydrophobicContact CD1-CD2 4.3Å; K851-L858 HydrophobicContact CB-CD2 3.92Å; K851-L858 HydrophobicContact CD-CD2 4.1Å; T854-L858 PolarHBondContact O-N 3.27Å; T854-L858 VanDerWaalsContact O-N 3.16Å; P855-L858 PolarHBondContact O-N 3.44Å; L858-K860 PolarHBondContact O-N 3.36Å; L858-E861 PolarHBondContact O-N 3.1Å; L858-E861 VanDerWaalsContact O-N 3.17Å; L858-E862 PolarHBondContact O-N 2.92Å; L858-E862 VanDerWaalsContact O-N 3.16Å |
| 859 | L | 70.7 | Confident | 71.2 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 28% | 0.277 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.8 | -24 | 172.8 | -97 | 147 | 0 | 0 | 0 | 113.6 | P855 L869 | P855-L859 WeakPolarHBondContact O-CB 3.41Å; P855-L859 WeakPolarHBondContact O-CD1 3.35Å; P855-L859 PolarHBondContact O-N 3.05Å; L859-L869 HydrophobicContact CD1-CD1 4.39Å; L859-L869 HydrophobicContact CD2-CD1 3.76Å; L859-L869 HydrophobicContact CG-CD1 4.07Å |
| 860 | K | 72.4 | Confident | 69.3 | Low | 180 Ų | 180 | 72.7 Ų | 72.7 | 78% | 0.783 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -88.8 | -20.8 | 178.6 | -70.4 | 179.1 | -178.5 | 179.8 | 0 | 113.8 | E857 L858 | E857-K860 PolarHBondContact O-N 3.35Å; L858-K860 PolarHBondContact O-N 3.36Å |
| 861 | E | 66.2 | Low | 67.3 | Low | 127 Ų | 127 | 74.5 Ų | 74.5 | 59% | 0.593 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -113.2 | -17.3 | -167.7 | -69.3 | -169.9 | 174.7 | 0 | 0 | 114.9 | K851 L858 | K851-E861 IonicContact NZ-OE2 2.75Å; K851-E861 PolarHBondContact NZ-OE2 3.11Å; L858-E861 PolarHBondContact O-N 3.1Å; L858-E861 VanDerWaalsContact O-N 3.17Å |
| 862 | E | 63.7 | Low | 65.2 | Low | 17 Ų | 17 | 75.5 Ų | 75.5 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | trans | -121.4 | 101.2 | -180 | -109.2 | -174.8 | 162.7 | 0 | 0 | 111.2 | I843 K850 L858 S864 L865 K866 | I843-E862 WeakPolarHBondContact CD1-OE2 3.33Å; K850-E862 WeakPolarHBondContact CE-OE1 3.35Å; K850-E862 IonicContact NZ-OE1 3.97Å; K850-E862 PolarHBondContact NZ-OE1 3.27Å; L858-E862 PolarHBondContact O-N 2.92Å; L858-E862 VanDerWaalsContact O-N 3.16Å; E862-S864 PolarHBondContact O-N 2.98Å; E862-L865 HydrophobicContact CB-CB 4.04Å; E862-L865 PolarHBondContact O-N 3.43Å; E862-K866 PolarHBondContact O-N 3Å; E862-K866 VanDerWaalsContact O-N 3.08Å | ||
| 863 | D | 58 | Low | 62.9 | Low | 127 Ų | 127 | 74 Ų | 74 | 68% | 0.679 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -56.7 | -32.2 | 172.7 | -72.5 | -26.2 | 0 | 0 | 0 | 111.7 | L865 K866 Q867 | D863-L865 VanDerWaalsContact C-N 3.34Å; D863-L865 PolarHBondContact O-N 3.41Å; D863-K866 WeakPolarHBondContact O-CB 3.45Å; D863-K866 PolarHBondContact O-N 3.07Å; D863-Q867 WeakPolarHBondContact O-CB 3.46Å; D863-Q867 PolarHBondContact O-N 3.02Å |
| 864 | S | 55 | Low | 60.6 | Low | 54 Ų | 54 | 80.9 Ų | 80.9 | 38% | 0.378 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 175.3 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | E862 K866 F868 | E862-S864 PolarHBondContact O-N 2.98Å; S864-K866 VanDerWaalsContact C-N 3.32Å; S864-F868 WeakPolarHBondContact O-CD2 3.19Å; S864-F868 PolarHBondContact O-N 2.95Å |
| 865 | L | 58.4 | Low | 58.4 | Low | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -73.1 | -30.4 | 178.9 | -132.9 | 154 | 0 | 0 | 0 | 111.1 | I680 I843 E862 D863 L869 | I680-L865 HydrophobicContact CD1-CD1 4.18Å; I843-L865 HydrophobicContact CD1-CD1 3.71Å; E862-L865 HydrophobicContact CB-CB 4.04Å; E862-L865 PolarHBondContact O-N 3.43Å; D863-L865 VanDerWaalsContact C-N 3.34Å; D863-L865 PolarHBondContact O-N 3.41Å; L865-L869 HydrophobicContact CD2-CD1 3.55Å; L865-L869 HydrophobicContact CD2-CG 4.19Å; L865-L869 WeakPolarHBondContact O-CB 3.3Å; L865-L869 WeakPolarHBondContact O-CD1 3.48Å; L865-L869 VanDerWaalsContact O-CG 3.26Å; L865-L869 WeakPolarHBondContact O-CG 3.41Å; L865-L869 PolarHBondContact O-N 3.13Å; L865-L869 VanDerWaalsContact O-N 3.14Å |
| 866 | K | 56.6 | Low | 56.4 | Low | 84 Ų | 84 | 88.8 Ų | 88.8 | 37% | 0.365 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 174.3 | -127.8 | -176.5 | 178.4 | -167.4 | 0 | 112.6 | E862 D863 S864 F868 L869 E870 | E862-K866 PolarHBondContact O-N 3Å; E862-K866 VanDerWaalsContact O-N 3.08Å; D863-K866 WeakPolarHBondContact O-CB 3.45Å; D863-K866 PolarHBondContact O-N 3.07Å; S864-K866 VanDerWaalsContact C-N 3.32Å; K866-F868 VanDerWaalsContact C-N 3.34Å; K866-F868 PolarHBondContact O-N 3.25Å; K866-L869 PolarHBondContact O-N 3.11Å; K866-E870 VanDerWaalsContact O-CB 3.31Å; K866-E870 WeakPolarHBondContact O-CB 3.31Å; K866-E870 WeakPolarHBondContact O-CG 3.47Å; K866-E870 PolarHBondContact O-N 3.29Å |
| 867 | Q | 49.8 | Very low | 54.2 | Low | 128 Ų | 128 | 92 Ų | 92 | 60% | 0.598 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 178.5 | -145.4 | 169.5 | 10.8 | 0 | 0 | 111.5 | D863 E871 | D863-Q867 WeakPolarHBondContact O-CB 3.46Å; D863-Q867 PolarHBondContact O-N 3.02Å; Q867-E871 WeakPolarHBondContact O-CG 3.5Å; Q867-E871 PolarHBondContact O-N 3.47Å |
| 868 | F | 51.8 | Low | 51.9 | Low | 125 Ų | 125 | 95.6 Ų | 95.6 | 55% | 0.548 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73 | -22.2 | 175.7 | -73 | -59.1 | 0 | 0 | 0 | 114.3 | L832 S864 K866 | L832-F868 HydrophobicContact CD1-CB 3.99Å; S864-F868 WeakPolarHBondContact O-CD2 3.19Å; S864-F868 PolarHBondContact O-N 2.95Å; K866-F868 VanDerWaalsContact C-N 3.34Å; K866-F868 PolarHBondContact O-N 3.25Å |
| 869 | L | 53.6 | Low | 49.7 | Very low | 12 Ų | 12 | 102.4 Ų | 102.4 | 6% | 0.063 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -92 | -35.2 | 176.5 | -74.1 | 169.6 | 0 | 0 | 0 | 112.1 | L832 L859 L865 K866 E871 E872 D873 | L832-L869 HydrophobicContact CB-CD2 4.48Å; L859-L869 HydrophobicContact CD1-CD1 4.39Å; L859-L869 HydrophobicContact CD2-CD1 3.76Å; L859-L869 HydrophobicContact CG-CD1 4.07Å; L865-L869 HydrophobicContact CD2-CD1 3.55Å; L865-L869 HydrophobicContact CD2-CG 4.19Å; L865-L869 WeakPolarHBondContact O-CB 3.3Å; L865-L869 WeakPolarHBondContact O-CD1 3.48Å; L865-L869 VanDerWaalsContact O-CG 3.26Å; L865-L869 WeakPolarHBondContact O-CG 3.41Å; L865-L869 PolarHBondContact O-N 3.13Å; L865-L869 VanDerWaalsContact O-N 3.14Å; K866-L869 PolarHBondContact O-N 3.11Å; L869-E871 VanDerWaalsContact C-N 3.34Å; L869-E872 PolarHBondContact O-N 3.25Å; L869-D873 WeakPolarHBondContact O-CB 3.49Å; L869-D873 PolarHBondContact O-N 2.89Å |
| 870 | E | 48 | Very low | 48 | Very low | 101 Ų | 101 | 103 Ų | 103 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.3 | -24.3 | 177.4 | -72.6 | 173.9 | -174.8 | 0 | 0 | 112.6 | K866 N874 | K866-E870 VanDerWaalsContact O-CB 3.31Å; K866-E870 WeakPolarHBondContact O-CB 3.31Å; K866-E870 WeakPolarHBondContact O-CG 3.47Å; K866-E870 PolarHBondContact O-N 3.29Å; E870-N874 PolarHBondContact O-N 3.38Å; E870-N874 PolarHBondContact O-ND2 3.43Å |
| 871 | E | 45.9 | Very low | 46.1 | Very low | 138 Ų | 138 | 100.7 Ų | 100.7 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.5 | -24.4 | 171.3 | -79.8 | 178.3 | 177.5 | 0 | 0 | 113.2 | Q867 L869 | Q867-E871 WeakPolarHBondContact O-CG 3.5Å; Q867-E871 PolarHBondContact O-N 3.47Å; L869-E871 VanDerWaalsContact C-N 3.34Å |
| 872 | E | 42 | Very low | 44.6 | Very low | 86 Ų | 86 | 101.3 Ų | 101.3 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -93.4 | -36.7 | 173.4 | -75.3 | -161.2 | 155.2 | 0 | 0 | 112.6 | L869 N874 S875 | L869-E872 PolarHBondContact O-N 3.25Å; E872-N874 VanDerWaalsContact C-N 3.28Å; E872-N874 PolarHBondContact O-N 2.87Å; E872-S875 PolarHBondContact O-N 3.49Å; E872-S875 PolarHBondContact O-OG 2.73Å |
| 873 | D | 39.8 | Very low | 43.3 | Very low | 45 Ų | 45 | 105.2 Ų | 105.2 | 24% | 0.241 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -65.4 | -29.2 | -179.3 | -81.8 | -20.1 | 0 | 0 | 0 | 111.9 | K836 L869 S875 E876 | K836-D873 IonicContact NZ-OD1 3.05Å; K836-D873 PolarHBondContact NZ-OD1 3.02Å; K836-D873 IonicContact NZ-OD2 3.58Å; K836-D873 PolarHBondContact NZ-OD2 2.93Å; L869-D873 WeakPolarHBondContact O-CB 3.49Å; L869-D873 PolarHBondContact O-N 2.89Å; D873-S875 PolarHBondContact O-N 3.32Å; D873-E876 PolarHBondContact O-N 3.09Å |
| 874 | N | 36.1 | Very low | 42.5 | Very low | 151 Ų | 151 | 104.1 Ų | 104.1 | 81% | 0.807 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.1 | -10.2 | 174.2 | -79.3 | -44.2 | 0 | 0 | 0 | 114.2 | E870 E872 | E870-N874 PolarHBondContact O-N 3.38Å; E870-N874 PolarHBondContact O-ND2 3.43Å; E872-N874 VanDerWaalsContact C-N 3.28Å; E872-N874 PolarHBondContact O-N 2.87Å |
| 875 | S | 39.2 | Very low | 41.6 | Very low | 91 Ų | 91 | 106 Ų | 106 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -105.7 | -8.4 | 178.4 | 50.3 | 0 | 0 | 0 | 0 | 114.9 | E872 D873 | E872-S875 PolarHBondContact O-N 3.49Å; E872-S875 PolarHBondContact O-OG 2.73Å; D873-S875 PolarHBondContact O-N 3.32Å |
| 876 | E | 38.3 | Very low | 40.4 | Very low | 134 Ų | 134 | 110 Ų | 110 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -123.2 | -10.1 | -171.8 | -65.9 | -165.4 | 159.1 | 0 | 0 | 115.9 | D873 | D873-E876 PolarHBondContact O-N 3.09Å |
| 877 | E | 33 | Very low | 39.6 | Very low | 151 Ų | 151 | 109.8 Ų | 109.8 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -88.3 | -4.2 | -164.4 | -79 | -164.3 | 155.5 | 0 | 0 | 118.7 | ||
| 878 | E | 32.9 | Very low | 38.9 | Very low | 184 Ų | 184 | 112 Ų | 112 | 86% | 0.86 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -101.6 | -8.8 | -175 | -80.2 | -166.2 | 157.9 | 0 | 0 | 118.3 | ||
| 879 | N | 31.6 | Very low | 38 | Very low | 146 Ų | 146 | 114.6 Ų | 114.6 | 78% | 0.781 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -137.8 | 5.9 | -171.5 | -77.1 | -44.8 | 0 | 0 | 0 | 118.4 | ||
| 880 | A | 34.8 | Very low | 37.2 | Very low | 66 Ų | 66 | 120.6 Ų | 120.6 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -92.6 | -9.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 881 | T | 33.6 | Very low | 36.7 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 81% | 0.81 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -94.2 | -11.9 | -166.4 | 28.5 | 0 | 0 | 0 | 0 | 116.8 | ||
| 882 | D | 34.1 | Very low | 36.2 | Very low | 139 Ų | 139 | 121.3 Ų | 121.3 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -112.3 | -10.9 | 179 | -86 | -22.6 | 0 | 0 | 0 | 115.5 | ||
| 883 | L | 38 | Very low | 35.7 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 52% | 0.518 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -87.2 | -26.7 | -177.8 | -109.1 | 86.7 | 0 | 0 | 0 | 114.5 | V885 N886 V887 | L883-V885 VanDerWaalsContact C-N 3.33Å; L883-V885 PolarHBondContact O-N 2.75Å; L883-N886 PolarHBondContact O-N 3.21Å; L883-V887 WeakPolarHBondContact O-CG2 3.34Å; L883-V887 PolarHBondContact O-N 3.43Å |
| 884 | V | 40.5 | Very low | 35.3 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.6 | -22.6 | -169.1 | -177.9 | 0 | 0 | 0 | 0 | 113 | ||
| 885 | V | 36.7 | Very low | 34.9 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 56% | 0.564 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -90.3 | -22.6 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | L883 | L883-V885 VanDerWaalsContact C-N 3.33Å; L883-V885 PolarHBondContact O-N 2.75Å |
| 886 | N | 32 | Very low | 34.3 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 54% | 0.535 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -94.6 | -29.3 | -177.5 | -75 | -28.5 | 0 | 0 | 0 | 113.6 | L883 L890 | L883-N886 PolarHBondContact O-N 3.21Å; N886-L890 WeakPolarHBondContact O-CD1 3.29Å; N886-L890 PolarHBondContact O-N 2.92Å |
| 887 | V | 39.2 | Very low | 34 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 49% | 0.485 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -74.8 | -32.2 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | L883 R889 L890 | L883-V887 WeakPolarHBondContact O-CG2 3.34Å; L883-V887 PolarHBondContact O-N 3.43Å; V887-R889 VanDerWaalsContact C-N 3.31Å; V887-R889 PolarHBondContact O-N 3.46Å; V887-L890 PolarHBondContact O-N 3.4Å |
| 888 | F | 36.3 | Very low | 33.8 | Very low | 175 Ų | 175 | 125.5 Ų | 125.5 | 77% | 0.768 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -73.8 | -19.8 | 177.4 | -127.6 | -92.1 | 0 | 0 | 0 | 113.8 | S892 | F888-S892 PolarHBondContact O-OG 3.11Å |
| 889 | R | 32.3 | Very low | 33.6 | Very low | 179 Ų | 179 | 124.1 Ų | 124.1 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -91 | -17.3 | 175.8 | -84.3 | -177.9 | 173.4 | 165.9 | 0 | 114.2 | V887 S892 | V887-R889 VanDerWaalsContact C-N 3.31Å; V887-R889 PolarHBondContact O-N 3.46Å; R889-S892 PolarHBondContact O-OG 3.3Å |
| 890 | L | 37.4 | Very low | 33.3 | Very low | 137 Ų | 137 | 126 Ų | 126 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -94.6 | -20.9 | -178.2 | -78.2 | 161.3 | 0 | 0 | 0 | 114.1 | N886 V887 | N886-L890 WeakPolarHBondContact O-CD1 3.29Å; N886-L890 PolarHBondContact O-N 2.92Å; V887-L890 PolarHBondContact O-N 3.4Å |
| 891 | Q | 36.4 | Very low | 33.1 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -90 | -3.8 | 173.8 | -79 | 180 | -17.3 | 0 | 0 | 114.6 | ||
| 892 | S | 36.1 | Very low | 32.9 | Very low | 86 Ų | 86 | 131.6 Ų | 131.6 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -99.7 | 2.6 | -179 | 44.4 | 0 | 0 | 0 | 0 | 114.6 | F888 R889 | F888-S892 PolarHBondContact O-OG 3.11Å; R889-S892 PolarHBondContact O-OG 3.3Å |
| 893 | Q | 31.3 | Very low | 32.7 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -130.9 | 11.1 | -177.8 | -71.3 | -171.8 | -10.7 | 0 | 0 | 116.4 | ||
| 894 | A | 31.1 | Very low | 32.3 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 65% | 0.645 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -144.3 | 79.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 895 | S | 27.7 | Very low | 31.9 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | -171.1 | 92.8 | 84.5 | 31.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 896 | V | 27.5 | Very low | 31.6 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 90% | 0.903 | 74% | 0.741 | S | S | * | * | trans | -99.6 | 91.2 | 157.1 | 174.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 897 | V | 31.9 | Very low | 31.5 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -136.7 | 98.5 | 170.2 | 179.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 898 | S | 27.4 | Very low | 31.1 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | trans | 56.3 | 103.9 | 136.9 | 177 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 899 | V | 29.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | -130.8 | 81.2 | 127 | -173 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 900 | K | 26.9 | Very low | 31 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -121.1 | 139.7 | 161 | -91.6 | -177.1 | 177.2 | 176.4 | 0 | 107.8 | ||||
| 901 | S | 29.5 | Very low | 30.7 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 81.9 | 100.6 | 167.4 | 73.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 902 | F | 30.1 | Very low | 30.3 | Very low | 213 Ų | 213 | 137.5 Ų | 137.5 | 93% | 0.934 | 78% | 0.778 | S | S | * | * | trans | -131.3 | 70.6 | 134.8 | -136.9 | -91.5 | 0 | 0 | 0 | 108.8 | ||||
| 903 | T | 28.8 | Very low | 30 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -92.5 | 122.5 | 161.5 | 44.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 904 | G | 30.6 | Very low | 29.9 | Very low | 66 Ų | 66 | 135.3 Ų | 135.3 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | 159.1 | 83.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 905 | S | 31 | Very low | 29.8 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | 78.8 | 125.3 | 135.9 | -159.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 906 | S | 30.3 | Very low | 29.9 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | 67.5 | 125.1 | 147.1 | -81.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 907 | R | 31.2 | Very low | 30.1 | Very low | 219 Ų | 219 | 148 Ų | 148 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | cis | -169.3 | 145.4 | 31.8 | -109.3 | 160.9 | -179.3 | 174.2 | -0.8 | 108.5 | ||||
| 908 | R | 30.4 | Very low | 30 | Very low | 232 Ų | 232 | 144 Ų | 144 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | 26.9 | 135.1 | 136.5 | -73.8 | 174.1 | 175.7 | 164.9 | -1.9 | 117.5 | ||||
| 909 | S | 32.1 | Very low | 30 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | cis | 178 | 152 | 22.5 | 46.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 910 | S | 33.8 | Very low | 30.3 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 64.7 | 140.1 | 150 | 69.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 911 | R | 30.7 | Very low | 30.6 | Very low | 229 Ų | 229 | 142.7 Ų | 142.7 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | cis | -170.6 | 132 | 3.2 | -127.9 | 171.6 | 173.1 | 160.5 | -4.5 | 105.4 | ||||
| 912 | S | 28.8 | Very low | 30.6 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 49.8 | 102.3 | 145.3 | 52.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 913 | A | 29.2 | Very low | 30.9 | Very low | 103 Ų | 103 | 137 Ų | 137 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | 169.2 | 84.1 | 126.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 914 | S | 29.4 | Very low | 31.3 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | -162.8 | 103.1 | 173 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 915 | E | 28.5 | Very low | 31.7 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -142.8 | 79.5 | 155.2 | -82.4 | -171.3 | 164.6 | 0 | 0 | 107.8 | ||||
| 916 | Q | 30.5 | Very low | 32.3 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -166.7 | 10.3 | 164.1 | -117.9 | 167 | -5.6 | 0 | 0 | 118.9 | ||
| 917 | Y | 31.4 | Very low | 33 | Very low | 225 Ų | 225 | 140.1 Ų | 140.1 | 88% | 0.882 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -120.2 | 25.9 | -173.8 | -100.6 | -82.9 | 0 | 0 | 0 | 116.3 | ||
| 918 | G | 29.5 | Very low | 33.6 | Very low | 50 Ų | 50 | 133.8 Ų | 133.8 | 52% | 0.515 | 72% | 0.72 | S | S | . | * | S | Bend | trans | -104.5 | -2.9 | -177 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 919 | N | 29.3 | Very low | 34.3 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -99.2 | -10.4 | -168.4 | -78.5 | -9.4 | 0 | 0 | 0 | 115.8 | A923 | N919-A923 WeakPolarHBondContact O-CB 3.47Å; N919-A923 PolarHBondContact O-N 3.46Å |
| 920 | E | 34 | Very low | 35.2 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -80.3 | -29.8 | -174 | -70.2 | -172.5 | 159.6 | 0 | 0 | 114.1 | A924 | E920-A924 PolarHBondContact O-N 3Å |
| 921 | T | 34.5 | Very low | 36.1 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 67% | 0.669 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -78.9 | -33.1 | 179.2 | 39.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 922 | M | 29.3 | Very low | 37.1 | Very low | 139 Ų | 139 | 116.6 Ų | 116.6 | 69% | 0.685 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.9 | -32.8 | 174 | -65.7 | -164.6 | 81.9 | 0 | 0 | 112.4 | A924 Q925 D926 | M922-A924 VanDerWaalsContact C-N 3.32Å; M922-A924 PolarHBondContact O-N 3.3Å; M922-Q925 PolarHBondContact O-N 3.15Å; M922-D926 PolarHBondContact O-N 3.46Å |
| 923 | A | 35.2 | Very low | 38.2 | Very low | 57 Ų | 57 | 115.9 Ų | 115.9 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.8 | -26 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N919 | N919-A923 WeakPolarHBondContact O-CB 3.47Å; N919-A923 PolarHBondContact O-N 3.46Å |
| 924 | A | 38.4 | Very low | 39 | Very low | 63 Ų | 63 | 117 Ų | 117 | 52% | 0.521 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.6 | -37.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | E920 M922 K927 | E920-A924 PolarHBondContact O-N 3Å; M922-A924 VanDerWaalsContact C-N 3.32Å; M922-A924 PolarHBondContact O-N 3.3Å; A924-K927 PolarHBondContact O-N 3.46Å |
| 925 | Q | 38 | Very low | 39.9 | Very low | 142 Ų | 142 | 115 Ų | 115 | 66% | 0.664 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.5 | -30.6 | 175.7 | -78.9 | -179.3 | -25.5 | 0 | 0 | 113 | M922 K927 S928 | M922-Q925 PolarHBondContact O-N 3.15Å; Q925-K927 VanDerWaalsContact C-N 3.29Å; Q925-K927 PolarHBondContact O-N 2.93Å; Q925-S928 PolarHBondContact O-OG 3.16Å |
| 926 | D | 43 | Very low | 40.5 | Very low | 97 Ų | 97 | 111.2 Ų | 111.2 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.7 | -20.9 | 178 | -128 | -3.3 | 0 | 0 | 0 | 112.8 | K758 M922 | K758-D926 IonicContact NZ-OD1 3.8Å; K758-D926 PolarHBondContact NZ-OD1 3.3Å; M922-D926 PolarHBondContact O-N 3.46Å |
| 927 | K | 45.3 | Very low | 41 | Very low | 170 Ų | 170 | 105.3 Ų | 105.3 | 74% | 0.739 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -78.3 | -32 | 174.7 | -77.8 | -177.3 | 179.2 | 179.2 | 0 | 113.6 | A924 Q925 A929 | A924-K927 PolarHBondContact O-N 3.46Å; Q925-K927 VanDerWaalsContact C-N 3.29Å; Q925-K927 PolarHBondContact O-N 2.93Å; K927-A929 VanDerWaalsContact C-N 3.28Å; K927-A929 PolarHBondContact O-N 3.07Å |
| 928 | S | 44.7 | Very low | 41.7 | Very low | 86 Ų | 86 | 102.3 Ų | 102.3 | 60% | 0.601 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72.4 | -22.8 | 179.6 | 59.5 | 0 | 0 | 0 | 0 | 113 | Q925 | Q925-S928 PolarHBondContact O-OG 3.16Å |
| 929 | A | 45.4 | Very low | 42.6 | Very low | 17 Ų | 17 | 105 Ų | 105 | 14% | 0.14 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -19.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K758 K927 | K758-A929 HydrophobicContact CD-CB 3.46Å; K758-A929 VanDerWaalsContact CD-CB 3.46Å; K758-A929 HydrophobicContact CG-CB 3.6Å; K927-A929 VanDerWaalsContact C-N 3.28Å; K927-A929 PolarHBondContact O-N 3.07Å |
| 930 | R | 50.4 | Low | 43.9 | Very low | 134 Ų | 134 | 100.2 Ų | 100.2 | 51% | 0.506 | 54% | 0.538 | S | S | . | . | trans | -94.6 | 99.4 | 177 | -68.5 | 179.7 | 177.3 | -173.8 | -11.5 | 108.4 | T932 E934 | R930-T932 PolarHBondContact O-N 3.15Å; R930-T932 VanDerWaalsContact O-N 3.15Å; R930-E934 IonicContact CZ-OE1 3.07Å; R930-E934 IonicContact CZ-OE2 3.92Å; R930-E934 IonicContact NH1-OE1 3.64Å; R930-E934 PolarHBondContact NH1-OE1 3.18Å; R930-E934 VanDerWaalsContact NH1-OE1 3.11Å; R930-E934 IonicContact NH1-OE2 3.75Å; R930-E934 PolarHBondContact NH1-OE2 3.26Å; R930-E934 IonicContact NH2-OE1 3.94Å; R930-E934 PolarHBondContact NH2-OE1 2.89Å; R930-E934 IonicContact NH2-OE2 3.01Å | ||
| 931 | L | 52.3 | Low | 45.3 | Very low | 89 Ų | 89 | 99.7 Ų | 99.7 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -56.5 | -27.8 | 175.4 | -75.5 | 162 | 0 | 0 | 0 | 112.2 | N770 | N770-L931 HydrophobicContact CB-CD1 4.48Å; N770-L931 WeakPolarHBondContact ND2-CD1 3.5Å |
| 932 | T | 51.5 | Low | 47 | Very low | 63 Ų | 63 | 95.4 Ų | 95.4 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -109.5 | 121.2 | 175.4 | 39 | 0 | 0 | 0 | 0 | 110.1 | R930 E934 P1055 | R930-T932 PolarHBondContact O-N 3.15Å; R930-T932 VanDerWaalsContact O-N 3.15Å; T932-E934 PolarHBondContact O-N 2.87Å; T932-P1055 HydrophobicContact CG2-CG 3.69Å |
| 933 | E | 52.3 | Low | 49.4 | Very low | 94 Ų | 94 | 90.9 Ų | 90.9 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | trans | -61.5 | 129.2 | 170.7 | -71.2 | -177 | 175 | 0 | 0 | 109.1 | E935 R1058 R1291 | E933-E935 PolarHBondContact O-N 3.29Å; E933-R1058 PolarHBondContact O-NH1 2.76Å; E933-R1058 PolarHBondContact O-NH2 3.2Å; E933-R1291 IonicContact OE1-CZ 3.81Å; E933-R1291 IonicContact OE1-NH1 3.36Å; E933-R1291 PolarHBondContact OE1-NH1 3.41Å; E933-R1291 VanDerWaalsContact OE1-NH1 3.11Å; E933-R1291 IonicContact OE1-NH2 3.64Å; E933-R1291 PolarHBondContact OE1-NH2 2.89Å | ||
| 934 | E | 47.1 | Very low | 51.7 | Low | 128 Ų | 128 | 98.3 Ų | 98.3 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | trans | -62.7 | 135.4 | 169.5 | -81.4 | -177.3 | 173.5 | 0 | 0 | 108.6 | R930 T932 T936 | R930-E934 IonicContact CZ-OE1 3.07Å; R930-E934 IonicContact CZ-OE2 3.92Å; R930-E934 IonicContact NH1-OE1 3.64Å; R930-E934 PolarHBondContact NH1-OE1 3.18Å; R930-E934 VanDerWaalsContact NH1-OE1 3.11Å; R930-E934 IonicContact NH1-OE2 3.75Å; R930-E934 PolarHBondContact NH1-OE2 3.26Å; R930-E934 IonicContact NH2-OE1 3.94Å; R930-E934 PolarHBondContact NH2-OE1 2.89Å; R930-E934 IonicContact NH2-OE2 3.01Å; T932-E934 PolarHBondContact O-N 2.87Å; E934-T936 PolarHBondContact O-N 2.94Å | ||
| 935 | E | 47.4 | Very low | 54.2 | Low | 74 Ų | 74 | 102.4 Ų | 102.4 | 35% | 0.346 | 51% | 0.506 | S | S | . | . | trans | -56.7 | 115.1 | 179.2 | -174.6 | 179.3 | 179.8 | 0 | 0 | 109.2 | E933 M937 R1062 R1252 | E933-E935 PolarHBondContact O-N 3.29Å; E935-M937 HydrophobicContact CG-CG 4.18Å; E935-M937 PolarHBondContact O-N 3.44Å; E935-R1062 IonicContact OE1-CZ 2.78Å; E935-R1062 IonicContact OE1-NH2 3.11Å; E935-R1062 PolarHBondContact OE1-NH2 3.46Å; E935-R1252 IonicContact OE1-CZ 2.78Å; E935-R1252 IonicContact OE1-NE 3.27Å; E935-R1252 IonicContact OE1-NH2 3.76Å; E935-R1252 PolarHBondContact OE1-NH2 3.39Å; E935-R1252 VanDerWaalsContact OE1-NH2 3.13Å | ||
| 936 | T | 40.3 | Very low | 56.7 | Low | 112 Ų | 112 | 95.7 Ų | 95.7 | 69% | 0.687 | 47% | 0.474 | S | S | * | . | trans | -68.6 | 87.7 | 170.6 | 44.8 | 0 | 0 | 0 | 0 | 108.3 | E934 E938 | E934-T936 PolarHBondContact O-N 2.94Å; T936-E938 PolarHBondContact O-N 2.94Å | ||
| 937 | M | 42 | Very low | 59 | Low | 65 Ų | 65 | 93.6 Ų | 93.6 | 32% | 0.32 | 46% | 0.459 | S | S | . | . | trans | -78.7 | 109.4 | 168.3 | -71.6 | -174.4 | 66.4 | 0 | 0 | 108.5 | E935 T939 R1129 | E935-M937 HydrophobicContact CG-CG 4.18Å; E935-M937 PolarHBondContact O-N 3.44Å; M937-T939 PolarHBondContact O-N 3.3Å; M937-T939 VanDerWaalsContact O-N 3.09Å; M937-R1129 HydrophobicContact CE-CG 4.15Å; M937-R1129 VanDerWaalsContact SD-CZ 3.52Å; M937-R1129 PolarHBondContact SD-NE 2.71Å; M937-R1129 VanDerWaalsContact SD-NE 3.45Å; M937-R1129 PolarHBondContact SD-NH2 3.29Å; M937-R1129 VanDerWaalsContact SD-NH2 3.43Å | ||
| 938 | E | 46.6 | Very low | 61.2 | Low | 162 Ų | 162 | 87 Ų | 87 | 76% | 0.757 | 44% | 0.44 | S | S | * | . | trans | -48.5 | 117.3 | 166.9 | -79.4 | -72.3 | 172.1 | 0 | 0 | 109.8 | T936 G940 | T936-E938 PolarHBondContact O-N 2.94Å; E938-G940 PolarHBondContact O-N 2.91Å | ||
| 939 | T | 47.3 | Very low | 63.4 | Low | 107 Ų | 107 | 84.7 Ų | 84.7 | 66% | 0.656 | 42% | 0.42 | S | S | * | . | trans | -87.9 | 100.5 | 179.3 | 52.3 | 0 | 0 | 0 | 0 | 108.9 | M937 | M937-T939 PolarHBondContact O-N 3.3Å; M937-T939 VanDerWaalsContact O-N 3.09Å | ||
| 940 | G | 57.7 | Low | 65.7 | Low | 37 Ų | 37 | 84.2 Ų | 84.2 | 38% | 0.381 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 171.4 | -170.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E938 R1125 | E938-G940 PolarHBondContact O-N 2.91Å; G940-R1125 PolarHBondContact O-NE 3.44Å; G940-R1125 PolarHBondContact O-NH1 3.28Å; G940-R1125 PolarHBondContact O-NH2 2.95Å |
| 941 | R | 63.2 | Low | 67.7 | Low | 148 Ų | 148 | 82.1 Ų | 82.1 | 56% | 0.558 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -74.6 | 146.4 | 160.9 | -76.5 | -176.4 | 173.7 | 168.6 | 4.2 | 108.4 | A943 R1118 | R941-A943 PolarHBondContact O-N 2.85Å; R941-R1118 VanDerWaalsContact NH2-CG 3.34Å |
| 942 | V | 70.3 | Confident | 69.6 | Low | 19 Ų | 19 | 86.9 Ų | 86.9 | 12% | 0.115 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 129 | 171.5 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | W944 I946 Y947 E1244 I1247 V1248 | V942-W944 PolarHBondContact O-N 3.34Å; V942-I946 HydrophobicContact CG1-CB 3.79Å; V942-I946 HydrophobicContact CG1-CG1 3.96Å; V942-I946 HydrophobicContact CG1-CG2 4.17Å; V942-Y947 HydrophobicContact CB-CE2 4.19Å; V942-Y947 HydrophobicContact CG1-CD2 4.44Å; V942-Y947 HydrophobicContact CG1-CE2 3.98Å; V942-E1244 HydrophobicContact CG2-CG 4.46Å; V942-I1247 HydrophobicContact CB-CG2 4.18Å; V942-I1247 HydrophobicContact CG1-CG2 3.87Å; V942-I1247 HydrophobicContact CG2-CG2 3.82Å; V942-V1248 HydrophobicContact CG2-CG2 3.72Å |
| 943 | A | 78.6 | Confident | 71.6 | Confident | 44 Ų | 44 | 84.7 Ų | 84.7 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -64 | 136.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | R941 R945 I946 | R941-A943 PolarHBondContact O-N 2.85Å; A943-R945 HydrophobicContact CB-CB 4.41Å; A943-R945 PolarHBondContact O-N 3.11Å; A943-I946 WeakPolarHBondContact O-CB 3.48Å; A943-I946 PolarHBondContact O-N 3.45Å |
| 944 | W | 84.8 | Confident | 73.5 | Confident | 214 Ų | 214 | 81.6 Ų | 81.6 | 81% | 0.811 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -53 | -25.8 | 175.5 | -87 | 109.8 | 0 | 0 | 0 | 113.6 | V942 I946 Y947 G948 | V942-W944 PolarHBondContact O-N 3.34Å; W944-I946 PolarHBondContact O-N 2.93Å; W944-Y947 HydrophobicContact CE3-CD2 4.05Å; W944-Y947 HydrophobicContact CE3-CG 4.2Å; W944-Y947 HydrophobicContact CZ3-CD2 4.47Å; W944-Y947 HydrophobicContact CZ3-CG 4.36Å; W944-Y947 PolarHBondContact O-N 3.48Å; W944-G948 PolarHBondContact O-N 2.97Å; W944-G948 VanDerWaalsContact O-N 3.09Å |
| 945 | R | 90.6 | Very high | 75.6 | Confident | 149 Ų | 149 | 76.6 Ų | 76.6 | 56% | 0.562 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -51.4 | -39.8 | 171.6 | -172.5 | 179.8 | 73.9 | -172.7 | -0.1 | 112.6 | A943 G948 I949 | A943-R945 HydrophobicContact CB-CB 4.41Å; A943-R945 PolarHBondContact O-N 3.11Å; R945-G948 WeakPolarHBondContact O-CA 3.25Å; R945-G948 PolarHBondContact O-N 2.97Å; R945-I949 HydrophobicContact CG-CD1 4.31Å; R945-I949 WeakPolarHBondContact O-CG1 3.34Å; R945-I949 PolarHBondContact O-N 2.69Å |
| 946 | I | 90.1 | Very high | 77.6 | Confident | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.1 | -43.1 | -177.5 | -55.6 | -54.2 | 0 | 0 | 0 | 111 | V942 A943 W944 G948 I949 Y950 I1247 V1250 E1251 | V942-I946 HydrophobicContact CG1-CB 3.79Å; V942-I946 HydrophobicContact CG1-CG1 3.96Å; V942-I946 HydrophobicContact CG1-CG2 4.17Å; A943-I946 WeakPolarHBondContact O-CB 3.48Å; A943-I946 PolarHBondContact O-N 3.45Å; W944-I946 PolarHBondContact O-N 2.93Å; I946-G948 VanDerWaalsContact C-N 3.26Å; I946-G948 PolarHBondContact O-N 3.47Å; I946-I949 HydrophobicContact CD1-CD1 4.25Å; I946-I949 PolarHBondContact O-N 2.97Å; I946-I949 VanDerWaalsContact O-N 3.16Å; I946-Y950 PolarHBondContact O-N 3.39Å; I946-I1247 HydrophobicContact CG2-CG1 4Å; I946-V1250 HydrophobicContact CG2-CB 4.09Å; I946-V1250 HydrophobicContact CG2-CG1 4.06Å; I946-E1251 HydrophobicContact CD1-CB 4.05Å; I946-E1251 HydrophobicContact CD1-CG 3.95Å; I946-E1251 HydrophobicContact CG1-CB 4Å; I946-E1251 HydrophobicContact CG1-CG 4.05Å; I946-E1251 HydrophobicContact CG2-CB 4.04Å |
| 947 | Y | 90.6 | Very high | 80 | Confident | 53 Ų | 53 | 81.5 Ų | 81.5 | 21% | 0.208 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 171.9 | -66.4 | -88.1 | 0 | 0 | 0 | 111.3 | V942 W944 I949 Y950 M951 V1243 I1247 | V942-Y947 HydrophobicContact CB-CE2 4.19Å; V942-Y947 HydrophobicContact CG1-CD2 4.44Å; V942-Y947 HydrophobicContact CG1-CE2 3.98Å; W944-Y947 HydrophobicContact CE3-CD2 4.05Å; W944-Y947 HydrophobicContact CE3-CG 4.2Å; W944-Y947 HydrophobicContact CZ3-CD2 4.47Å; W944-Y947 HydrophobicContact CZ3-CG 4.36Å; W944-Y947 PolarHBondContact O-N 3.48Å; Y947-I949 PolarHBondContact O-N 3.25Å; Y947-Y950 PolarHBondContact O-N 3.42Å; Y947-M951 WeakPolarHBondContact O-CG 3.46Å; Y947-M951 PolarHBondContact O-N 2.71Å; Y947-V1243 HydrophobicContact CE1-CG1 4.24Å; Y947-I1247 HydrophobicContact CD1-CD1 4.48Å; Y947-I1247 HydrophobicContact CD1-CG1 4.21Å; Y947-I1247 HydrophobicContact CE1-CB 4.4Å; Y947-I1247 HydrophobicContact CE1-CG1 4.07Å; Y947-I1247 HydrophobicContact CE1-CG2 4.26Å; Y947-I1247 HydrophobicContact CE2-CG2 4.41Å |
| 948 | G | 92.5 | Very high | 82.4 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 33% | 0.33 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W944 R945 I946 R952 | W944-G948 PolarHBondContact O-N 2.97Å; W944-G948 VanDerWaalsContact O-N 3.09Å; R945-G948 WeakPolarHBondContact O-CA 3.25Å; R945-G948 PolarHBondContact O-N 2.97Å; I946-G948 VanDerWaalsContact C-N 3.26Å; I946-G948 PolarHBondContact O-N 3.47Å; G948-R952 VanDerWaalsContact O-CB 3.26Å; G948-R952 WeakPolarHBondContact O-CB 3.38Å; G948-R952 PolarHBondContact O-N 2.88Å |
| 949 | I | 90.9 | Very high | 84.5 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 19% | 0.185 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 176.4 | -67.6 | 165.9 | 0 | 0 | 0 | 111.1 | R945 I946 Y947 S953 D1254 | R945-I949 HydrophobicContact CG-CD1 4.31Å; R945-I949 WeakPolarHBondContact O-CG1 3.34Å; R945-I949 PolarHBondContact O-N 2.69Å; I946-I949 HydrophobicContact CD1-CD1 4.25Å; I946-I949 PolarHBondContact O-N 2.97Å; I946-I949 VanDerWaalsContact O-N 3.16Å; Y947-I949 PolarHBondContact O-N 3.25Å; I949-S953 WeakPolarHBondContact O-CB 3.27Å; I949-S953 PolarHBondContact O-N 3.21Å; I949-S953 PolarHBondContact O-OG 2.91Å; I949-D1254 HydrophobicContact CD1-CB 4.48Å; I949-D1254 VanDerWaalsContact CD1-OD2 3.24Å; I949-D1254 WeakPolarHBondContact CD1-OD2 3.35Å |
| 950 | Y | 92.9 | Very high | 86.6 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 3% | 0.027 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66 | -48.9 | 177.6 | -171.4 | -112 | 0 | 0 | 0 | 111.6 | I946 Y947 R952 S953 I954 A1031 L1035 V1070 L1074 I1078 I1247 V1250 | I946-Y950 PolarHBondContact O-N 3.39Å; Y947-Y950 PolarHBondContact O-N 3.42Å; Y950-R952 VanDerWaalsContact C-N 3.33Å; Y950-R952 PolarHBondContact O-N 2.92Å; Y950-S953 WeakPolarHBondContact O-CA 3.36Å; Y950-S953 WeakPolarHBondContact O-CB 3.35Å; Y950-S953 PolarHBondContact O-N 3.45Å; Y950-I954 HydrophobicContact CD1-CD1 3.96Å; Y950-I954 HydrophobicContact CE1-CD1 3.63Å; Y950-I954 HydrophobicContact CE1-CG1 4.49Å; Y950-I954 PolarHBondContact O-N 2.8Å; Y950-I954 VanDerWaalsContact O-N 3.08Å; Y950-A1031 HydrophobicContact CE2-CB 4.29Å; Y950-L1035 HydrophobicContact CD2-CD1 4.21Å; Y950-V1070 HydrophobicContact CE2-CG1 4.11Å; Y950-L1074 HydrophobicContact CD1-CD2 4.48Å; Y950-L1074 HydrophobicContact CD2-CD2 4.24Å; Y950-L1074 HydrophobicContact CE1-CD2 4.02Å; Y950-L1074 HydrophobicContact CE1-CG 4.45Å; Y950-L1074 HydrophobicContact CE2-CD2 3.77Å; Y950-I1078 HydrophobicContact CD1-CD1 4.25Å; Y950-I1078 HydrophobicContact CE1-CD1 3.51Å; Y950-I1247 HydrophobicContact CD1-CD1 4.47Å; Y950-I1247 HydrophobicContact CG-CD1 4.25Å; Y950-V1250 HydrophobicContact CD2-CG2 4.06Å |
| 951 | M | 92.3 | Very high | 88.2 | Confident | 91 Ų | 91 | 74 Ų | 74 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 175.9 | -70.8 | -173.3 | -68.5 | 0 | 0 | 112.6 | Y947 S953 I954 G955 | Y947-M951 WeakPolarHBondContact O-CG 3.46Å; Y947-M951 PolarHBondContact O-N 2.71Å; M951-S953 VanDerWaalsContact C-N 3.26Å; M951-S953 PolarHBondContact O-N 2.82Å; M951-I954 PolarHBondContact O-N 3.27Å; M951-G955 PolarHBondContact O-N 3.41Å |
| 952 | R | 93.3 | Very high | 89.6 | Confident | 189 Ų | 189 | 67.5 Ų | 67.5 | 71% | 0.713 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -68.6 | -26.3 | 175.4 | -169.5 | 174.5 | -176.8 | 172.8 | 1 | 112.6 | G948 Y950 | G948-R952 VanDerWaalsContact O-CB 3.26Å; G948-R952 WeakPolarHBondContact O-CB 3.38Å; G948-R952 PolarHBondContact O-N 2.88Å; Y950-R952 VanDerWaalsContact C-N 3.33Å; Y950-R952 PolarHBondContact O-N 2.92Å |
| 953 | S | 92 | Very high | 90.6 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 12% | 0.119 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.6 | -32.6 | 173.4 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | I949 Y950 M951 A1031 | I949-S953 WeakPolarHBondContact O-CB 3.27Å; I949-S953 PolarHBondContact O-N 3.21Å; I949-S953 PolarHBondContact O-OG 2.91Å; Y950-S953 WeakPolarHBondContact O-CA 3.36Å; Y950-S953 WeakPolarHBondContact O-CB 3.35Å; Y950-S953 PolarHBondContact O-N 3.45Å; M951-S953 VanDerWaalsContact C-N 3.26Å; M951-S953 PolarHBondContact O-N 2.82Å; S953-A1031 WeakPolarHBondContact O-CA 3.41Å |
| 954 | I | 93.1 | Very high | 91.3 | Very high | 28 Ų | 28 | 74.2 Ų | 74.2 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.2 | -41.4 | 172.5 | -65.8 | 171.4 | 0 | 0 | 0 | 111.3 | Y950 M951 T958 M1028 A1031 | Y950-I954 HydrophobicContact CD1-CD1 3.96Å; Y950-I954 HydrophobicContact CE1-CD1 3.63Å; Y950-I954 HydrophobicContact CE1-CG1 4.49Å; Y950-I954 PolarHBondContact O-N 2.8Å; Y950-I954 VanDerWaalsContact O-N 3.08Å; M951-I954 PolarHBondContact O-N 3.27Å; I954-T958 HydrophobicContact CG2-CG2 4.12Å; I954-M1028 HydrophobicContact CD1-CG 4.14Å; I954-A1031 HydrophobicContact CB-CB 4.47Å; I954-A1031 HydrophobicContact CG1-CB 3.63Å |
| 955 | G | 91.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 64.7 Ų | 64.7 | 24% | 0.237 | 32% | 0.321 | C | S | . | . | trans | 108.6 | 127.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M951 F957 T958 C959 | M951-G955 PolarHBondContact O-N 3.41Å; G955-F957 VanDerWaalsContact C-N 3.33Å; G955-F957 PolarHBondContact O-N 3.4Å; G955-T958 WeakPolarHBondContact O-CB 3.28Å; G955-T958 PolarHBondContact O-N 3.15Å; G955-C959 PolarHBondContact O-N 3.12Å; G955-C959 PolarHBondContact O-SG 3.43Å | ||
| 956 | I | 89.3 | Confident | 91.7 | Very high | 132 Ų | 132 | 57.8 Ų | 57.8 | 68% | 0.677 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | -174.9 | -62.7 | 167.1 | 0 | 0 | 0 | 110.8 | C959 L960 | I956-C959 WeakPolarHBondContact O-CB 3.29Å; I956-C959 PolarHBondContact O-N 2.9Å; I956-L960 PolarHBondContact O-N 3.41Å |
| 957 | F | 91.1 | Very high | 91.8 | Very high | 157 Ų | 157 | 61.9 Ų | 61.9 | 69% | 0.689 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 177.3 | -173.1 | -96.9 | 0 | 0 | 0 | 111.8 | G955 C959 L960 T961 | G955-F957 VanDerWaalsContact C-N 3.33Å; G955-F957 PolarHBondContact O-N 3.4Å; F957-C959 VanDerWaalsContact C-N 3.3Å; F957-C959 PolarHBondContact O-N 3.21Å; F957-L960 PolarHBondContact O-N 2.9Å; F957-T961 HydrophobicContact CD1-CG2 4.09Å; F957-T961 HydrophobicContact CE1-CG2 3.73Å; F957-T961 HydrophobicContact CZ-CG2 4.07Å; F957-T961 WeakPolarHBondContact O-CG2 3.5Å; F957-T961 PolarHBondContact O-N 3.41Å; F957-T961 PolarHBondContact O-OG1 3.17Å |
| 958 | T | 91 | Very high | 91.9 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 22% | 0.221 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61 | -38.3 | 175.2 | -43.3 | 0 | 0 | 0 | 0 | 112 | I954 G955 T961 V962 V1023 | I954-T958 HydrophobicContact CG2-CG2 4.12Å; G955-T958 WeakPolarHBondContact O-CB 3.28Å; G955-T958 PolarHBondContact O-N 3.15Å; T958-T961 WeakPolarHBondContact CA-OG1 3.41Å; T958-T961 PolarHBondContact O-OG1 3.35Å; T958-V962 WeakPolarHBondContact O-CB 3.4Å; T958-V962 WeakPolarHBondContact O-CG2 3.22Å; T958-V962 PolarHBondContact O-N 2.93Å; T958-V962 VanDerWaalsContact O-N 3.13Å; T958-V1023 HydrophobicContact CG2-CG1 3.63Å |
| 959 | C | 91.7 | Very high | 91.9 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 24% | 0.243 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 176.2 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | G955 I956 F957 F963 | G955-C959 PolarHBondContact O-N 3.12Å; G955-C959 PolarHBondContact O-SG 3.43Å; I956-C959 WeakPolarHBondContact O-CB 3.29Å; I956-C959 PolarHBondContact O-N 2.9Å; F957-C959 VanDerWaalsContact C-N 3.3Å; F957-C959 PolarHBondContact O-N 3.21Å; C959-F963 WeakPolarHBondContact O-CB 3.29Å; C959-F963 PolarHBondContact O-N 3.25Å |
| 960 | L | 91.9 | Very high | 91.9 | Very high | 94 Ų | 94 | 58.9 Ų | 58.9 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 178.3 | -174.2 | 68 | 0 | 0 | 0 | 111.9 | I956 F957 V962 F963 L964 | I956-L960 PolarHBondContact O-N 3.41Å; F957-L960 PolarHBondContact O-N 2.9Å; L960-V962 VanDerWaalsContact C-N 3.35Å; L960-V962 PolarHBondContact O-N 3.11Å; L960-F963 PolarHBondContact O-N 2.85Å; L960-L964 HydrophobicContact CG-CD1 4.14Å; L960-L964 WeakPolarHBondContact O-CB 3.25Å; L960-L964 WeakPolarHBondContact O-CG 3.37Å; L960-L964 PolarHBondContact O-N 3.35Å |
| 961 | T | 91.5 | Very high | 91.9 | Very high | 47 Ų | 47 | 61 Ų | 61 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 112 | F957 T958 L964 A965 | F957-T961 HydrophobicContact CD1-CG2 4.09Å; F957-T961 HydrophobicContact CE1-CG2 3.73Å; F957-T961 HydrophobicContact CZ-CG2 4.07Å; F957-T961 WeakPolarHBondContact O-CG2 3.5Å; F957-T961 PolarHBondContact O-N 3.41Å; F957-T961 PolarHBondContact O-OG1 3.17Å; T958-T961 WeakPolarHBondContact CA-OG1 3.41Å; T958-T961 PolarHBondContact O-OG1 3.35Å; T961-L964 PolarHBondContact O-N 2.93Å; T961-A965 WeakPolarHBondContact O-CB 3.48Å; T961-A965 PolarHBondContact O-N 3.48Å |
| 962 | V | 92 | Very high | 91.9 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 173.7 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | T958 L960 L964 A965 Y966 V1023 M1024 | T958-V962 WeakPolarHBondContact O-CB 3.4Å; T958-V962 WeakPolarHBondContact O-CG2 3.22Å; T958-V962 PolarHBondContact O-N 2.93Å; T958-V962 VanDerWaalsContact O-N 3.13Å; L960-V962 VanDerWaalsContact C-N 3.35Å; L960-V962 PolarHBondContact O-N 3.11Å; V962-L964 VanDerWaalsContact C-N 3.32Å; V962-L964 PolarHBondContact O-N 3.5Å; V962-A965 PolarHBondContact O-N 2.91Å; V962-Y966 HydrophobicContact CG1-CD2 3.87Å; V962-Y966 HydrophobicContact CG1-CE2 4Å; V962-Y966 WeakPolarHBondContact O-CD2 3.41Å; V962-Y966 PolarHBondContact O-N 2.93Å; V962-V1023 HydrophobicContact CG2-CB 4.18Å; V962-V1023 HydrophobicContact CG2-CG1 3.87Å; V962-M1024 HydrophobicContact CG1-CB 4.11Å; V962-M1024 HydrophobicContact CG1-CE 3.34Å; V962-M1024 HydrophobicContact CG1-CG 4.42Å; V962-M1024 HydrophobicContact CG2-CB 3.77Å |
| 963 | F | 91.1 | Very high | 91.8 | Very high | 116 Ų | 116 | 51 Ų | 51 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 178.2 | 179.3 | -105.9 | 0 | 0 | 0 | 111.8 | C959 L960 Y966 L967 | C959-F963 WeakPolarHBondContact O-CB 3.29Å; C959-F963 PolarHBondContact O-N 3.25Å; L960-F963 PolarHBondContact O-N 2.85Å; F963-Y966 PolarHBondContact O-N 3.48Å; F963-L967 HydrophobicContact CD1-CD1 3.89Å; F963-L967 HydrophobicContact CD1-CG 4.46Å; F963-L967 HydrophobicContact CE1-CD1 3.37Å; F963-L967 HydrophobicContact CE1-CG 4.12Å; F963-L967 HydrophobicContact CE2-CG 4.49Å; F963-L967 HydrophobicContact CZ-CD1 3.75Å; F963-L967 HydrophobicContact CZ-CD2 4.29Å; F963-L967 HydrophobicContact CZ-CG 4.13Å; F963-L967 WeakPolarHBondContact O-CG 3.09Å; F963-L967 PolarHBondContact O-N 3.33Å |
| 964 | L | 92.7 | Very high | 91.8 | Very high | 89 Ų | 89 | 52 Ų | 52 | 47% | 0.466 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 175.4 | -73.8 | 167.1 | 0 | 0 | 0 | 112.3 | L960 T961 V962 Y966 L967 V968 | L960-L964 HydrophobicContact CG-CD1 4.14Å; L960-L964 WeakPolarHBondContact O-CB 3.25Å; L960-L964 WeakPolarHBondContact O-CG 3.37Å; L960-L964 PolarHBondContact O-N 3.35Å; T961-L964 PolarHBondContact O-N 2.93Å; V962-L964 VanDerWaalsContact C-N 3.32Å; V962-L964 PolarHBondContact O-N 3.5Å; L964-Y966 VanDerWaalsContact C-N 3.33Å; L964-Y966 PolarHBondContact O-N 2.74Å; L964-L967 PolarHBondContact O-N 3.4Å; L964-V968 VanDerWaalsContact O-CG2 3.31Å; L964-V968 WeakPolarHBondContact O-CG2 3.45Å; L964-V968 PolarHBondContact O-N 2.95Å |
| 965 | A | 92.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T961 V962 V968 T969 | T961-A965 WeakPolarHBondContact O-CB 3.48Å; T961-A965 PolarHBondContact O-N 3.48Å; V962-A965 PolarHBondContact O-N 2.91Å; A965-V968 PolarHBondContact O-N 2.97Å; A965-T969 PolarHBondContact O-N 2.9Å; A965-T969 PolarHBondContact O-OG1 3.37Å; A965-T969 VanDerWaalsContact O-OG1 3.11Å |
| 966 | Y | 91.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | 176.4 | -88 | -81 | 0 | 0 | 0 | 113.3 | V962 F963 L964 T969 G970 M1017 M1024 M1082 N1083 T1086 | V962-Y966 HydrophobicContact CG1-CD2 3.87Å; V962-Y966 HydrophobicContact CG1-CE2 4Å; V962-Y966 WeakPolarHBondContact O-CD2 3.41Å; V962-Y966 PolarHBondContact O-N 2.93Å; F963-Y966 PolarHBondContact O-N 3.48Å; L964-Y966 VanDerWaalsContact C-N 3.33Å; L964-Y966 PolarHBondContact O-N 2.74Å; Y966-T969 PolarHBondContact O-N 3.16Å; Y966-G970 PolarHBondContact O-N 3.07Å; Y966-M1017 HydrophobicContact CE1-CG 4.46Å; Y966-M1024 HydrophobicContact CD2-CE 4.44Å; Y966-M1024 HydrophobicContact CE2-CE 3.64Å; Y966-M1082 HydrophobicContact CD1-CB 4.19Å; Y966-M1082 HydrophobicContact CD2-CB 4.3Å; Y966-M1082 HydrophobicContact CE1-CB 3.86Å; Y966-M1082 HydrophobicContact CE2-CB 4Å; Y966-M1082 HydrophobicContact CG-CB 4.39Å; Y966-N1083 WeakPolarHBondContact CE1-OD1 3.05Å; Y966-N1083 PolarHBondContact OH-OD1 3.4Å; Y966-T1086 WeakPolarHBondContact CD1-OG1 3.46Å |
| 967 | L | 91.7 | Very high | 91.6 | Very high | 87 Ų | 87 | 46.9 Ų | 46.9 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 172.4 | -74.1 | -179.4 | 0 | 0 | 0 | 111.8 | F963 L964 G970 A971 | F963-L967 HydrophobicContact CD1-CD1 3.89Å; F963-L967 HydrophobicContact CD1-CG 4.46Å; F963-L967 HydrophobicContact CE1-CD1 3.37Å; F963-L967 HydrophobicContact CE1-CG 4.12Å; F963-L967 HydrophobicContact CE2-CG 4.49Å; F963-L967 HydrophobicContact CZ-CD1 3.75Å; F963-L967 HydrophobicContact CZ-CD2 4.29Å; F963-L967 HydrophobicContact CZ-CG 4.13Å; F963-L967 WeakPolarHBondContact O-CG 3.09Å; F963-L967 PolarHBondContact O-N 3.33Å; L964-L967 PolarHBondContact O-N 3.4Å; L967-G970 PolarHBondContact O-N 3.39Å; L967-A971 PolarHBondContact O-N 3.1Å |
| 968 | V | 93.7 | Very high | 91.5 | Very high | 52 Ų | 52 | 41.2 Ų | 41.2 | 32% | 0.315 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L964 A965 G970 A971 F972 F1016 | L964-V968 VanDerWaalsContact O-CG2 3.31Å; L964-V968 WeakPolarHBondContact O-CG2 3.45Å; L964-V968 PolarHBondContact O-N 2.95Å; A965-V968 PolarHBondContact O-N 2.97Å; V968-G970 VanDerWaalsContact C-N 3.33Å; V968-G970 PolarHBondContact O-N 3.16Å; V968-A971 PolarHBondContact O-N 3.32Å; V968-F972 HydrophobicContact CG1-CD2 3.63Å; V968-F972 HydrophobicContact CG1-CE2 3.45Å; V968-F972 VanDerWaalsContact CG1-CE2 3.45Å; V968-F972 VanDerWaalsContact O-CD2 3.28Å; V968-F972 WeakPolarHBondContact O-CD2 3.45Å; V968-F972 PolarHBondContact O-N 3.19Å; V968-F1016 HydrophobicContact CB-CG 4.5Å; V968-F1016 HydrophobicContact CG1-CB 4.19Å; V968-F1016 HydrophobicContact CG1-CD1 3.89Å; V968-F1016 HydrophobicContact CG1-CD2 3.72Å; V968-F1016 HydrophobicContact CG1-CE1 4.18Å; V968-F1016 HydrophobicContact CG1-CE2 4.05Å; V968-F1016 HydrophobicContact CG1-CG 3.65Å; V968-F1016 HydrophobicContact CG1-CZ 4.26Å |
| 969 | T | 91.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.8 | -45 | 171.7 | -66.7 | 0 | 0 | 0 | 0 | 111.9 | A965 Y966 A971 F972 T973 Q1013 M1017 | A965-T969 PolarHBondContact O-N 2.9Å; A965-T969 PolarHBondContact O-OG1 3.37Å; A965-T969 VanDerWaalsContact O-OG1 3.11Å; Y966-T969 PolarHBondContact O-N 3.16Å; T969-A971 VanDerWaalsContact C-N 3.34Å; T969-A971 PolarHBondContact O-N 3.01Å; T969-F972 PolarHBondContact O-N 3.4Å; T969-T973 PolarHBondContact O-N 3.49Å; T969-T973 PolarHBondContact O-OG1 3.31Å; T969-Q1013 HydrophobicContact CG2-CG 3.9Å; T969-Q1013 PolarHBondContact OG1-O 2.85Å; T969-M1017 HydrophobicContact CG2-CB 3.9Å; T969-M1017 HydrophobicContact CG2-CE 3.47Å; T969-M1017 VanDerWaalsContact CG2-CE 3.47Å; T969-M1017 HydrophobicContact CG2-CG 4.3Å; T969-M1017 WeakPolarHBondContact OG1-CA 3.5Å; T969-M1017 PolarHBondContact OG1-N 3.24Å |
| 970 | G | 91.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y966 L967 V968 T973 I974 T1090 | Y966-G970 PolarHBondContact O-N 3.07Å; L967-G970 PolarHBondContact O-N 3.39Å; V968-G970 VanDerWaalsContact C-N 3.33Å; V968-G970 PolarHBondContact O-N 3.16Å; G970-T973 WeakPolarHBondContact O-CB 3.4Å; G970-T973 PolarHBondContact O-N 3.24Å; G970-I974 WeakPolarHBondContact O-CG1 3.34Å; G970-I974 PolarHBondContact O-N 3.43Å; G970-I974 VanDerWaalsContact O-N 3.1Å; G970-T1090 WeakPolarHBondContact CA-OG1 3.25Å |
| 971 | A | 92.9 | Very high | 91.4 | Very high | 51 Ų | 51 | 36.9 Ų | 36.9 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.1 | -47.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L967 V968 T969 T973 I974 V975 | L967-A971 PolarHBondContact O-N 3.1Å; V968-A971 PolarHBondContact O-N 3.32Å; T969-A971 VanDerWaalsContact C-N 3.34Å; T969-A971 PolarHBondContact O-N 3.01Å; A971-T973 VanDerWaalsContact C-N 3.26Å; A971-T973 PolarHBondContact O-N 2.79Å; A971-I974 WeakPolarHBondContact O-CB 3.11Å; A971-I974 PolarHBondContact O-N 3.22Å; A971-I974 VanDerWaalsContact O-N 3.16Å; A971-V975 WeakPolarHBondContact O-CG2 3.31Å; A971-V975 PolarHBondContact O-N 3.29Å |
| 972 | F | 93.3 | Very high | 91.2 | Very high | 52 Ų | 52 | 40.6 Ų | 40.6 | 23% | 0.228 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.1 | -33.8 | 175.5 | -81.1 | -64.2 | 0 | 0 | 0 | 112.7 | V968 T969 V975 S976 F1009 A1012 Q1013 F1016 | V968-F972 HydrophobicContact CG1-CD2 3.63Å; V968-F972 HydrophobicContact CG1-CE2 3.45Å; V968-F972 VanDerWaalsContact CG1-CE2 3.45Å; V968-F972 VanDerWaalsContact O-CD2 3.28Å; V968-F972 WeakPolarHBondContact O-CD2 3.45Å; V968-F972 PolarHBondContact O-N 3.19Å; T969-F972 PolarHBondContact O-N 3.4Å; F972-V975 PolarHBondContact O-N 2.91Å; F972-S976 WeakPolarHBondContact O-CB 3.34Å; F972-S976 PolarHBondContact O-N 2.86Å; F972-F1009 AromaticContact CD1-CD1 3.86Å; F972-F1009 HydrophobicContact CD1-CD1 3.86Å; F972-F1009 HydrophobicContact CE1-CD1 4.03Å; F972-A1012 HydrophobicContact CD1-CB 3.99Å; F972-A1012 HydrophobicContact CD2-CB 4.29Å; F972-A1012 HydrophobicContact CE1-CB 3.9Å; F972-A1012 HydrophobicContact CE2-CB 4.21Å; F972-A1012 HydrophobicContact CG-CB 4.2Å; F972-A1012 HydrophobicContact CZ-CB 4.01Å; F972-Q1013 HydrophobicContact CB-CB 3.88Å; F972-F1016 AromaticContact CD2-CD2 3.84Å; F972-F1016 HydrophobicContact CD2-CD2 3.84Å; F972-F1016 HydrophobicContact CD2-CE2 4.24Å; F972-F1016 AromaticContact CE2-CD2 3.46Å; F972-F1016 HydrophobicContact CE2-CD2 3.46Å; F972-F1016 VanDerWaalsContact CE2-CD2 3.46Å; F972-F1016 AromaticContact CE2-CE2 3.4Å; F972-F1016 HydrophobicContact CE2-CE2 3.4Å; F972-F1016 HydrophobicContact CE2-CZ 4.41Å; F972-F1016 HydrophobicContact CZ-CD2 4.45Å; F972-F1016 HydrophobicContact CZ-CE2 4.05Å |
| 973 | T | 89.9 | Confident | 91.1 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 174.9 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | T969 G970 A971 S977 Q1013 T1090 | T969-T973 PolarHBondContact O-N 3.49Å; T969-T973 PolarHBondContact O-OG1 3.31Å; G970-T973 WeakPolarHBondContact O-CB 3.4Å; G970-T973 PolarHBondContact O-N 3.24Å; A971-T973 VanDerWaalsContact C-N 3.26Å; A971-T973 PolarHBondContact O-N 2.79Å; T973-S977 WeakPolarHBondContact O-CB 3.28Å; T973-S977 PolarHBondContact O-N 2.84Å; T973-S977 VanDerWaalsContact O-N 3.09Å; T973-S977 PolarHBondContact O-OG 3.48Å; T973-Q1013 VanDerWaalsContact OG1-CD 3.3Å; T973-Q1013 WeakPolarHBondContact OG1-CG 3.33Å; T973-Q1013 PolarHBondContact OG1-NE2 3.48Å; T973-T1090 HydrophobicContact CG2-CG2 3.79Å |
| 974 | I | 91.4 | Very high | 91.1 | Very high | 38 Ų | 38 | 35 Ų | 35 | 20% | 0.195 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -51 | 176.5 | -63.1 | 164.7 | 0 | 0 | 0 | 110 | G970 A971 S976 S977 D978 T1090 V1093 I1094 I1097 | G970-I974 WeakPolarHBondContact O-CG1 3.34Å; G970-I974 PolarHBondContact O-N 3.43Å; G970-I974 VanDerWaalsContact O-N 3.1Å; A971-I974 WeakPolarHBondContact O-CB 3.11Å; A971-I974 PolarHBondContact O-N 3.22Å; A971-I974 VanDerWaalsContact O-N 3.16Å; I974-S976 PolarHBondContact O-N 3.12Å; I974-S977 PolarHBondContact O-N 2.98Å; I974-D978 PolarHBondContact O-N 3.01Å; I974-T1090 HydrophobicContact CG1-CG2 3.86Å; I974-V1093 HydrophobicContact CD1-CB 4.21Å; I974-V1093 HydrophobicContact CD1-CG1 3.68Å; I974-I1094 HydrophobicContact CB-CG1 4.47Å; I974-I1094 HydrophobicContact CG1-CD1 4.39Å; I974-I1094 HydrophobicContact CG1-CG1 4Å; I974-I1094 HydrophobicContact CG2-CG1 4.3Å; I974-I1097 HydrophobicContact CG2-CD1 4.16Å |
| 975 | V | 92.3 | Very high | 90.7 | Very high | 63 Ų | 63 | 32.6 Ų | 32.6 | 38% | 0.382 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.3 | -45.8 | -178.9 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | A971 F972 S977 D978 W979 F1009 | A971-V975 WeakPolarHBondContact O-CG2 3.31Å; A971-V975 PolarHBondContact O-N 3.29Å; F972-V975 PolarHBondContact O-N 2.91Å; V975-S977 VanDerWaalsContact C-N 3.26Å; V975-S977 PolarHBondContact O-N 2.87Å; V975-D978 PolarHBondContact O-N 3.06Å; V975-W979 WeakPolarHBondContact O-CB 3.48Å; V975-W979 PolarHBondContact O-N 2.77Å; V975-F1009 HydrophobicContact CG1-CD1 3.99Å; V975-F1009 HydrophobicContact CG1-CD2 3.98Å; V975-F1009 HydrophobicContact CG1-CE1 3.79Å; V975-F1009 HydrophobicContact CG1-CE2 3.8Å; V975-F1009 HydrophobicContact CG1-CG 4.09Å; V975-F1009 HydrophobicContact CG1-CZ 3.7Å |
| 976 | S | 90.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.2 | -38.8 | 177.1 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | F972 I974 W979 L980 Y1006 | F972-S976 WeakPolarHBondContact O-CB 3.34Å; F972-S976 PolarHBondContact O-N 2.86Å; I974-S976 PolarHBondContact O-N 3.12Å; S976-W979 WeakPolarHBondContact O-CB 3.41Å; S976-W979 PolarHBondContact O-N 2.68Å; S976-L980 PolarHBondContact O-N 3.35Å; S976-L980 VanDerWaalsContact O-N 3.07Å; S976-Y1006 WeakPolarHBondContact O-CD2 3.36Å; S976-Y1006 WeakPolarHBondContact O-CE2 3.46Å; S976-Y1006 WeakPolarHBondContact OG-CD2 3.3Å; S976-Y1006 WeakPolarHBondContact OG-CE2 3.45Å |
| 977 | S | 89 | Confident | 89.8 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -77.1 | -40.6 | -177.3 | -53.7 | 0 | 0 | 0 | 0 | 113.2 | T973 I974 V975 W979 L980 A981 Y1225 | T973-S977 WeakPolarHBondContact O-CB 3.28Å; T973-S977 PolarHBondContact O-N 2.84Å; T973-S977 VanDerWaalsContact O-N 3.09Å; T973-S977 PolarHBondContact O-OG 3.48Å; I974-S977 PolarHBondContact O-N 2.98Å; V975-S977 VanDerWaalsContact C-N 3.26Å; V975-S977 PolarHBondContact O-N 2.87Å; S977-W979 VanDerWaalsContact C-N 3.28Å; S977-L980 PolarHBondContact O-N 3.32Å; S977-A981 PolarHBondContact O-N 3.06Å; S977-Y1225 PolarHBondContact OG-OH 2.85Å |
| 978 | D | 88.8 | Confident | 89 | Confident | 39 Ų | 39 | 34 Ų | 34 | 21% | 0.209 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -38.9 | 170.6 | -177.3 | 54.1 | 0 | 0 | 0 | 110.8 | I974 V975 L980 A981 R982 | I974-D978 PolarHBondContact O-N 3.01Å; V975-D978 PolarHBondContact O-N 3.06Å; D978-L980 VanDerWaalsContact C-N 3.34Å; D978-L980 PolarHBondContact O-N 3.37Å; D978-A981 PolarHBondContact O-N 3.16Å; D978-R982 WeakPolarHBondContact O-CG 3.36Å; D978-R982 PolarHBondContact O-N 3.37Å; D978-R982 IonicContact OD1-NE 3.27Å; D978-R982 IonicContact OD1-NH2 2.63Å; D978-R982 IonicContact OD2-CZ 3.88Å; D978-R982 IonicContact OD2-NE 2.8Å; D978-R982 PolarHBondContact OD2-NE 2.69Å; D978-R982 IonicContact OD2-NH2 3.02Å; D978-R982 PolarHBondContact OD2-NH2 3.21Å |
| 979 | W | 91.6 | Very high | 88.3 | Confident | 72 Ų | 72 | 33.6 Ų | 33.6 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 175.4 | -166.3 | -88.1 | 0 | 0 | 0 | 112.4 | V975 S976 S977 W983 R1002 F1009 | V975-W979 WeakPolarHBondContact O-CB 3.48Å; V975-W979 PolarHBondContact O-N 2.77Å; S976-W979 WeakPolarHBondContact O-CB 3.41Å; S976-W979 PolarHBondContact O-N 2.68Å; S977-W979 VanDerWaalsContact C-N 3.28Å; W979-W983 WeakPolarHBondContact O-CB 3.4Å; W979-W983 PolarHBondContact O-N 2.82Å; W979-R1002 PolarHBondContact NE1-O 3.32Å; W979-R1002 VanDerWaalsContact NE1-O 3.09Å; W979-F1009 HydrophobicContact CB-CD2 4.48Å; W979-F1009 HydrophobicContact CD2-CD2 4.44Å; W979-F1009 AromaticContact CD2-CE2 3.89Å; W979-F1009 HydrophobicContact CD2-CE2 3.89Å; W979-F1009 AromaticContact CE3-CE2 3.78Å; W979-F1009 HydrophobicContact CE3-CE2 3.78Å; W979-F1009 HydrophobicContact CG-CD2 4.36Å; W979-F1009 HydrophobicContact CG-CE2 4.27Å; W979-F1009 HydrophobicContact CZ3-CE2 4.25Å |
| 980 | L | 90.3 | Very high | 87.4 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.1 | -40.5 | 174.9 | -178.6 | 62.2 | 0 | 0 | 0 | 112.1 | F570 L582 L591 S976 S977 D978 W983 S984 Y1006 | F570-L980 HydrophobicContact CD2-CD1 4.22Å; F570-L980 HydrophobicContact CE2-CD1 4Å; F570-L980 HydrophobicContact CE2-CD2 4.45Å; L582-L980 HydrophobicContact CD2-CD1 4.5Å; L591-L980 HydrophobicContact CD2-CD2 4.07Å; S976-L980 PolarHBondContact O-N 3.35Å; S976-L980 VanDerWaalsContact O-N 3.07Å; S977-L980 PolarHBondContact O-N 3.32Å; D978-L980 VanDerWaalsContact C-N 3.34Å; D978-L980 PolarHBondContact O-N 3.37Å; L980-W983 HydrophobicContact CD1-CE3 3.66Å; L980-W983 HydrophobicContact CD1-CZ3 4.1Å; L980-W983 PolarHBondContact O-N 3.43Å; L980-S984 PolarHBondContact O-N 2.84Å; L980-Y1006 HydrophobicContact CB-CD2 4.07Å; L980-Y1006 HydrophobicContact CB-CE2 3.89Å; L980-Y1006 HydrophobicContact CD2-CE2 4.2Å; L980-Y1006 HydrophobicContact CG-CE2 4.46Å |
| 981 | A | 89.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -48.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F588 S977 D978 W983 S984 E985 L1221 | F588-A981 HydrophobicContact CE2-CB 4.46Å; F588-A981 HydrophobicContact CZ-CB 3.88Å; S977-A981 PolarHBondContact O-N 3.06Å; D978-A981 PolarHBondContact O-N 3.16Å; A981-W983 PolarHBondContact O-N 3.45Å; A981-S984 PolarHBondContact O-N 3.29Å; A981-S984 PolarHBondContact O-OG 2.93Å; A981-E985 PolarHBondContact O-N 3.01Å; A981-L1221 HydrophobicContact CB-CB 4.3Å; A981-L1221 HydrophobicContact CB-CD2 4.08Å |
| 982 | R | 88.7 | Confident | 85.6 | Confident | 125 Ų | 125 | 49.6 Ų | 49.6 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65 | -37.8 | 176.9 | -64.4 | -178.6 | -164.7 | -161.2 | 6.1 | 112.6 | D978 S984 E985 D986 | D978-R982 WeakPolarHBondContact O-CG 3.36Å; D978-R982 PolarHBondContact O-N 3.37Å; D978-R982 IonicContact OD1-NE 3.27Å; D978-R982 IonicContact OD1-NH2 2.63Å; D978-R982 IonicContact OD2-CZ 3.88Å; D978-R982 IonicContact OD2-NE 2.8Å; D978-R982 PolarHBondContact OD2-NE 2.69Å; D978-R982 IonicContact OD2-NH2 3.02Å; D978-R982 PolarHBondContact OD2-NH2 3.21Å; R982-S984 VanDerWaalsContact C-N 3.3Å; R982-S984 PolarHBondContact O-N 3.34Å; R982-E985 PolarHBondContact O-N 3.36Å; R982-D986 PolarHBondContact O-N 3.35Å |
| 983 | W | 89.8 | Confident | 84.7 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 174.9 | -179.2 | 20.9 | 0 | 0 | 0 | 111.6 | F570 L574 L582 W979 L980 A981 E985 D986 R1002 I1003 | F570-W983 HydrophobicContact CB-CH2 3.79Å; F570-W983 HydrophobicContact CB-CZ3 4.23Å; F570-W983 HydrophobicContact CD2-CZ3 4.19Å; L574-W983 HydrophobicContact CD1-CH2 4.18Å; L574-W983 HydrophobicContact CD1-CZ2 3.34Å; L582-W983 HydrophobicContact CD2-CD2 3.59Å; L582-W983 HydrophobicContact CD2-CE3 3.71Å; L582-W983 HydrophobicContact CD2-CG 4.21Å; L582-W983 HydrophobicContact CD2-CH2 3.95Å; L582-W983 HydrophobicContact CD2-CZ2 3.87Å; L582-W983 HydrophobicContact CD2-CZ3 3.87Å; W979-W983 WeakPolarHBondContact O-CB 3.4Å; W979-W983 PolarHBondContact O-N 2.82Å; L980-W983 HydrophobicContact CD1-CE3 3.66Å; L980-W983 HydrophobicContact CD1-CZ3 4.1Å; L980-W983 PolarHBondContact O-N 3.43Å; A981-W983 PolarHBondContact O-N 3.45Å; W983-E985 PolarHBondContact O-N 2.8Å; W983-D986 WeakPolarHBondContact O-CB 3.29Å; W983-D986 PolarHBondContact O-N 2.72Å; W983-R1002 HydrophobicContact CB-CB 4.27Å; W983-R1002 HydrophobicContact CB-CG 4.25Å; W983-R1002 VanDerWaalsContact CD1-CB 3.48Å; W983-R1002 HydrophobicContact CD2-CB 3.83Å; W983-R1002 HydrophobicContact CG-CB 3.61Å; W983-R1002 HydrophobicContact CG-CG 3.89Å; W983-I1003 HydrophobicContact CH2-CG1 3.6Å; W983-I1003 HydrophobicContact CZ2-CD1 4.3Å; W983-I1003 HydrophobicContact CZ2-CG1 3.5Å |
| 984 | S | 89.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.6 | -22.9 | 178.8 | 73.1 | 0 | 0 | 0 | 0 | 113.8 | L582 P584 L980 A981 R982 | L582-S984 CarbonylContact O-C 3.55Å; L582-S984 VanDerWaalsContact O-CA 3.26Å; L582-S984 WeakPolarHBondContact O-CA 3.46Å; L582-S984 VanDerWaalsContact O-O 3.07Å; P584-S984 VanDerWaalsContact CD-O 3.24Å; P584-S984 WeakPolarHBondContact CD-O 3.43Å; L980-S984 PolarHBondContact O-N 2.84Å; A981-S984 PolarHBondContact O-N 3.29Å; A981-S984 PolarHBondContact O-OG 2.93Å; R982-S984 VanDerWaalsContact C-N 3.3Å; R982-S984 PolarHBondContact O-N 3.34Å |
| 985 | E | 85.8 | Confident | 83.3 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -82.6 | -19.9 | 178 | -72.5 | 167.7 | -153.1 | 0 | 0 | 113.2 | A981 R982 W983 A987 L988 S1215 G1217 | A981-E985 PolarHBondContact O-N 3.01Å; R982-E985 PolarHBondContact O-N 3.36Å; W983-E985 PolarHBondContact O-N 2.8Å; E985-A987 PolarHBondContact O-N 2.81Å; E985-L988 WeakPolarHBondContact O-CB 3.45Å; E985-L988 PolarHBondContact O-N 3.23Å; E985-S1215 WeakPolarHBondContact OE1-CB 3.43Å; E985-S1215 PolarHBondContact OE1-OG 3.03Å; E985-S1215 WeakPolarHBondContact OE2-CB 3.48Å; E985-S1215 PolarHBondContact OE2-OG 3.35Å; E985-G1217 WeakPolarHBondContact OE1-CA 3.47Å; E985-G1217 PolarHBondContact OE1-N 3.43Å |
| 986 | D | 85.3 | Confident | 82.7 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 6% | 0.059 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -61 | -27.1 | 179.2 | -67.2 | -25.6 | 0 | 0 | 0 | 111.6 | R982 W983 L988 L989 Y996 R1002 | R982-D986 PolarHBondContact O-N 3.35Å; W983-D986 WeakPolarHBondContact O-CB 3.29Å; W983-D986 PolarHBondContact O-N 2.72Å; D986-L988 VanDerWaalsContact C-N 3.26Å; D986-L988 PolarHBondContact O-N 3Å; D986-L989 PolarHBondContact O-N 3.07Å; D986-Y996 HydrophobicContact CB-CD2 4.18Å; D986-Y996 HydrophobicContact CB-CE2 4.34Å; D986-R1002 IonicContact OD1-CZ 2.73Å; D986-R1002 IonicContact OD1-NH2 3.89Å; D986-R1002 PolarHBondContact OD1-NH2 3.36Å; D986-R1002 IonicContact OD2-CZ 3.59Å; D986-R1002 VanDerWaalsContact OD2-CZ 3.23Å; D986-R1002 IonicContact OD2-NE 3.65Å; D986-R1002 PolarHBondContact OD2-NE 2.99Å; D986-R1002 IonicContact OD2-NH2 3.17Å; D986-R1002 PolarHBondContact OD2-NH2 2.8Å |
| 987 | A | 79.6 | Confident | 82.2 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 21% | 0.207 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -65.2 | -25.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E581 T583 E985 L989 | E581-A987 HydrophobicContact CB-CB 3.88Å; T583-A987 HydrophobicContact CG2-CB 4.33Å; E985-A987 PolarHBondContact O-N 2.81Å; A987-L989 VanDerWaalsContact C-N 3.33Å |
| 988 | L | 75.4 | Confident | 81.9 | Confident | 99 Ų | 99 | 65.7 Ų | 65.7 | 52% | 0.518 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -87.6 | -6.6 | 177.7 | -57.8 | 175.1 | 0 | 0 | 0 | 112.2 | P584 E985 D986 | P584-L988 HydrophobicContact CG-CD1 4.17Å; E985-L988 WeakPolarHBondContact O-CB 3.45Å; E985-L988 PolarHBondContact O-N 3.23Å; D986-L988 VanDerWaalsContact C-N 3.26Å; D986-L988 PolarHBondContact O-N 3Å |
| 989 | L | 78.6 | Confident | 81.6 | Confident | 44 Ų | 44 | 65.6 Ų | 65.6 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -99.9 | 146.3 | -178.2 | -60.9 | 177.3 | 0 | 0 | 0 | 111 | D986 A987 D993 R995 | D986-L989 PolarHBondContact O-N 3.07Å; A987-L989 VanDerWaalsContact C-N 3.33Å; L989-D993 HydrophobicContact CB-CB 4.4Å; L989-R995 HydrophobicContact CD1-CB 3.87Å |
| 990 | S | 73.2 | Confident | 81.3 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 56% | 0.559 | 35% | 0.347 | S | S | * | . | trans | -67.1 | 142 | 168.4 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | N992 D993 | S990-N992 PolarHBondContact O-N 3.21Å; S990-D993 VanDerWaalsContact O-CB 3.24Å; S990-D993 WeakPolarHBondContact O-CB 3.21Å; S990-D993 PolarHBondContact O-N 3.45Å | ||
| 991 | K | 73.6 | Confident | 81.2 | Confident | 156 Ų | 156 | 70.7 Ų | 70.7 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -19.9 | 175.2 | -70.5 | -176.4 | 177.5 | 177.6 | 0 | 114.1 | Y996 | K991-Y996 HydrophobicContact CG-CE2 4.32Š|
| 992 | N | 72.8 | Confident | 81.1 | Confident | 157 Ų | 157 | 71.5 Ų | 71.5 | 84% | 0.84 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -5.6 | 176.2 | -70.1 | -8.3 | 0 | 0 | 0 | 113.6 | S990 | S990-N992 PolarHBondContact O-N 3.21Š|
| 993 | D | 74.6 | Confident | 81.1 | Confident | 41 Ų | 41 | 66.7 Ų | 66.7 | 22% | 0.219 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -72.2 | 130.4 | 177.5 | -165.9 | -30.7 | 0 | 0 | 0 | 109.8 | L989 S990 R995 Y996 | L989-D993 HydrophobicContact CB-CB 4.4Å; S990-D993 VanDerWaalsContact O-CB 3.24Å; S990-D993 WeakPolarHBondContact O-CB 3.21Å; S990-D993 PolarHBondContact O-N 3.45Å; D993-R995 PolarHBondContact O-N 3.2Å; D993-R995 PolarHBondContact OD1-N 3.47Å; D993-R995 IonicContact OD1-NE 3.9Å; D993-R995 PolarHBondContact OD1-NE 3.04Å; D993-R995 IonicContact OD2-CZ 2.89Å; D993-R995 IonicContact OD2-NE 2.87Å; D993-R995 PolarHBondContact OD2-NE 3.13Å; D993-R995 IonicContact OD2-NH2 2.92Å; D993-R995 PolarHBondContact OD2-NH2 3.2Å; D993-Y996 VanDerWaalsContact O-CB 3.3Å; D993-Y996 WeakPolarHBondContact O-CB 3.17Å; D993-Y996 PolarHBondContact O-N 3.37Å |
| 994 | S | 75.9 | Confident | 81 | Confident | 120 Ų | 120 | 68.4 Ų | 68.4 | 84% | 0.839 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -21.3 | 174.3 | 60 | 0 | 0 | 0 | 0 | 114.6 | ||
| 995 | R | 74.3 | Confident | 81 | Confident | 158 Ų | 158 | 69.3 Ų | 69.3 | 60% | 0.596 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -15.6 | 178.8 | -65.2 | 175.8 | -68.8 | 173.3 | 1.8 | 113.4 | L989 D993 | L989-R995 HydrophobicContact CD1-CB 3.87Å; D993-R995 PolarHBondContact O-N 3.2Å; D993-R995 PolarHBondContact OD1-N 3.47Å; D993-R995 IonicContact OD1-NE 3.9Å; D993-R995 PolarHBondContact OD1-NE 3.04Å; D993-R995 IonicContact OD2-CZ 2.89Å; D993-R995 IonicContact OD2-NE 2.87Å; D993-R995 PolarHBondContact OD2-NE 3.13Å; D993-R995 IonicContact OD2-NH2 2.92Å; D993-R995 PolarHBondContact OD2-NH2 3.2Å |
| 996 | Y | 79.8 | Confident | 81.2 | Confident | 65 Ų | 65 | 68 Ų | 68 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | trans | -70 | 128.4 | 179.3 | -177.1 | -89.7 | 0 | 0 | 0 | 110.3 | D986 K991 D993 | D986-Y996 HydrophobicContact CB-CD2 4.18Å; D986-Y996 HydrophobicContact CB-CE2 4.34Å; K991-Y996 HydrophobicContact CG-CE2 4.32Å; D993-Y996 VanDerWaalsContact O-CB 3.3Å; D993-Y996 WeakPolarHBondContact O-CB 3.17Å; D993-Y996 PolarHBondContact O-N 3.37Å | ||
| 997 | V | 81.3 | Confident | 81.4 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 30% | 0.297 | 38% | 0.384 | S | S | . | . | trans | -118.9 | 136.5 | -178.8 | 172.9 | 0 | 0 | 0 | 0 | 108.8 | T999 T1001 R1002 | V997-T999 PolarHBondContact O-N 3.08Å; V997-T1001 WeakPolarHBondContact CG1-OG1 3.36Å; V997-R1002 HydrophobicContact CB-CG 4.37Å; V997-R1002 HydrophobicContact CG1-CG 4.04Å | ||
| 998 | D | 82 | Confident | 82 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 47% | 0.465 | 39% | 0.393 | S | S | . | . | trans | -60.5 | 137.2 | -173.6 | -170.2 | 31.1 | 0 | 0 | 0 | 112.5 | N1000 T1001 R1002 | D998-N1000 PolarHBondContact O-N 3.36Å; D998-N1000 VanDerWaalsContact O-N 3.13Å; D998-T1001 HydrophobicContact CB-CG2 4.42Å; D998-T1001 PolarHBondContact O-N 3.22Å; D998-T1001 PolarHBondContact O-OG1 3.11Å; D998-R1002 PolarHBondContact O-N 3.38Å | ||
| 999 | T | 82.5 | Confident | 82.8 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 23% | 0.233 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -54.6 | -39.5 | -171.6 | -58 | 0 | 0 | 0 | 0 | 112.3 | L574 V997 T1001 R1002 I1003 | L574-T999 HydrophobicContact CB-CG2 4.49Å; L574-T999 HydrophobicContact CD1-CG2 3.74Å; V997-T999 PolarHBondContact O-N 3.08Å; T999-T1001 VanDerWaalsContact C-N 3.3Å; T999-T1001 PolarHBondContact O-N 2.96Å; T999-R1002 PolarHBondContact O-N 3.26Å; T999-I1003 HydrophobicContact CG2-CD1 3.89Å; T999-I1003 HydrophobicContact CG2-CG1 4.43Å; T999-I1003 WeakPolarHBondContact O-CG1 3.2Å; T999-I1003 PolarHBondContact O-N 3.27Å |
| 1000 | N | 85.1 | Confident | 83.3 | Confident | 108 Ų | 108 | 65.2 Ų | 65.2 | 58% | 0.578 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.2 | -37.5 | 178.5 | -69.8 | -33.1 | 0 | 0 | 0 | 112.4 | D998 G1004 | D998-N1000 PolarHBondContact O-N 3.36Å; D998-N1000 VanDerWaalsContact O-N 3.13Å; N1000-G1004 PolarHBondContact O-N 2.84Å |
| 1001 | T | 88.3 | Confident | 84 | Confident | 73 Ų | 73 | 66.3 Ų | 66.3 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.1 | -34 | 178.2 | 66.5 | 0 | 0 | 0 | 0 | 111.8 | V997 D998 T999 G1005 | V997-T1001 WeakPolarHBondContact CG1-OG1 3.36Å; D998-T1001 HydrophobicContact CB-CG2 4.42Å; D998-T1001 PolarHBondContact O-N 3.22Å; D998-T1001 PolarHBondContact O-OG1 3.11Å; T999-T1001 VanDerWaalsContact C-N 3.3Å; T999-T1001 PolarHBondContact O-N 2.96Å; T1001-G1005 PolarHBondContact O-N 3.48Å |
| 1002 | R | 88.2 | Confident | 84.9 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 6% | 0.064 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.7 | -47.1 | 173.8 | -68.8 | -64.5 | -159.6 | -176.9 | -0.5 | 112.1 | W979 W983 D986 V997 D998 T999 G1005 Y1006 | W979-R1002 PolarHBondContact NE1-O 3.32Å; W979-R1002 VanDerWaalsContact NE1-O 3.09Å; W983-R1002 HydrophobicContact CB-CB 4.27Å; W983-R1002 HydrophobicContact CB-CG 4.25Å; W983-R1002 VanDerWaalsContact CD1-CB 3.48Å; W983-R1002 HydrophobicContact CD2-CB 3.83Å; W983-R1002 HydrophobicContact CG-CB 3.61Å; W983-R1002 HydrophobicContact CG-CG 3.89Å; D986-R1002 IonicContact OD1-CZ 2.73Å; D986-R1002 IonicContact OD1-NH2 3.89Å; D986-R1002 PolarHBondContact OD1-NH2 3.36Å; D986-R1002 IonicContact OD2-CZ 3.59Å; D986-R1002 VanDerWaalsContact OD2-CZ 3.23Å; D986-R1002 IonicContact OD2-NE 3.65Å; D986-R1002 PolarHBondContact OD2-NE 2.99Å; D986-R1002 IonicContact OD2-NH2 3.17Å; D986-R1002 PolarHBondContact OD2-NH2 2.8Å; V997-R1002 HydrophobicContact CB-CG 4.37Å; V997-R1002 HydrophobicContact CG1-CG 4.04Å; D998-R1002 PolarHBondContact O-N 3.38Å; T999-R1002 PolarHBondContact O-N 3.26Å; R1002-G1005 PolarHBondContact O-N 3.34Å; R1002-Y1006 WeakPolarHBondContact O-CB 3.3Å; R1002-Y1006 PolarHBondContact O-N 2.97Å |
| 1003 | I | 87.2 | Confident | 85.8 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 13% | 0.128 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.6 | -49.8 | 175.3 | -67.2 | 168.4 | 0 | 0 | 0 | 110.1 | V567 A571 W983 T999 G1005 Y1006 A1007 | V567-I1003 HydrophobicContact CG1-CG2 4.22Å; A571-I1003 HydrophobicContact CB-CD1 4.02Å; A571-I1003 HydrophobicContact CB-CG2 4.47Å; W983-I1003 HydrophobicContact CH2-CG1 3.6Å; W983-I1003 HydrophobicContact CZ2-CD1 4.3Å; W983-I1003 HydrophobicContact CZ2-CG1 3.5Å; T999-I1003 HydrophobicContact CG2-CD1 3.89Å; T999-I1003 HydrophobicContact CG2-CG1 4.43Å; T999-I1003 WeakPolarHBondContact O-CG1 3.2Å; T999-I1003 PolarHBondContact O-N 3.27Å; I1003-G1005 PolarHBondContact O-N 2.76Å; I1003-Y1006 PolarHBondContact O-N 3.38Å; I1003-A1007 VanDerWaalsContact O-CB 3.31Å; I1003-A1007 WeakPolarHBondContact O-CB 3.34Å; I1003-A1007 PolarHBondContact O-N 2.85Å |
| 1004 | G | 88.5 | Confident | 86.4 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1000 G1008 | N1000-G1004 PolarHBondContact O-N 2.84Å; G1004-G1008 PolarHBondContact O-N 2.88Å |
| 1005 | G | 89.8 | Confident | 87.2 | Confident | 19 Ų | 19 | 51 Ų | 51 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -49.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1001 R1002 I1003 A1007 G1008 F1009 | T1001-G1005 PolarHBondContact O-N 3.48Å; R1002-G1005 PolarHBondContact O-N 3.34Å; I1003-G1005 PolarHBondContact O-N 2.76Å; G1005-A1007 PolarHBondContact O-N 3.29Å; G1005-G1008 PolarHBondContact O-N 2.74Å; G1005-F1009 WeakPolarHBondContact O-CD2 3.42Å; G1005-F1009 WeakPolarHBondContact O-CG 3.27Å; G1005-F1009 PolarHBondContact O-N 3.38Å |
| 1006 | Y | 89.8 | Confident | 88 | Confident | 13 Ų | 13 | 47 Ų | 47 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 179.1 | -176.5 | -112 | 0 | 0 | 0 | 111.8 | A566 V567 S976 L980 R1002 I1003 G1010 | A566-Y1006 HydrophobicContact CB-CE1 3.89Å; V567-Y1006 HydrophobicContact CG2-CD1 3.39Å; V567-Y1006 HydrophobicContact CG2-CE1 3.74Å; S976-Y1006 WeakPolarHBondContact O-CD2 3.36Å; S976-Y1006 WeakPolarHBondContact O-CE2 3.46Å; S976-Y1006 WeakPolarHBondContact OG-CD2 3.3Å; S976-Y1006 WeakPolarHBondContact OG-CE2 3.45Å; L980-Y1006 HydrophobicContact CB-CD2 4.07Å; L980-Y1006 HydrophobicContact CB-CE2 3.89Å; L980-Y1006 HydrophobicContact CD2-CE2 4.2Å; L980-Y1006 HydrophobicContact CG-CE2 4.46Å; R1002-Y1006 WeakPolarHBondContact O-CB 3.3Å; R1002-Y1006 PolarHBondContact O-N 2.97Å; I1003-Y1006 PolarHBondContact O-N 3.38Å; Y1006-G1010 PolarHBondContact O-N 3.42Å |
| 1007 | A | 89 | Confident | 88.4 | Confident | 25 Ų | 25 | 45 Ų | 45 | 21% | 0.207 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V567 I1003 G1005 G1010 I1011 | V567-A1007 HydrophobicContact CG1-CB 4.27Å; V567-A1007 HydrophobicContact CG2-CB 3.9Å; I1003-A1007 VanDerWaalsContact O-CB 3.31Å; I1003-A1007 WeakPolarHBondContact O-CB 3.34Å; I1003-A1007 PolarHBondContact O-N 2.85Å; G1005-A1007 PolarHBondContact O-N 3.29Å; A1007-G1010 PolarHBondContact O-N 3.32Å; A1007-I1011 VanDerWaalsContact O-CG1 3.3Å; A1007-I1011 WeakPolarHBondContact O-CG1 3.35Å; A1007-I1011 PolarHBondContact O-N 3.42Å |
| 1008 | G | 91.6 | Very high | 88.9 | Confident | 38 Ų | 38 | 45.1 Ų | 45.1 | 39% | 0.392 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1004 G1005 I1011 A1012 | G1004-G1008 PolarHBondContact O-N 2.88Å; G1005-G1008 PolarHBondContact O-N 2.74Å; G1008-I1011 PolarHBondContact O-N 2.87Å; G1008-A1012 WeakPolarHBondContact O-CB 3.41Å; G1008-A1012 PolarHBondContact O-N 3.03Å |
| 1009 | F | 92.3 | Very high | 89.3 | Confident | 54 Ų | 54 | 43.6 Ų | 43.6 | 24% | 0.237 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 177 | -64.8 | -51.9 | 0 | 0 | 0 | 112.7 | F972 V975 W979 G1005 A1012 Q1013 | F972-F1009 AromaticContact CD1-CD1 3.86Å; F972-F1009 HydrophobicContact CD1-CD1 3.86Å; F972-F1009 HydrophobicContact CE1-CD1 4.03Å; V975-F1009 HydrophobicContact CG1-CD1 3.99Å; V975-F1009 HydrophobicContact CG1-CD2 3.98Å; V975-F1009 HydrophobicContact CG1-CE1 3.79Å; V975-F1009 HydrophobicContact CG1-CE2 3.8Å; V975-F1009 HydrophobicContact CG1-CG 4.09Å; V975-F1009 HydrophobicContact CG1-CZ 3.7Å; W979-F1009 HydrophobicContact CB-CD2 4.48Å; W979-F1009 HydrophobicContact CD2-CD2 4.44Å; W979-F1009 AromaticContact CD2-CE2 3.89Å; W979-F1009 HydrophobicContact CD2-CE2 3.89Å; W979-F1009 AromaticContact CE3-CE2 3.78Å; W979-F1009 HydrophobicContact CE3-CE2 3.78Å; W979-F1009 HydrophobicContact CG-CD2 4.36Å; W979-F1009 HydrophobicContact CG-CE2 4.27Å; W979-F1009 HydrophobicContact CZ3-CE2 4.25Å; G1005-F1009 WeakPolarHBondContact O-CD2 3.42Å; G1005-F1009 WeakPolarHBondContact O-CG 3.27Å; G1005-F1009 PolarHBondContact O-N 3.38Å; F1009-A1012 PolarHBondContact O-N 2.78Å; F1009-Q1013 WeakPolarHBondContact O-CB 3.45Å; F1009-Q1013 PolarHBondContact O-N 3.49Å |
| 1010 | G | 88.8 | Confident | 89.7 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1006 A1007 Q1013 A1014 | Y1006-G1010 PolarHBondContact O-N 3.42Å; A1007-G1010 PolarHBondContact O-N 3.32Å; G1010-Q1013 WeakPolarHBondContact O-CB 3.46Å; G1010-A1014 PolarHBondContact O-N 3.43Å; G1010-A1014 VanDerWaalsContact O-N 3.12Å |
| 1011 | I | 89.5 | Confident | 89.9 | Confident | 103 Ų | 103 | 36.7 Ų | 36.7 | 53% | 0.528 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.7 | -43 | 174.9 | -67.8 | 166.8 | 0 | 0 | 0 | 110.6 | A1007 G1008 A1014 F1015 | A1007-I1011 VanDerWaalsContact O-CG1 3.3Å; A1007-I1011 WeakPolarHBondContact O-CG1 3.35Å; A1007-I1011 PolarHBondContact O-N 3.42Å; G1008-I1011 PolarHBondContact O-N 2.87Å; I1011-A1014 PolarHBondContact O-N 2.85Å; I1011-F1015 WeakPolarHBondContact O-CB 3.47Å; I1011-F1015 PolarHBondContact O-N 3.14Å |
| 1012 | A | 91.2 | Very high | 90 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F972 G1008 F1009 A1014 F1015 F1016 | F972-A1012 HydrophobicContact CD1-CB 3.99Å; F972-A1012 HydrophobicContact CD2-CB 4.29Å; F972-A1012 HydrophobicContact CE1-CB 3.9Å; F972-A1012 HydrophobicContact CE2-CB 4.21Å; F972-A1012 HydrophobicContact CG-CB 4.2Å; F972-A1012 HydrophobicContact CZ-CB 4.01Å; G1008-A1012 WeakPolarHBondContact O-CB 3.41Å; G1008-A1012 PolarHBondContact O-N 3.03Å; F1009-A1012 PolarHBondContact O-N 2.78Å; A1012-A1014 VanDerWaalsContact C-N 3.32Å; A1012-A1014 PolarHBondContact O-N 3.31Å; A1012-F1015 PolarHBondContact O-N 3.14Å; A1012-F1016 VanDerWaalsContact O-CD2 3.23Å; A1012-F1016 WeakPolarHBondContact O-CD2 3.46Å; A1012-F1016 PolarHBondContact O-N 2.99Å |
| 1013 | Q | 91.3 | Very high | 90.3 | Very high | 23 Ų | 23 | 36.5 Ų | 36.5 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -50.9 | -52.2 | 174.4 | 177.4 | -163 | -0.4 | 0 | 0 | 111.1 | T969 F972 T973 F1009 G1010 M1017 | T969-Q1013 HydrophobicContact CG2-CG 3.9Å; T969-Q1013 PolarHBondContact OG1-O 2.85Å; F972-Q1013 HydrophobicContact CB-CB 3.88Å; T973-Q1013 VanDerWaalsContact OG1-CD 3.3Å; T973-Q1013 WeakPolarHBondContact OG1-CG 3.33Å; T973-Q1013 PolarHBondContact OG1-NE2 3.48Å; F1009-Q1013 WeakPolarHBondContact O-CB 3.45Å; F1009-Q1013 PolarHBondContact O-N 3.49Å; G1010-Q1013 WeakPolarHBondContact O-CB 3.46Å; Q1013-M1017 WeakPolarHBondContact O-CB 3.35Å; Q1013-M1017 PolarHBondContact O-N 3.14Å; Q1013-M1017 VanDerWaalsContact O-N 3.08Å |
| 1014 | A | 88.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.1 | -38.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F556 T559 V560 G1010 I1011 A1012 M1017 F1018 | F556-A1014 HydrophobicContact CD2-CB 3.88Å; F556-A1014 WeakPolarHBondContact CD2-O 3.3Å; F556-A1014 HydrophobicContact CE2-CB 3.71Å; T559-A1014 HydrophobicContact CG2-CB 4.02Å; V560-A1014 HydrophobicContact CB-CB 4.35Å; V560-A1014 HydrophobicContact CG2-CB 3.25Å; G1010-A1014 PolarHBondContact O-N 3.43Å; G1010-A1014 VanDerWaalsContact O-N 3.12Å; I1011-A1014 PolarHBondContact O-N 2.85Å; A1012-A1014 VanDerWaalsContact C-N 3.32Å; A1012-A1014 PolarHBondContact O-N 3.31Å; A1014-M1017 PolarHBondContact O-N 3.4Å; A1014-F1018 WeakPolarHBondContact O-CB 3.35Å; A1014-F1018 PolarHBondContact O-N 2.9Å |
| 1015 | F | 91.3 | Very high | 90.5 | Very high | 109 Ų | 109 | 34.8 Ų | 34.8 | 48% | 0.478 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.6 | -50.3 | 177.1 | 177 | -99.4 | 0 | 0 | 0 | 111.8 | I1011 A1012 M1017 F1018 V1019 | I1011-F1015 WeakPolarHBondContact O-CB 3.47Å; I1011-F1015 PolarHBondContact O-N 3.14Å; A1012-F1015 PolarHBondContact O-N 3.14Å; F1015-M1017 VanDerWaalsContact C-N 3.28Å; F1015-M1017 PolarHBondContact O-N 3.03Å; F1015-F1018 WeakPolarHBondContact O-CB 3.34Å; F1015-F1018 PolarHBondContact O-N 2.91Å; F1015-V1019 HydrophobicContact CD1-CG2 4.42Å; F1015-V1019 HydrophobicContact CE1-CG2 4.01Å; F1015-V1019 HydrophobicContact CE2-CG2 4.25Å; F1015-V1019 HydrophobicContact CZ-CG2 3.92Å; F1015-V1019 WeakPolarHBondContact O-CG2 2.93Å; F1015-V1019 PolarHBondContact O-N 2.97Å |
| 1016 | F | 91.6 | Very high | 90.6 | Very high | 72 Ų | 72 | 37.8 Ų | 37.8 | 32% | 0.316 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.3 | -34.7 | 177.3 | -77.4 | -73.1 | 0 | 0 | 0 | 112.1 | V968 F972 A1012 V1019 G1020 | V968-F1016 HydrophobicContact CB-CG 4.5Å; V968-F1016 HydrophobicContact CG1-CB 4.19Å; V968-F1016 HydrophobicContact CG1-CD1 3.89Å; V968-F1016 HydrophobicContact CG1-CD2 3.72Å; V968-F1016 HydrophobicContact CG1-CE1 4.18Å; V968-F1016 HydrophobicContact CG1-CE2 4.05Å; V968-F1016 HydrophobicContact CG1-CG 3.65Å; V968-F1016 HydrophobicContact CG1-CZ 4.26Å; F972-F1016 AromaticContact CD2-CD2 3.84Å; F972-F1016 HydrophobicContact CD2-CD2 3.84Å; F972-F1016 HydrophobicContact CD2-CE2 4.24Å; F972-F1016 AromaticContact CE2-CD2 3.46Å; F972-F1016 HydrophobicContact CE2-CD2 3.46Å; F972-F1016 VanDerWaalsContact CE2-CD2 3.46Å; F972-F1016 AromaticContact CE2-CE2 3.4Å; F972-F1016 HydrophobicContact CE2-CE2 3.4Å; F972-F1016 HydrophobicContact CE2-CZ 4.41Å; F972-F1016 HydrophobicContact CZ-CD2 4.45Å; F972-F1016 HydrophobicContact CZ-CE2 4.05Å; A1012-F1016 VanDerWaalsContact O-CD2 3.23Å; A1012-F1016 WeakPolarHBondContact O-CD2 3.46Å; A1012-F1016 PolarHBondContact O-N 2.99Å; F1016-V1019 PolarHBondContact O-N 3.46Å; F1016-G1020 PolarHBondContact O-N 2.79Å |
| 1017 | M | 88.9 | Confident | 90.8 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 174.6 | -166.3 | -174.9 | -68.1 | 0 | 0 | 111.3 | T555 T559 Y966 T969 Q1013 A1014 F1015 G1020 A1021 | T555-M1017 HydrophobicContact CG2-SD 4.43Å; T559-M1017 HydrophobicContact CG2-CB 4.49Å; T559-M1017 HydrophobicContact CG2-CE 3.49Å; T559-M1017 VanDerWaalsContact CG2-CE 3.49Å; T559-M1017 HydrophobicContact CG2-SD 3.63Å; T559-M1017 PolarHBondContact OG1-SD 3.4Å; Y966-M1017 HydrophobicContact CE1-CG 4.46Å; T969-M1017 HydrophobicContact CG2-CB 3.9Å; T969-M1017 HydrophobicContact CG2-CE 3.47Å; T969-M1017 VanDerWaalsContact CG2-CE 3.47Å; T969-M1017 HydrophobicContact CG2-CG 4.3Å; T969-M1017 WeakPolarHBondContact OG1-CA 3.5Å; T969-M1017 PolarHBondContact OG1-N 3.24Å; Q1013-M1017 WeakPolarHBondContact O-CB 3.35Å; Q1013-M1017 PolarHBondContact O-N 3.14Å; Q1013-M1017 VanDerWaalsContact O-N 3.08Å; A1014-M1017 PolarHBondContact O-N 3.4Å; F1015-M1017 VanDerWaalsContact C-N 3.28Å; F1015-M1017 PolarHBondContact O-N 3.03Å; M1017-G1020 PolarHBondContact O-N 2.68Å; M1017-A1021 WeakPolarHBondContact O-CB 3.13Å; M1017-A1021 PolarHBondContact O-N 2.89Å |
| 1018 | F | 90.6 | Very high | 90.9 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 23% | 0.232 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.7 | 173.6 | -107.4 | 0 | 0 | 0 | 112.1 | S552 F556 A1014 F1015 G1020 A1021 L1022 | S552-F1018 WeakPolarHBondContact O-CD2 3.21Å; F556-F1018 HydrophobicContact CB-CB 4.02Å; F556-F1018 HydrophobicContact CB-CD2 3.73Å; F556-F1018 HydrophobicContact CB-CG 4.15Å; F556-F1018 HydrophobicContact CD2-CB 3.75Å; F556-F1018 HydrophobicContact CD2-CG 4.3Å; F556-F1018 HydrophobicContact CG-CB 4.2Å; F556-F1018 HydrophobicContact CG-CD2 4.35Å; F556-F1018 HydrophobicContact CG-CG 4.38Å; A1014-F1018 WeakPolarHBondContact O-CB 3.35Å; A1014-F1018 PolarHBondContact O-N 2.9Å; F1015-F1018 WeakPolarHBondContact O-CB 3.34Å; F1015-F1018 PolarHBondContact O-N 2.91Å; F1018-G1020 PolarHBondContact O-N 3.21Å; F1018-A1021 PolarHBondContact O-N 3.44Å; F1018-L1022 HydrophobicContact CE1-CD1 4.07Å; F1018-L1022 HydrophobicContact CE2-CD1 4.4Å; F1018-L1022 HydrophobicContact CZ-CD1 3.76Å; F1018-L1022 VanDerWaalsContact O-CB 3.28Å; F1018-L1022 WeakPolarHBondContact O-CB 3.18Å; F1018-L1022 PolarHBondContact O-N 2.94Å |
| 1019 | V | 91.4 | Very high | 91 | Very high | 54 Ų | 54 | 35.7 Ų | 35.7 | 33% | 0.327 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.8 | -46 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | F1015 F1016 A1021 L1022 V1023 | F1015-V1019 HydrophobicContact CD1-CG2 4.42Å; F1015-V1019 HydrophobicContact CE1-CG2 4.01Å; F1015-V1019 HydrophobicContact CE2-CG2 4.25Å; F1015-V1019 HydrophobicContact CZ-CG2 3.92Å; F1015-V1019 WeakPolarHBondContact O-CG2 2.93Å; F1015-V1019 PolarHBondContact O-N 2.97Å; F1016-V1019 PolarHBondContact O-N 3.46Å; V1019-A1021 PolarHBondContact O-N 3.26Å; V1019-L1022 PolarHBondContact O-N 3.29Å; V1019-V1023 HydrophobicContact CG1-CG2 4.32Å; V1019-V1023 WeakPolarHBondContact O-CB 3.19Å; V1019-V1023 VanDerWaalsContact O-CG2 3.27Å; V1019-V1023 WeakPolarHBondContact O-CG2 3.4Å; V1019-V1023 PolarHBondContact O-N 3.43Å |
| 1020 | G | 91.2 | Very high | 91 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1016 M1017 F1018 M1024 | F1016-G1020 PolarHBondContact O-N 2.79Å; M1017-G1020 PolarHBondContact O-N 2.68Å; F1018-G1020 PolarHBondContact O-N 3.21Å; G1020-M1024 VanDerWaalsContact O-CB 3.24Å; G1020-M1024 WeakPolarHBondContact O-CB 3.32Å; G1020-M1024 PolarHBondContact O-N 3.4Å |
| 1021 | A | 88.7 | Confident | 91.2 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1017 F1018 V1019 M1024 A1025 | M1017-A1021 WeakPolarHBondContact O-CB 3.13Å; M1017-A1021 PolarHBondContact O-N 2.89Å; F1018-A1021 PolarHBondContact O-N 3.44Å; V1019-A1021 PolarHBondContact O-N 3.26Å; A1021-M1024 PolarHBondContact O-N 3.24Å; A1021-A1025 WeakPolarHBondContact O-CB 3.48Å; A1021-A1025 PolarHBondContact O-N 3.28Å |
| 1022 | L | 91.1 | Very high | 91.4 | Very high | 41 Ų | 41 | 29.5 Ų | 29.5 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.7 | -45.2 | -179 | -177.5 | 152.4 | 0 | 0 | 0 | 112 | F1018 V1019 M1024 A1025 F1026 | F1018-L1022 HydrophobicContact CE1-CD1 4.07Å; F1018-L1022 HydrophobicContact CE2-CD1 4.4Å; F1018-L1022 HydrophobicContact CZ-CD1 3.76Å; F1018-L1022 VanDerWaalsContact O-CB 3.28Å; F1018-L1022 WeakPolarHBondContact O-CB 3.18Å; F1018-L1022 PolarHBondContact O-N 2.94Å; V1019-L1022 PolarHBondContact O-N 3.29Å; L1022-M1024 VanDerWaalsContact C-N 3.33Å; L1022-M1024 PolarHBondContact O-N 2.85Å; L1022-A1025 PolarHBondContact O-N 3.4Å; L1022-F1026 HydrophobicContact CD2-CD2 3.62Å; L1022-F1026 HydrophobicContact CD2-CE2 3.32Å; L1022-F1026 HydrophobicContact CD2-CZ 4.19Å; L1022-F1026 HydrophobicContact CG-CD2 4.35Å; L1022-F1026 HydrophobicContact CG-CE2 3.92Å; L1022-F1026 HydrophobicContact CG-CZ 4.33Å; L1022-F1026 PolarHBondContact O-N 2.93Å |
| 1023 | V | 92.9 | Very high | 91.6 | Very high | 45 Ų | 45 | 33.5 Ų | 33.5 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | T958 V962 V1019 G1027 | T958-V1023 HydrophobicContact CG2-CG1 3.63Å; V962-V1023 HydrophobicContact CG2-CB 4.18Å; V962-V1023 HydrophobicContact CG2-CG1 3.87Å; V1019-V1023 HydrophobicContact CG1-CG2 4.32Å; V1019-V1023 WeakPolarHBondContact O-CB 3.19Å; V1019-V1023 VanDerWaalsContact O-CG2 3.27Å; V1019-V1023 WeakPolarHBondContact O-CG2 3.4Å; V1019-V1023 PolarHBondContact O-N 3.43Å; V1023-G1027 PolarHBondContact O-N 3.23Å |
| 1024 | M | 91.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.064 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -48.7 | 175 | -176.4 | -169.2 | -68.3 | 0 | 0 | 111.3 | V962 Y966 G1020 A1021 L1022 F1026 G1027 M1028 I1078 R1079 M1082 | V962-M1024 HydrophobicContact CG1-CB 4.11Å; V962-M1024 HydrophobicContact CG1-CE 3.34Å; V962-M1024 HydrophobicContact CG1-CG 4.42Å; V962-M1024 HydrophobicContact CG2-CB 3.77Å; Y966-M1024 HydrophobicContact CD2-CE 4.44Å; Y966-M1024 HydrophobicContact CE2-CE 3.64Å; G1020-M1024 VanDerWaalsContact O-CB 3.24Å; G1020-M1024 WeakPolarHBondContact O-CB 3.32Å; G1020-M1024 PolarHBondContact O-N 3.4Å; A1021-M1024 PolarHBondContact O-N 3.24Å; L1022-M1024 VanDerWaalsContact C-N 3.33Å; L1022-M1024 PolarHBondContact O-N 2.85Å; M1024-F1026 PolarHBondContact O-N 3.23Å; M1024-G1027 PolarHBondContact O-N 3.23Å; M1024-M1028 HydrophobicContact CG-CE 3.37Å; M1024-M1028 HydrophobicContact CG-CG 4.43Å; M1024-M1028 HydrophobicContact CG-SD 3.78Å; M1024-M1028 WeakPolarHBondContact O-CG 3.44Å; M1024-M1028 PolarHBondContact O-N 2.91Å; M1024-M1028 HydrophobicContact SD-CE 3.48Å; M1024-M1028 WeakPolarHBondContact SD-CE 3.24Å; M1024-M1028 HydrophobicContact SD-SD 4.2Å; M1024-I1078 HydrophobicContact SD-CG2 4.34Å; M1024-R1079 HydrophobicContact SD-CB 4.06Å; M1024-M1082 HydrophobicContact CE-CB 4.12Å; M1024-M1082 HydrophobicContact CE-CG 3.57Å |
| 1025 | A | 89.8 | Confident | 92 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A548 A1021 L1022 M1028 V1029 | A548-A1025 HydrophobicContact CB-CB 3.76Å; A1021-A1025 WeakPolarHBondContact O-CB 3.48Å; A1021-A1025 PolarHBondContact O-N 3.28Å; L1022-A1025 PolarHBondContact O-N 3.4Å; A1025-M1028 PolarHBondContact O-N 3.13Å; A1025-V1029 WeakPolarHBondContact O-CG2 3.32Å; A1025-V1029 PolarHBondContact O-N 3.2Å |
| 1026 | F | 91.5 | Very high | 92.2 | Very high | 82 Ų | 82 | 32.2 Ų | 32.2 | 36% | 0.36 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.5 | -38.8 | 173.7 | -69.4 | -27.4 | 0 | 0 | 0 | 113.1 | R545 I549 L1022 M1024 M1028 V1029 G1030 | R545-F1026 HydrophobicContact CB-CE1 4.34Å; R545-F1026 HydrophobicContact CG-CD1 4.38Å; R545-F1026 HydrophobicContact CG-CE1 4.45Å; I549-F1026 HydrophobicContact CD1-CE1 4.23Å; I549-F1026 HydrophobicContact CD1-CZ 4Å; I549-F1026 HydrophobicContact CG1-CE1 3.97Å; I549-F1026 HydrophobicContact CG1-CZ 3.82Å; L1022-F1026 HydrophobicContact CD2-CD2 3.62Å; L1022-F1026 HydrophobicContact CD2-CE2 3.32Å; L1022-F1026 HydrophobicContact CD2-CZ 4.19Å; L1022-F1026 HydrophobicContact CG-CD2 4.35Å; L1022-F1026 HydrophobicContact CG-CE2 3.92Å; L1022-F1026 HydrophobicContact CG-CZ 4.33Å; L1022-F1026 PolarHBondContact O-N 2.93Å; M1024-F1026 PolarHBondContact O-N 3.23Å; F1026-M1028 VanDerWaalsContact C-N 3.34Å; F1026-M1028 PolarHBondContact O-N 2.95Å; F1026-V1029 PolarHBondContact O-N 3.23Å; F1026-G1030 PolarHBondContact O-N 2.85Å |
| 1027 | G | 92.6 | Very high | 92.3 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1023 M1024 G1030 A1031 | V1023-G1027 PolarHBondContact O-N 3.23Å; M1024-G1027 PolarHBondContact O-N 3.23Å; G1027-G1030 PolarHBondContact O-N 3.41Å; G1027-A1031 PolarHBondContact O-N 3.49Å |
| 1028 | M | 92.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 4% | 0.044 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.1 | -40.6 | 179.1 | -70.4 | 172 | 173.4 | 0 | 0 | 112.8 | I954 M1024 A1025 F1026 G1030 A1031 S1032 P1075 I1078 | I954-M1028 HydrophobicContact CD1-CG 4.14Å; M1024-M1028 HydrophobicContact CG-CE 3.37Å; M1024-M1028 HydrophobicContact CG-CG 4.43Å; M1024-M1028 HydrophobicContact CG-SD 3.78Å; M1024-M1028 WeakPolarHBondContact O-CG 3.44Å; M1024-M1028 PolarHBondContact O-N 2.91Å; M1024-M1028 HydrophobicContact SD-CE 3.48Å; M1024-M1028 WeakPolarHBondContact SD-CE 3.24Å; M1024-M1028 HydrophobicContact SD-SD 4.2Å; A1025-M1028 PolarHBondContact O-N 3.13Å; F1026-M1028 VanDerWaalsContact C-N 3.34Å; F1026-M1028 PolarHBondContact O-N 2.95Å; M1028-G1030 VanDerWaalsContact C-N 3.26Å; M1028-G1030 PolarHBondContact O-N 3.23Å; M1028-A1031 WeakPolarHBondContact O-CB 3.5Å; M1028-A1031 PolarHBondContact O-N 2.94Å; M1028-S1032 PolarHBondContact O-N 3.38Å; M1028-P1075 HydrophobicContact CB-CB 4.36Å; M1028-P1075 HydrophobicContact CB-CG 4.1Å; M1028-P1075 HydrophobicContact CG-CB 4.49Å; M1028-P1075 HydrophobicContact CG-CG 4.47Å; M1028-P1075 WeakPolarHBondContact SD-CA 3.49Å; M1028-P1075 HydrophobicContact SD-CB 3.43Å; M1028-P1075 WeakPolarHBondContact SD-CB 3.23Å; M1028-P1075 HydrophobicContact SD-CG 3.95Å; M1028-I1078 HydrophobicContact CE-CB 3.65Å; M1028-I1078 HydrophobicContact CE-CD1 4.01Å; M1028-I1078 HydrophobicContact CE-CG1 4.44Å; M1028-I1078 HydrophobicContact CE-CG2 3.42Å; M1028-I1078 VanDerWaalsContact CE-CG2 3.42Å |
| 1029 | V | 92.7 | Very high | 92.7 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 9% | 0.085 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -36.5 | 171.6 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | L541 L544 R545 A1025 F1026 S1032 K1033 | L541-V1029 HydrophobicContact CB-CG1 4.42Å; L541-V1029 HydrophobicContact CD2-CG1 3.71Å; L544-V1029 HydrophobicContact CB-CG2 4.36Å; R545-V1029 HydrophobicContact CG-CB 4.43Å; R545-V1029 HydrophobicContact CG-CG1 3.88Å; A1025-V1029 WeakPolarHBondContact O-CG2 3.32Å; A1025-V1029 PolarHBondContact O-N 3.2Å; F1026-V1029 PolarHBondContact O-N 3.23Å; V1029-S1032 PolarHBondContact O-N 3.44Å; V1029-K1033 PolarHBondContact O-N 3.1Å |
| 1030 | G | 93 | Very high | 92.7 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 29% | 0.289 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | F1026 G1027 M1028 K1033 K1034 | F1026-G1030 PolarHBondContact O-N 2.85Å; G1027-G1030 PolarHBondContact O-N 3.41Å; M1028-G1030 VanDerWaalsContact C-N 3.26Å; M1028-G1030 PolarHBondContact O-N 3.23Å; G1030-K1033 WeakPolarHBondContact O-CB 3.37Å; G1030-K1033 PolarHBondContact O-N 3.24Å; G1030-K1034 PolarHBondContact O-N 2.91Å; G1030-K1034 VanDerWaalsContact O-N 3.14Å |
| 1031 | A | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y950 S953 I954 G1027 M1028 K1034 L1035 | Y950-A1031 HydrophobicContact CE2-CB 4.29Å; S953-A1031 WeakPolarHBondContact O-CA 3.41Å; I954-A1031 HydrophobicContact CB-CB 4.47Å; I954-A1031 HydrophobicContact CG1-CB 3.63Å; G1027-A1031 PolarHBondContact O-N 3.49Å; M1028-A1031 WeakPolarHBondContact O-CB 3.5Å; M1028-A1031 PolarHBondContact O-N 2.94Å; A1031-K1034 PolarHBondContact O-N 3.43Å; A1031-L1035 WeakPolarHBondContact O-CG 3.37Å; A1031-L1035 PolarHBondContact O-N 3.03Å |
| 1032 | S | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 176.7 | 177.5 | 0 | 0 | 0 | 0 | 112.8 | R537 M1028 V1029 K1034 L1035 H1036 D1071 | R537-S1032 PolarHBondContact NH2-OG 3.3Å; M1028-S1032 PolarHBondContact O-N 3.38Å; V1029-S1032 PolarHBondContact O-N 3.44Å; S1032-K1034 VanDerWaalsContact C-N 3.26Å; S1032-K1034 PolarHBondContact O-N 2.88Å; S1032-L1035 PolarHBondContact O-N 2.87Å; S1032-H1036 VanDerWaalsContact O-CB 3.31Å; S1032-H1036 WeakPolarHBondContact O-CB 3.31Å; S1032-H1036 PolarHBondContact O-N 2.85Å; S1032-D1071 WeakPolarHBondContact CB-OD1 3.49Å; S1032-D1071 PolarHBondContact OG-OD1 3.47Å |
| 1033 | K | 94.7 | Very high | 92.8 | Very high | 106 Ų | 106 | 29 Ų | 29 | 46% | 0.461 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -54 | -45.7 | 174 | -179.4 | -174.6 | 174.2 | -169.9 | 0 | 111.3 | L541 V1029 G1030 S1037 | L541-K1033 HydrophobicContact CD1-CB 3.66Å; L541-K1033 HydrophobicContact CD1-CD 4.1Å; L541-K1033 HydrophobicContact CD1-CG 3.66Å; L541-K1033 HydrophobicContact CD2-CB 4.33Å; V1029-K1033 PolarHBondContact O-N 3.1Å; G1030-K1033 WeakPolarHBondContact O-CB 3.37Å; G1030-K1033 PolarHBondContact O-N 3.24Å; K1033-S1037 VanDerWaalsContact O-CB 3.3Å; K1033-S1037 WeakPolarHBondContact O-CB 3.16Å; K1033-S1037 PolarHBondContact O-N 2.72Å |
| 1034 | K | 94.2 | Very high | 92.6 | Very high | 97 Ų | 97 | 26.9 Ų | 26.9 | 42% | 0.422 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -68.3 | -46.3 | -178.2 | -170.5 | 174.4 | -178.5 | 175.7 | 0 | 112 | G1030 A1031 S1032 S1037 N1038 | G1030-K1034 PolarHBondContact O-N 2.91Å; G1030-K1034 VanDerWaalsContact O-N 3.14Å; A1031-K1034 PolarHBondContact O-N 3.43Å; S1032-K1034 VanDerWaalsContact C-N 3.26Å; S1032-K1034 PolarHBondContact O-N 2.88Å; K1034-S1037 PolarHBondContact O-N 2.95Å; K1034-N1038 WeakPolarHBondContact O-CB 3.35Å; K1034-N1038 VanDerWaalsContact O-CG 3.23Å; K1034-N1038 PolarHBondContact O-N 3.1Å |
| 1035 | L | 94.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -46.5 | 177.7 | -72 | 172.8 | 0 | 0 | 0 | 111.7 | Y950 A1031 S1032 N1038 L1039 V1070 V1250 I1257 | Y950-L1035 HydrophobicContact CD2-CD1 4.21Å; A1031-L1035 WeakPolarHBondContact O-CG 3.37Å; A1031-L1035 PolarHBondContact O-N 3.03Å; S1032-L1035 PolarHBondContact O-N 2.87Å; L1035-N1038 PolarHBondContact O-N 3.43Å; L1035-L1039 VanDerWaalsContact O-CB 3.29Å; L1035-L1039 WeakPolarHBondContact O-CB 3.26Å; L1035-L1039 PolarHBondContact O-N 3.29Å; L1035-V1070 HydrophobicContact CD1-CG1 4.06Å; L1035-V1250 HydrophobicContact CD1-CG1 4.39Å; L1035-I1257 HydrophobicContact CD2-CD1 4.45Å |
| 1036 | H | 94.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.7 | 178.8 | -79 | 0 | 0 | 0 | 112 | R493 S1032 N1038 L1039 L1040 I1067 | R493-H1036 PolarHBondContact NH1-NE2 2.73Å; S1032-H1036 VanDerWaalsContact O-CB 3.31Å; S1032-H1036 WeakPolarHBondContact O-CB 3.31Å; S1032-H1036 PolarHBondContact O-N 2.85Å; H1036-N1038 PolarHBondContact O-N 3.39Å; H1036-L1039 PolarHBondContact O-N 3.12Å; H1036-L1040 WeakPolarHBondContact O-CB 3.42Å; H1036-L1040 PolarHBondContact O-N 3.25Å; H1036-I1067 HydrophobicContact CB-CD1 4.07Å |
| 1037 | S | 93.4 | Very high | 91.9 | Very high | 48 Ų | 48 | 24.7 Ų | 24.7 | 34% | 0.336 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 179.9 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | K1033 K1034 H1041 | K1033-S1037 VanDerWaalsContact O-CB 3.3Å; K1033-S1037 WeakPolarHBondContact O-CB 3.16Å; K1033-S1037 PolarHBondContact O-N 2.72Å; K1034-S1037 PolarHBondContact O-N 2.95Å; S1037-H1041 VanDerWaalsContact O-CB 3.22Å; S1037-H1041 WeakPolarHBondContact O-CB 3.31Å; S1037-H1041 PolarHBondContact O-N 2.84Å |
| 1038 | N | 93.7 | Very high | 91.1 | Very high | 72 Ų | 72 | 24.8 Ų | 24.8 | 39% | 0.385 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -67.2 | -40 | 178.4 | -70.9 | -7.7 | 0 | 0 | 0 | 111.9 | K1034 L1035 H1036 S1042 I1257 | K1034-N1038 WeakPolarHBondContact O-CB 3.35Å; K1034-N1038 VanDerWaalsContact O-CG 3.23Å; K1034-N1038 PolarHBondContact O-N 3.1Å; L1035-N1038 PolarHBondContact O-N 3.43Å; H1036-N1038 PolarHBondContact O-N 3.39Å; N1038-S1042 VanDerWaalsContact O-CB 3.22Å; N1038-S1042 WeakPolarHBondContact O-CB 3.19Å; N1038-S1042 PolarHBondContact O-N 3.43Å; N1038-I1257 HydrophobicContact CB-CD1 3.87Å; N1038-I1257 HydrophobicContact CB-CG1 4.18Å; N1038-I1257 HydrophobicContact CB-CG2 4.41Å |
| 1039 | L | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -49.6 | 177 | 177.8 | 63.4 | 0 | 0 | 0 | 111.3 | L1035 H1036 H1041 S1042 L1043 I1063 I1067 I1253 Y1256 I1257 | L1035-L1039 VanDerWaalsContact O-CB 3.29Å; L1035-L1039 WeakPolarHBondContact O-CB 3.26Å; L1035-L1039 PolarHBondContact O-N 3.29Å; H1036-L1039 PolarHBondContact O-N 3.12Å; L1039-H1041 PolarHBondContact O-N 2.96Å; L1039-S1042 PolarHBondContact O-N 3.05Å; L1039-L1043 HydrophobicContact CD1-CD1 4.13Å; L1039-L1043 HydrophobicContact CD1-CG 4.2Å; L1039-L1043 HydrophobicContact CG-CD1 4.04Å; L1039-L1043 WeakPolarHBondContact O-CB 3.36Å; L1039-L1043 WeakPolarHBondContact O-CG 3.49Å; L1039-L1043 PolarHBondContact O-N 2.92Å; L1039-I1063 HydrophobicContact CD2-CB 4.39Å; L1039-I1063 HydrophobicContact CD2-CG1 4.44Å; L1039-I1067 HydrophobicContact CD2-CD1 4.21Å; L1039-I1067 HydrophobicContact CD2-CG1 4.24Å; L1039-I1253 HydrophobicContact CB-CG2 4.24Å; L1039-I1253 HydrophobicContact CD1-CG2 4.48Å; L1039-I1253 HydrophobicContact CD2-CG1 4.3Å; L1039-I1253 HydrophobicContact CD2-CG2 4.22Å; L1039-Y1256 HydrophobicContact CD1-CG 4.47Å; L1039-I1257 HydrophobicContact CB-CG1 4.25Å; L1039-I1257 HydrophobicContact CD1-CG1 4.49Å |
| 1040 | L | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.9 | -48.8 | 178.4 | 176.8 | 60.9 | 0 | 0 | 0 | 110.8 | M497 E530 L533 H1036 S1042 L1043 L1044 I1063 | M497-L1040 HydrophobicContact SD-CD1 4.14Å; E530-L1040 HydrophobicContact CG-CD2 4.17Å; E530-L1040 HydrophobicContact CG-CG 4.45Å; L533-L1040 HydrophobicContact CB-CD2 3.9Å; L533-L1040 HydrophobicContact CD1-CD1 3.6Å; L533-L1040 HydrophobicContact CD1-CD2 4.08Å; L533-L1040 HydrophobicContact CD1-CG 4.5Å; H1036-L1040 WeakPolarHBondContact O-CB 3.42Å; H1036-L1040 PolarHBondContact O-N 3.25Å; L1040-S1042 VanDerWaalsContact C-N 3.34Å; L1040-S1042 PolarHBondContact O-N 3.47Å; L1040-L1043 PolarHBondContact O-N 3.41Å; L1040-L1044 HydrophobicContact CD1-CD1 4.18Å; L1040-L1044 HydrophobicContact CD1-CG 4.35Å; L1040-L1044 HydrophobicContact CG-CD1 4.27Å; L1040-L1044 WeakPolarHBondContact O-CG 3.34Å; L1040-L1044 PolarHBondContact O-N 3.13Å; L1040-L1044 VanDerWaalsContact O-N 3.09Å; L1040-I1063 HydrophobicContact CD1-CD1 4.2Å |
| 1041 | H | 91.4 | Very high | 88.9 | Confident | 57 Ų | 57 | 25.2 Ų | 25.2 | 26% | 0.264 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -62 | -41.9 | 178.2 | -171.6 | 74.1 | 0 | 0 | 0 | 112 | E530 S1037 L1039 R1045 W1265 | E530-H1041 IonicContact OE1-CG 2.87Å; E530-H1041 IonicContact OE1-ND1 2.82Å; E530-H1041 PolarHBondContact OE1-ND1 3.16Å; E530-H1041 IonicContact OE2-ND1 2.78Å; S1037-H1041 VanDerWaalsContact O-CB 3.22Å; S1037-H1041 WeakPolarHBondContact O-CB 3.31Å; S1037-H1041 PolarHBondContact O-N 2.84Å; L1039-H1041 PolarHBondContact O-N 2.96Å; H1041-R1045 WeakPolarHBondContact O-CB 3.48Å; H1041-R1045 VanDerWaalsContact O-CG 3.23Å; H1041-R1045 WeakPolarHBondContact O-CG 3.48Å; H1041-R1045 PolarHBondContact O-N 2.95Å; H1041-W1265 AromaticContact CE1-CH2 3.9Å; H1041-W1265 AromaticContact CE1-CZ3 3.89Å |
| 1042 | S | 91.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.3 | -50.8 | 176 | -167.5 | 0 | 0 | 0 | 0 | 111.1 | N1038 L1039 L1040 L1044 R1045 V1046 Y1256 I1257 | N1038-S1042 VanDerWaalsContact O-CB 3.22Å; N1038-S1042 WeakPolarHBondContact O-CB 3.19Å; N1038-S1042 PolarHBondContact O-N 3.43Å; L1039-S1042 PolarHBondContact O-N 3.05Å; L1040-S1042 VanDerWaalsContact C-N 3.34Å; L1040-S1042 PolarHBondContact O-N 3.47Å; S1042-L1044 PolarHBondContact O-N 3.43Å; S1042-R1045 CarbonylContact O-C 3.56Å; S1042-R1045 WeakPolarHBondContact O-CA 3.36Å; S1042-R1045 WeakPolarHBondContact O-CB 3.17Å; S1042-R1045 PolarHBondContact O-N 3.17Å; S1042-V1046 WeakPolarHBondContact O-CG2 3.23Å; S1042-V1046 PolarHBondContact O-N 3.4Å; S1042-V1046 VanDerWaalsContact O-N 3.07Å; S1042-Y1256 PolarHBondContact OG-O 3.23Å; S1042-I1257 PolarHBondContact OG-O 3.48Å |
| 1043 | L | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.2 | -48.1 | -179.9 | -76.6 | 172.6 | 0 | 0 | 0 | 112 | M497 L1039 L1040 R1045 V1046 Y1051 I1059 I1063 Y1256 | M497-L1043 HydrophobicContact CE-CD1 4.4Å; L1039-L1043 HydrophobicContact CD1-CD1 4.13Å; L1039-L1043 HydrophobicContact CD1-CG 4.2Å; L1039-L1043 HydrophobicContact CG-CD1 4.04Å; L1039-L1043 WeakPolarHBondContact O-CB 3.36Å; L1039-L1043 WeakPolarHBondContact O-CG 3.49Å; L1039-L1043 PolarHBondContact O-N 2.92Å; L1040-L1043 PolarHBondContact O-N 3.41Å; L1043-R1045 PolarHBondContact O-N 3.29Å; L1043-R1045 VanDerWaalsContact O-N 3.16Å; L1043-V1046 PolarHBondContact O-N 2.93Å; L1043-Y1051 VanDerWaalsContact C-OH 3.31Å; L1043-Y1051 PolarHBondContact O-OH 3.34Å; L1043-I1059 HydrophobicContact CD1-CG2 3.94Å; L1043-I1059 HydrophobicContact CD2-CG2 3.75Å; L1043-I1059 HydrophobicContact CG-CG2 4.5Å; L1043-I1063 HydrophobicContact CD1-CD1 4.31Å; L1043-Y1256 HydrophobicContact CD2-CD1 3.86Å; L1043-Y1256 HydrophobicContact CD2-CE1 4.48Å |
| 1044 | L | 87.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -24.3 | 177.3 | -66.8 | 173.9 | 0 | 0 | 0 | 112.9 | I500 L520 E526 E530 L1040 S1042 | I500-L1044 HydrophobicContact CG2-CD2 4.41Å; L520-L1044 HydrophobicContact CD2-CD2 4.24Å; E526-L1044 HydrophobicContact CB-CB 4.35Å; E526-L1044 HydrophobicContact CB-CD2 4.45Å; E526-L1044 HydrophobicContact CG-CB 4.43Å; E526-L1044 HydrophobicContact CG-CD2 4.48Å; E530-L1044 HydrophobicContact CB-CD1 3.64Å; E530-L1044 HydrophobicContact CG-CD1 3.96Å; L1040-L1044 HydrophobicContact CD1-CD1 4.18Å; L1040-L1044 HydrophobicContact CD1-CG 4.35Å; L1040-L1044 HydrophobicContact CG-CD1 4.27Å; L1040-L1044 WeakPolarHBondContact O-CG 3.34Å; L1040-L1044 PolarHBondContact O-N 3.13Å; L1040-L1044 VanDerWaalsContact O-N 3.09Å; S1042-L1044 PolarHBondContact O-N 3.43Å |
| 1045 | R | 88.7 | Confident | 83.7 | Confident | 29 Ų | 29 | 21.2 Ų | 21.2 | 11% | 0.109 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -94.1 | -7.6 | 179.1 | -69.7 | -67.7 | -57.4 | -123.5 | -6.5 | 114.8 | H1041 S1042 L1043 R1261 E1262 A1263 W1265 | H1041-R1045 WeakPolarHBondContact O-CB 3.48Å; H1041-R1045 VanDerWaalsContact O-CG 3.23Å; H1041-R1045 WeakPolarHBondContact O-CG 3.48Å; H1041-R1045 PolarHBondContact O-N 2.95Å; S1042-R1045 CarbonylContact O-C 3.56Å; S1042-R1045 WeakPolarHBondContact O-CA 3.36Å; S1042-R1045 WeakPolarHBondContact O-CB 3.17Å; S1042-R1045 PolarHBondContact O-N 3.17Å; L1043-R1045 PolarHBondContact O-N 3.29Å; L1043-R1045 VanDerWaalsContact O-N 3.16Å; R1045-R1261 HydrophobicContact CB-CB 4.24Å; R1045-R1261 HydrophobicContact CB-CG 4.15Å; R1045-R1261 CarbonylContact O-C 3.57Å; R1045-R1261 WeakPolarHBondContact O-CA 3.39Å; R1045-E1262 PolarHBondContact NH2-O 2.94Å; R1045-E1262 VanDerWaalsContact NH2-O 3.08Å; R1045-E1262 VanDerWaalsContact O-CB 3.31Å; R1045-E1262 WeakPolarHBondContact O-CB 3.3Å; R1045-E1262 PolarHBondContact O-N 3.41Å; R1045-A1263 PolarHBondContact NH2-O 3.38Å; R1045-A1263 VanDerWaalsContact NH2-O 3.1Å; R1045-W1265 VanDerWaalsContact CD-NE1 3.31Å; R1045-W1265 HydrophobicContact CG-CH2 4.46Å; R1045-W1265 HydrophobicContact CG-CZ2 3.97Å |
| 1046 | V | 87 | Confident | 82.6 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -73.8 | 139.3 | -179 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | K521 S1042 L1043 F1050 Y1051 L1259 | K521-V1046 PolarHBondContact NZ-O 2.96Å; S1042-V1046 WeakPolarHBondContact O-CG2 3.23Å; S1042-V1046 PolarHBondContact O-N 3.4Å; S1042-V1046 VanDerWaalsContact O-N 3.07Å; L1043-V1046 PolarHBondContact O-N 2.93Å; V1046-F1050 HydrophobicContact CB-CD1 4.37Å; V1046-F1050 HydrophobicContact CG1-CB 3.28Å; V1046-F1050 HydrophobicContact CG1-CD1 3.64Å; V1046-F1050 HydrophobicContact CG1-CD2 4.17Å; V1046-F1050 HydrophobicContact CG1-CG 3.43Å; V1046-F1050 VanDerWaalsContact CG1-CG 3.43Å; V1046-Y1051 HydrophobicContact CB-CE2 4.41Å; V1046-L1259 HydrophobicContact CG1-CD1 4.47Å; V1046-L1259 HydrophobicContact CG2-CB 3.99Å; V1046-L1259 HydrophobicContact CG2-CD1 4Å |
| 1047 | P | 82.6 | Confident | 81.4 | Confident | 37 Ų | 37 | 24.4 Ų | 24.4 | 24% | 0.24 | 15% | 0.147 | C | C | . | . | trans | -62.2 | 163.1 | 179 | 27.6 | -38.3 | 0 | 0 | 0 | 113.3 | S1049 F1050 K1260 | P1047-S1049 VanDerWaalsContact C-N 3.32Å; P1047-S1049 PolarHBondContact O-N 3.47Å; P1047-F1050 WeakPolarHBondContact O-CB 3.35Å; P1047-F1050 PolarHBondContact O-N 3.24Å; P1047-K1260 WeakPolarHBondContact CD-O 3.37Å | ||
| 1048 | M | 77.1 | Confident | 80.5 | Confident | 11 Ų | 11 | 25.1 Ų | 25.1 | 5% | 0.054 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.8 | -38.3 | -174.3 | -159.7 | 58 | 151.3 | 0 | 0 | 113.7 | I504 Q507 I508 K521 F1050 Y1051 E1052 I1331 | I504-M1048 HydrophobicContact CG2-CE 4.14Å; I504-M1048 HydrophobicContact CG2-SD 3.7Å; I504-M1048 WeakPolarHBondContact O-CE 3.43Å; Q507-M1048 HydrophobicContact CB-CE 3.53Å; Q507-M1048 HydrophobicContact CG-CE 3.94Å; I508-M1048 HydrophobicContact CD1-CE 3.48Å; I508-M1048 VanDerWaalsContact CD1-CE 3.48Å; I508-M1048 HydrophobicContact CD1-CG 3.62Å; I508-M1048 HydrophobicContact CD1-SD 3.58Å; I508-M1048 VanDerWaalsContact CD1-SD 3.58Å; I508-M1048 HydrophobicContact CG1-CE 3.5Å; I508-M1048 HydrophobicContact CG1-CG 3.58Å; I508-M1048 HydrophobicContact CG1-SD 4.02Å; K521-M1048 HydrophobicContact CD-SD 4.4Å; M1048-F1050 PolarHBondContact O-N 3.12Å; M1048-Y1051 WeakPolarHBondContact O-CB 3.08Å; M1048-Y1051 PolarHBondContact O-N 2.93Å; M1048-E1052 WeakPolarHBondContact O-CG 3.35Å; M1048-E1052 PolarHBondContact O-N 2.97Å; M1048-I1331 HydrophobicContact CB-CG2 3.89Å; M1048-I1331 HydrophobicContact CG-CG2 4.2Å |
| 1049 | S | 74.2 | Confident | 80.1 | Confident | 32 Ų | 32 | 21.7 Ų | 21.7 | 22% | 0.224 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.1 | -25.9 | 179.1 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | P1047 T1053 | P1047-S1049 VanDerWaalsContact C-N 3.32Å; P1047-S1049 PolarHBondContact O-N 3.47Å; S1049-T1053 WeakPolarHBondContact O-CG2 3.24Å; S1049-T1053 PolarHBondContact O-N 3.47Å; S1049-T1053 PolarHBondContact O-OG1 3.45Å |
| 1050 | F | 80.2 | Confident | 79.6 | Confident | 27 Ų | 27 | 23.5 Ų | 23.5 | 12% | 0.118 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.6 | -39.5 | 174.1 | 176.5 | -101.8 | 0 | 0 | 0 | 112.8 | V1046 P1047 M1048 E1052 T1053 T1054 I1059 Y1256 L1259 | V1046-F1050 HydrophobicContact CB-CD1 4.37Å; V1046-F1050 HydrophobicContact CG1-CB 3.28Å; V1046-F1050 HydrophobicContact CG1-CD1 3.64Å; V1046-F1050 HydrophobicContact CG1-CD2 4.17Å; V1046-F1050 HydrophobicContact CG1-CG 3.43Å; V1046-F1050 VanDerWaalsContact CG1-CG 3.43Å; P1047-F1050 WeakPolarHBondContact O-CB 3.35Å; P1047-F1050 PolarHBondContact O-N 3.24Å; M1048-F1050 PolarHBondContact O-N 3.12Å; F1050-E1052 VanDerWaalsContact C-N 3.29Å; F1050-E1052 PolarHBondContact O-N 3.41Å; F1050-T1053 PolarHBondContact O-N 3.21Å; F1050-T1053 PolarHBondContact O-OG1 2.98Å; F1050-T1054 HydrophobicContact CE1-CG2 4.44Å; F1050-T1054 HydrophobicContact CE2-CG2 4.48Å; F1050-T1054 VanDerWaalsContact CE2-OG1 3.3Å; F1050-T1054 WeakPolarHBondContact CE2-OG1 3.25Å; F1050-T1054 HydrophobicContact CZ-CG2 4.04Å; F1050-T1054 WeakPolarHBondContact O-CB 3.39Å; F1050-T1054 PolarHBondContact O-N 3.39Å; F1050-T1054 PolarHBondContact O-OG1 3.07Å; F1050-I1059 HydrophobicContact CD1-CD1 4.38Å; F1050-I1059 HydrophobicContact CE1-CD1 3.77Å; F1050-I1059 HydrophobicContact CE1-CG1 4.22Å; F1050-Y1256 HydrophobicContact CE1-CE1 4.11Å; F1050-Y1256 AromaticContact CZ-CD1 4Å; F1050-Y1256 HydrophobicContact CZ-CD1 4Å; F1050-Y1256 AromaticContact CZ-CE1 3.49Å; F1050-Y1256 HydrophobicContact CZ-CE1 3.49Å; F1050-Y1256 VanDerWaalsContact CZ-CE1 3.49Å; F1050-L1259 HydrophobicContact CD2-CD1 4.11Å; F1050-L1259 HydrophobicContact CD2-CD2 4.41Å; F1050-L1259 HydrophobicContact CE1-CD1 4.16Å; F1050-L1259 HydrophobicContact CE2-CD1 3.55Å; F1050-L1259 HydrophobicContact CE2-CD2 4.1Å; F1050-L1259 HydrophobicContact CE2-CG 4.49Å; F1050-L1259 HydrophobicContact CZ-CD1 3.58Å |
| 1051 | Y | 76.4 | Confident | 79.1 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -73.8 | -23.3 | -179.6 | -67.7 | -79.1 | 0 | 0 | 0 | 112.6 | L501 I504 L1043 V1046 M1048 L1056 I1059 | L501-Y1051 HydrophobicContact CD2-CD1 4.39Å; L501-Y1051 HydrophobicContact CD2-CE1 3.65Å; I504-Y1051 HydrophobicContact CD1-CE1 4.43Å; I504-Y1051 HydrophobicContact CG2-CD1 4.02Å; I504-Y1051 HydrophobicContact CG2-CD2 3.58Å; I504-Y1051 HydrophobicContact CG2-CE1 4.25Å; I504-Y1051 HydrophobicContact CG2-CE2 3.85Å; I504-Y1051 HydrophobicContact CG2-CG 3.67Å; L1043-Y1051 VanDerWaalsContact C-OH 3.31Å; L1043-Y1051 PolarHBondContact O-OH 3.34Å; V1046-Y1051 HydrophobicContact CB-CE2 4.41Å; M1048-Y1051 WeakPolarHBondContact O-CB 3.08Å; M1048-Y1051 PolarHBondContact O-N 2.93Å; Y1051-L1056 HydrophobicContact CD1-CD2 4.45Å; Y1051-I1059 HydrophobicContact CD1-CD1 3.57Å; Y1051-I1059 HydrophobicContact CE1-CD1 3.58Å |
| 1052 | E | 63.9 | Low | 78.9 | Confident | 59 Ų | 59 | 24 Ų | 24 | 28% | 0.276 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -69.7 | -47.6 | 172.6 | -44.5 | -170.3 | 150.6 | 0 | 0 | 111 | I508 M1048 F1050 | I508-E1052 HydrophobicContact CB-CG 4.37Å; I508-E1052 HydrophobicContact CD1-CG 3.7Å; I508-E1052 HydrophobicContact CG1-CG 3.84Å; I508-E1052 HydrophobicContact CG2-CB 4.21Å; I508-E1052 HydrophobicContact CG2-CG 3.58Å; I508-E1052 WeakPolarHBondContact CG2-OE1 3.31Å; M1048-E1052 WeakPolarHBondContact O-CG 3.35Å; M1048-E1052 PolarHBondContact O-N 2.97Å; F1050-E1052 VanDerWaalsContact C-N 3.29Å; F1050-E1052 PolarHBondContact O-N 3.41Å |
| 1053 | T | 66.1 | Low | 78.9 | Confident | 16 Ų | 16 | 24.1 Ų | 24.1 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -84.5 | -27.9 | -171.6 | 52.1 | 0 | 0 | 0 | 0 | 113 | S1049 F1050 | S1049-T1053 WeakPolarHBondContact O-CG2 3.24Å; S1049-T1053 PolarHBondContact O-N 3.47Å; S1049-T1053 PolarHBondContact O-OG1 3.45Å; F1050-T1053 PolarHBondContact O-N 3.21Å; F1050-T1053 PolarHBondContact O-OG1 2.98Å |
| 1054 | T | 68.9 | Low | 78.8 | Confident | 8 Ų | 8 | 24.3 Ų | 24.3 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -98.4 | 124.1 | -178.4 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | F1050 L1056 R1058 I1059 | F1050-T1054 HydrophobicContact CE1-CG2 4.44Å; F1050-T1054 HydrophobicContact CE2-CG2 4.48Å; F1050-T1054 VanDerWaalsContact CE2-OG1 3.3Å; F1050-T1054 WeakPolarHBondContact CE2-OG1 3.25Å; F1050-T1054 HydrophobicContact CZ-CG2 4.04Å; F1050-T1054 WeakPolarHBondContact O-CB 3.39Å; F1050-T1054 PolarHBondContact O-N 3.39Å; F1050-T1054 PolarHBondContact O-OG1 3.07Å; T1054-L1056 PolarHBondContact O-N 3.08Å; T1054-R1058 HydrophobicContact CG2-CB 4.15Å; T1054-I1059 HydrophobicContact CG2-CD1 4.41Å; T1054-I1059 HydrophobicContact CG2-CG1 4.04Å |
| 1055 | P | 68.6 | Low | 78.7 | Confident | 37 Ų | 37 | 30 Ų | 30 | 24% | 0.24 | 17% | 0.166 | C | C | . | . | trans | -58.1 | 134 | 171.1 | -23.3 | 32.1 | 0 | 0 | 0 | 111.7 | T932 G1057 R1058 | T932-P1055 HydrophobicContact CG2-CG 3.69Å; P1055-G1057 PolarHBondContact O-N 2.86Å; P1055-R1058 HydrophobicContact CB-CG 4.27Å; P1055-R1058 HydrophobicContact CG-CG 4.44Å; P1055-R1058 WeakPolarHBondContact O-CB 3.36Å; P1055-R1058 PolarHBondContact O-N 3.39Å | ||
| 1056 | L | 71.6 | Confident | 78.8 | Confident | 21 Ų | 21 | 28.8 Ų | 28.8 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -36.5 | 179.7 | -69.4 | -177.6 | 0 | 0 | 0 | 112.6 | L501 N502 K505 Y1051 T1054 R1058 I1059 V1060 | L501-L1056 HydrophobicContact CB-CD2 4.04Å; N502-L1056 WeakPolarHBondContact OD1-CD1 3.26Å; K505-L1056 HydrophobicContact CB-CD1 3.81Å; K505-L1056 HydrophobicContact CB-CD2 4.02Å; K505-L1056 HydrophobicContact CB-CG 4.2Å; K505-L1056 HydrophobicContact CD-CD1 3.54Å; K505-L1056 HydrophobicContact CD-CD2 3.83Å; K505-L1056 HydrophobicContact CD-CG 3.39Å; K505-L1056 HydrophobicContact CG-CD1 4.25Å; K505-L1056 HydrophobicContact CG-CG 4.42Å; Y1051-L1056 HydrophobicContact CD1-CD2 4.45Å; T1054-L1056 PolarHBondContact O-N 3.08Å; L1056-R1058 PolarHBondContact O-N 2.95Å; L1056-R1058 VanDerWaalsContact O-N 3.13Å; L1056-I1059 HydrophobicContact CD2-CD1 4.3Å; L1056-I1059 PolarHBondContact O-N 3.4Å; L1056-V1060 WeakPolarHBondContact O-CG2 3.46Å; L1056-V1060 PolarHBondContact O-N 3.2Å |
| 1057 | G | 68.8 | Low | 79.1 | Confident | 55 Ų | 55 | 28.7 Ų | 28.7 | 57% | 0.567 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -54.3 | -32.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | P1055 N1061 | P1055-G1057 PolarHBondContact O-N 2.86Å; G1057-N1061 WeakPolarHBondContact O-CB 3.47Å; G1057-N1061 PolarHBondContact O-N 3.34Å |
| 1058 | R | 75.1 | Confident | 79.5 | Confident | 62 Ų | 62 | 28.3 Ų | 28.3 | 23% | 0.234 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.6 | -45 | 174.9 | -62.6 | -173 | -169.6 | 164.3 | 1.6 | 111.5 | E933 T1054 P1055 L1056 N1061 R1062 | E933-R1058 PolarHBondContact O-NH1 2.76Å; E933-R1058 PolarHBondContact O-NH2 3.2Å; T1054-R1058 HydrophobicContact CG2-CB 4.15Å; P1055-R1058 HydrophobicContact CB-CG 4.27Å; P1055-R1058 HydrophobicContact CG-CG 4.44Å; P1055-R1058 WeakPolarHBondContact O-CB 3.36Å; P1055-R1058 PolarHBondContact O-N 3.39Å; L1056-R1058 PolarHBondContact O-N 2.95Å; L1056-R1058 VanDerWaalsContact O-N 3.13Å; R1058-N1061 WeakPolarHBondContact O-CB 3.34Å; R1058-N1061 PolarHBondContact O-N 2.98Å; R1058-R1062 WeakPolarHBondContact O-CG 3.41Å; R1058-R1062 PolarHBondContact O-N 3.46Å |
| 1059 | I | 84.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | -180 | -52.1 | 179.1 | 0 | 0 | 0 | 110.5 | L501 L1043 F1050 Y1051 T1054 L1056 N1061 R1062 I1063 Y1256 | L501-I1059 HydrophobicContact CD1-CB 4.11Å; L501-I1059 HydrophobicContact CD1-CG2 3.79Å; L501-I1059 HydrophobicContact CD2-CD1 4.43Å; L501-I1059 HydrophobicContact CD2-CG2 3.85Å; L1043-I1059 HydrophobicContact CD1-CG2 3.94Å; L1043-I1059 HydrophobicContact CD2-CG2 3.75Å; L1043-I1059 HydrophobicContact CG-CG2 4.5Å; F1050-I1059 HydrophobicContact CD1-CD1 4.38Å; F1050-I1059 HydrophobicContact CE1-CD1 3.77Å; F1050-I1059 HydrophobicContact CE1-CG1 4.22Å; Y1051-I1059 HydrophobicContact CD1-CD1 3.57Å; Y1051-I1059 HydrophobicContact CE1-CD1 3.58Å; T1054-I1059 HydrophobicContact CG2-CD1 4.41Å; T1054-I1059 HydrophobicContact CG2-CG1 4.04Å; L1056-I1059 HydrophobicContact CD2-CD1 4.3Å; L1056-I1059 PolarHBondContact O-N 3.4Å; I1059-N1061 VanDerWaalsContact C-N 3.28Å; I1059-N1061 PolarHBondContact O-N 3.41Å; I1059-R1062 PolarHBondContact O-N 3.32Å; I1059-R1062 VanDerWaalsContact O-N 3.15Å; I1059-I1063 PolarHBondContact O-N 3.25Å; I1059-I1063 VanDerWaalsContact O-N 3.16Å; I1059-Y1256 HydrophobicContact CG1-CE1 4.31Å |
| 1060 | V | 83.9 | Confident | 81 | Confident | 39 Ų | 39 | 27.7 Ų | 27.7 | 24% | 0.236 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.8 | -40.3 | 174.8 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | L501 L1056 R1062 I1063 G1064 | L501-V1060 HydrophobicContact CD1-CG2 3.56Å; L1056-V1060 WeakPolarHBondContact O-CG2 3.46Å; L1056-V1060 PolarHBondContact O-N 3.2Å; V1060-R1062 PolarHBondContact O-N 3Å; V1060-I1063 PolarHBondContact O-N 3.11Å; V1060-G1064 WeakPolarHBondContact O-CA 3.37Å; V1060-G1064 PolarHBondContact O-N 2.85Å |
| 1061 | N | 82.6 | Confident | 81.5 | Confident | 61 Ų | 61 | 27.1 Ų | 27.1 | 33% | 0.326 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.5 | -36.6 | 177 | -164.2 | 28.9 | 0 | 0 | 0 | 112.4 | G1057 R1058 I1059 K1065 D1066 | G1057-N1061 WeakPolarHBondContact O-CB 3.47Å; G1057-N1061 PolarHBondContact O-N 3.34Å; R1058-N1061 WeakPolarHBondContact O-CB 3.34Å; R1058-N1061 PolarHBondContact O-N 2.98Å; I1059-N1061 VanDerWaalsContact C-N 3.28Å; I1059-N1061 PolarHBondContact O-N 3.41Å; N1061-K1065 WeakPolarHBondContact O-CB 3.44Å; N1061-K1065 PolarHBondContact O-N 2.89Å; N1061-K1065 WeakPolarHBondContact OD1-CB 3.47Å; N1061-K1065 WeakPolarHBondContact OD1-CD 3.4Å; N1061-D1066 PolarHBondContact O-N 3.47Å |
| 1062 | R | 87.2 | Confident | 82 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 2% | 0.023 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -63.7 | -50.7 | 174.8 | -63.3 | -47.2 | 178.6 | -132.8 | -2.7 | 112.2 | E935 R1058 I1059 V1060 D1066 I1067 Y1256 | E935-R1062 IonicContact OE1-CZ 2.78Å; E935-R1062 IonicContact OE1-NH2 3.11Å; E935-R1062 PolarHBondContact OE1-NH2 3.46Å; R1058-R1062 WeakPolarHBondContact O-CG 3.41Å; R1058-R1062 PolarHBondContact O-N 3.46Å; I1059-R1062 PolarHBondContact O-N 3.32Å; I1059-R1062 VanDerWaalsContact O-N 3.15Å; V1060-R1062 PolarHBondContact O-N 3Å; R1062-D1066 WeakPolarHBondContact CD-OD2 3.36Å; R1062-D1066 IonicContact CZ-OD2 3.14Å; R1062-D1066 IonicContact NE-OD2 3.48Å; R1062-D1066 IonicContact NH1-OD2 3.06Å; R1062-D1066 PolarHBondContact NH1-OD2 3.27Å; R1062-D1066 WeakPolarHBondContact O-CB 3.45Å; R1062-I1067 PolarHBondContact O-N 2.6Å; R1062-Y1256 HydrophobicContact CG-CD1 4.29Å; R1062-Y1256 HydrophobicContact CG-CD2 4.25Å; R1062-Y1256 HydrophobicContact CG-CE1 4.04Å; R1062-Y1256 HydrophobicContact CG-CE2 4.05Å; R1062-Y1256 HydrophobicContact CG-CG 4.38Å |
| 1063 | I | 90.7 | Very high | 83.1 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -81.6 | -16.8 | -175.4 | -158.1 | 167.5 | 0 | 0 | 0 | 113.6 | R493 L494 M497 L1039 L1040 L1043 I1059 V1060 | R493-I1063 PolarHBondContact NH1-O 3.46Å; L494-I1063 HydrophobicContact CD2-CG2 4.23Å; M497-I1063 HydrophobicContact CE-CD1 4.26Å; M497-I1063 HydrophobicContact CG-CD1 4.09Å; M497-I1063 HydrophobicContact CG-CG2 3.87Å; M497-I1063 HydrophobicContact SD-CD1 3.77Å; L1039-I1063 HydrophobicContact CD2-CB 4.39Å; L1039-I1063 HydrophobicContact CD2-CG1 4.44Å; L1040-I1063 HydrophobicContact CD1-CD1 4.2Å; L1043-I1063 HydrophobicContact CD1-CD1 4.31Å; I1059-I1063 PolarHBondContact O-N 3.25Å; I1059-I1063 VanDerWaalsContact O-N 3.16Å; V1060-I1063 PolarHBondContact O-N 3.11Å |
| 1064 | G | 90 | Very high | 84.3 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -94.5 | -79.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L494 V1060 D1068 | L494-G1064 VanDerWaalsContact CD2-CA 3.44Å; V1060-G1064 WeakPolarHBondContact O-CA 3.37Å; V1060-G1064 PolarHBondContact O-N 2.85Å; G1064-D1068 VanDerWaalsContact O-CB 3.26Å; G1064-D1068 WeakPolarHBondContact O-CB 3.37Å; G1064-D1068 PolarHBondContact O-N 3.37Å |
| 1065 | K | 84.7 | Confident | 85.3 | Confident | 120 Ų | 120 | 28.9 Ų | 28.9 | 52% | 0.522 | 16% | 0.161 | S | C | . | . | I | π-helix | trans | -72.1 | -45.2 | -170.8 | -169.6 | 178.8 | -179.6 | 174.1 | 0 | 113 | N1061 D1068 M1069 | N1061-K1065 WeakPolarHBondContact O-CB 3.44Å; N1061-K1065 PolarHBondContact O-N 2.89Å; N1061-K1065 WeakPolarHBondContact OD1-CB 3.47Å; N1061-K1065 WeakPolarHBondContact OD1-CD 3.4Å; K1065-D1068 WeakPolarHBondContact O-CB 3.42Å; K1065-D1068 PolarHBondContact O-N 2.97Å; K1065-M1069 HydrophobicContact CG-CE 4.24Å; K1065-M1069 WeakPolarHBondContact O-CG 3.43Å; K1065-M1069 PolarHBondContact O-N 3.34Å |
| 1066 | D | 90.6 | Very high | 86.1 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -68.5 | -36.6 | -178 | -72.2 | -35.7 | 0 | 0 | 0 | 111.4 | N1061 R1062 M1069 V1070 S1249 I1253 | N1061-D1066 PolarHBondContact O-N 3.47Å; R1062-D1066 WeakPolarHBondContact CD-OD2 3.36Å; R1062-D1066 IonicContact CZ-OD2 3.14Å; R1062-D1066 IonicContact NE-OD2 3.48Å; R1062-D1066 IonicContact NH1-OD2 3.06Å; R1062-D1066 PolarHBondContact NH1-OD2 3.27Å; R1062-D1066 WeakPolarHBondContact O-CB 3.45Å; D1066-M1069 PolarHBondContact O-N 3.19Å; D1066-V1070 WeakPolarHBondContact O-CG2 3.44Å; D1066-V1070 PolarHBondContact O-N 3.06Å; D1066-S1249 WeakPolarHBondContact OD1-CB 3.46Å; D1066-S1249 PolarHBondContact OD1-OG 2.93Å; D1066-I1253 HydrophobicContact CB-CD1 4.12Å; D1066-I1253 HydrophobicContact CB-CG1 4.2Å |
| 1067 | I | 93.6 | Very high | 87 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 169.7 | -67.8 | -67.5 | 0 | 0 | 0 | 111.8 | H1036 L1039 R1062 M1069 V1070 D1071 I1253 | H1036-I1067 HydrophobicContact CB-CD1 4.07Å; L1039-I1067 HydrophobicContact CD2-CD1 4.21Å; L1039-I1067 HydrophobicContact CD2-CG1 4.24Å; R1062-I1067 PolarHBondContact O-N 2.6Å; I1067-M1069 VanDerWaalsContact C-N 3.32Å; I1067-M1069 PolarHBondContact O-N 3.14Å; I1067-V1070 CarbonylContact O-C 3.46Å; I1067-V1070 WeakPolarHBondContact O-CA 3.4Å; I1067-V1070 WeakPolarHBondContact O-CB 3.28Å; I1067-V1070 PolarHBondContact O-N 3.29Å; I1067-V1070 VanDerWaalsContact O-N 3.09Å; I1067-D1071 PolarHBondContact O-N 3.49Å; I1067-I1253 HydrophobicContact CD1-CD1 3.78Å; I1067-I1253 HydrophobicContact CG1-CD1 4.37Å |
| 1068 | D | 91 | Very high | 88 | Confident | 29 Ų | 29 | 29.5 Ų | 29.5 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -36.2 | 176.9 | -174.4 | 58.9 | 0 | 0 | 0 | 113 | K490 G1064 K1065 V1070 D1071 N1072 | K490-D1068 IonicContact NZ-OD1 3.07Å; K490-D1068 PolarHBondContact NZ-OD1 3.26Å; K490-D1068 IonicContact NZ-OD2 2.85Å; K490-D1068 PolarHBondContact NZ-OD2 3.04Å; G1064-D1068 VanDerWaalsContact O-CB 3.26Å; G1064-D1068 WeakPolarHBondContact O-CB 3.37Å; G1064-D1068 PolarHBondContact O-N 3.37Å; K1065-D1068 WeakPolarHBondContact O-CB 3.42Å; K1065-D1068 PolarHBondContact O-N 2.97Å; D1068-V1070 VanDerWaalsContact C-N 3.29Å; D1068-V1070 PolarHBondContact O-N 3.15Å; D1068-D1071 PolarHBondContact O-N 3.45Å; D1068-N1072 PolarHBondContact O-N 2.91Å; D1068-N1072 PolarHBondContact OD1-ND2 3.28Å |
| 1069 | M | 89.6 | Confident | 88.6 | Confident | 30 Ų | 30 | 29.4 Ų | 29.4 | 15% | 0.148 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -60.7 | -40.5 | 171.7 | -67.3 | -80.4 | 154.7 | 0 | 0 | 110.9 | K1065 D1066 I1067 L1073 L1074 H1246 | K1065-M1069 HydrophobicContact CG-CE 4.24Å; K1065-M1069 WeakPolarHBondContact O-CG 3.43Å; K1065-M1069 PolarHBondContact O-N 3.34Å; D1066-M1069 PolarHBondContact O-N 3.19Å; I1067-M1069 VanDerWaalsContact C-N 3.32Å; I1067-M1069 PolarHBondContact O-N 3.14Å; M1069-L1073 HydrophobicContact CE-CD1 3.66Å; M1069-L1073 PolarHBondContact O-N 3.21Å; M1069-L1073 HydrophobicContact SD-CB 4.4Å; M1069-L1073 HydrophobicContact SD-CD1 3.42Å; M1069-L1073 WeakPolarHBondContact SD-CD1 3.45Å; M1069-L1073 HydrophobicContact SD-CG 4.49Å; M1069-L1074 VanDerWaalsContact O-CB 3.28Å; M1069-L1074 WeakPolarHBondContact O-CB 3.39Å; M1069-L1074 PolarHBondContact O-N 3.26Å; M1069-H1246 PolarHBondContact SD-ND1 3.23Å; M1069-H1246 VanDerWaalsContact SD-ND1 3.41Å |
| 1070 | V | 92.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -71.7 | -30.7 | 175.8 | 174.8 | 0 | 0 | 0 | 0 | 112.4 | Y950 L1035 D1066 I1067 D1068 P1075 V1250 I1253 | Y950-V1070 HydrophobicContact CE2-CG1 4.11Å; L1035-V1070 HydrophobicContact CD1-CG1 4.06Å; D1066-V1070 WeakPolarHBondContact O-CG2 3.44Å; D1066-V1070 PolarHBondContact O-N 3.06Å; I1067-V1070 CarbonylContact O-C 3.46Å; I1067-V1070 WeakPolarHBondContact O-CA 3.4Å; I1067-V1070 WeakPolarHBondContact O-CB 3.28Å; I1067-V1070 PolarHBondContact O-N 3.29Å; I1067-V1070 VanDerWaalsContact O-N 3.09Å; D1068-V1070 VanDerWaalsContact C-N 3.29Å; D1068-V1070 PolarHBondContact O-N 3.15Å; V1070-P1075 WeakPolarHBondContact O-CD 3.23Å; V1070-P1075 VanDerWaalsContact O-CG 3.27Å; V1070-P1075 WeakPolarHBondContact O-CG 3.46Å; V1070-V1250 HydrophobicContact CG2-CG2 3.67Å; V1070-I1253 HydrophobicContact CG2-CD1 4.06Å |
| 1071 | D | 91.6 | Very high | 89 | Confident | 15 Ų | 15 | 29.9 Ų | 29.9 | 8% | 0.08 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -75.5 | -44 | 179.9 | -76.9 | -22.6 | 0 | 0 | 0 | 113.3 | R537 L544 S1032 I1067 D1068 | R537-D1071 IonicContact CZ-OD1 3.33Å; R537-D1071 IonicContact CZ-OD2 3.11Å; R537-D1071 IonicContact NH1-OD2 3.78Å; R537-D1071 PolarHBondContact NH1-OD2 3.02Å; R537-D1071 IonicContact NH2-OD1 3.98Å; R537-D1071 PolarHBondContact NH2-OD1 3.18Å; R537-D1071 IonicContact NH2-OD2 3.33Å; R537-D1071 PolarHBondContact NH2-OD2 2.96Å; L544-D1071 HydrophobicContact CD1-CB 4.12Å; S1032-D1071 WeakPolarHBondContact CB-OD1 3.49Å; S1032-D1071 PolarHBondContact OG-OD1 3.47Å; I1067-D1071 PolarHBondContact O-N 3.49Å; D1068-D1071 PolarHBondContact O-N 3.45Å |
| 1072 | N | 86.3 | Confident | 89.2 | Confident | 32 Ų | 32 | 29.5 Ų | 29.5 | 17% | 0.171 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -117.3 | -55 | -165.8 | -70.3 | -48 | 0 | 0 | 0 | 113.3 | D1068 N1076 | D1068-N1072 PolarHBondContact O-N 2.91Å; D1068-N1072 PolarHBondContact OD1-ND2 3.28Å; N1072-N1076 WeakPolarHBondContact O-CB 3.4Å; N1072-N1076 PolarHBondContact O-N 3.49Å; N1072-N1076 PolarHBondContact O-ND2 3.39Å; N1072-N1076 VanDerWaalsContact O-ND2 3.15Å |
| 1073 | L | 87.2 | Confident | 89.2 | Confident | 70 Ų | 70 | 31.2 Ų | 31.2 | 37% | 0.366 | 16% | 0.161 | S | C | . | . | I | π-helix | trans | -81.3 | -43.3 | -168.5 | -69.1 | 172.6 | 0 | 0 | 0 | 113.2 | M1069 N1076 N1077 | M1069-L1073 HydrophobicContact CE-CD1 3.66Å; M1069-L1073 PolarHBondContact O-N 3.21Å; M1069-L1073 HydrophobicContact SD-CB 4.4Å; M1069-L1073 HydrophobicContact SD-CD1 3.42Å; M1069-L1073 WeakPolarHBondContact SD-CD1 3.45Å; M1069-L1073 HydrophobicContact SD-CG 4.49Å; L1073-N1076 PolarHBondContact O-N 2.94Å; L1073-N1077 WeakPolarHBondContact O-CB 3.3Å; L1073-N1077 PolarHBondContact O-N 3.28Å; L1073-N1077 PolarHBondContact O-ND2 3.01Å |
| 1074 | L | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -45.5 | 178.5 | -178.6 | 65.7 | 0 | 0 | 0 | 111.6 | Y950 M1069 N1076 N1077 I1078 V1243 H1246 I1247 V1250 | Y950-L1074 HydrophobicContact CD1-CD2 4.48Å; Y950-L1074 HydrophobicContact CD2-CD2 4.24Å; Y950-L1074 HydrophobicContact CE1-CD2 4.02Å; Y950-L1074 HydrophobicContact CE1-CG 4.45Å; Y950-L1074 HydrophobicContact CE2-CD2 3.77Å; M1069-L1074 VanDerWaalsContact O-CB 3.28Å; M1069-L1074 WeakPolarHBondContact O-CB 3.39Å; M1069-L1074 PolarHBondContact O-N 3.26Å; L1074-N1076 PolarHBondContact O-N 3Å; L1074-N1077 PolarHBondContact O-N 2.79Å; L1074-I1078 HydrophobicContact CD1-CD1 3.8Å; L1074-I1078 HydrophobicContact CD1-CG1 4.12Å; L1074-I1078 HydrophobicContact CG-CD1 3.8Å; L1074-I1078 HydrophobicContact CG-CG1 4.46Å; L1074-I1078 VanDerWaalsContact O-CG1 3.32Å; L1074-I1078 WeakPolarHBondContact O-CG1 3.3Å; L1074-I1078 PolarHBondContact O-N 2.96Å; L1074-V1243 HydrophobicContact CD1-CG1 4.46Å; L1074-H1246 HydrophobicContact CB-CB 4.44Å; L1074-H1246 HydrophobicContact CD1-CB 4.2Å; L1074-I1247 HydrophobicContact CD1-CD1 4.41Å; L1074-I1247 HydrophobicContact CD2-CD1 3.95Å; L1074-V1250 HydrophobicContact CD2-CG2 4.03Å |
| 1075 | P | 90.1 | Very high | 89 | Confident | 18 Ų | 18 | 34 Ų | 34 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 173.2 | -31.8 | 41.1 | 0 | 0 | 0 | 114.3 | M1028 V1070 N1077 I1078 R1079 | M1028-P1075 HydrophobicContact CB-CB 4.36Å; M1028-P1075 HydrophobicContact CB-CG 4.1Å; M1028-P1075 HydrophobicContact CG-CB 4.49Å; M1028-P1075 HydrophobicContact CG-CG 4.47Å; M1028-P1075 WeakPolarHBondContact SD-CA 3.49Å; M1028-P1075 HydrophobicContact SD-CB 3.43Å; M1028-P1075 WeakPolarHBondContact SD-CB 3.23Å; M1028-P1075 HydrophobicContact SD-CG 3.95Å; V1070-P1075 WeakPolarHBondContact O-CD 3.23Å; V1070-P1075 VanDerWaalsContact O-CG 3.27Å; V1070-P1075 WeakPolarHBondContact O-CG 3.46Å; P1075-N1077 PolarHBondContact O-N 3.46Å; P1075-I1078 PolarHBondContact O-N 3.14Å; P1075-R1079 WeakPolarHBondContact O-CB 3.47Å; P1075-R1079 PolarHBondContact O-N 3Å |
| 1076 | N | 87 | Confident | 89.2 | Confident | 70 Ų | 70 | 29.4 Ų | 29.4 | 37% | 0.374 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 179.4 | -81.1 | -26.7 | 0 | 0 | 0 | 112.3 | N1072 L1073 L1074 R1079 G1080 | N1072-N1076 WeakPolarHBondContact O-CB 3.4Å; N1072-N1076 PolarHBondContact O-N 3.49Å; N1072-N1076 PolarHBondContact O-ND2 3.39Å; N1072-N1076 VanDerWaalsContact O-ND2 3.15Å; L1073-N1076 PolarHBondContact O-N 2.94Å; L1074-N1076 PolarHBondContact O-N 3Å; N1076-R1079 PolarHBondContact OD1-NH2 3.27Å; N1076-G1080 PolarHBondContact O-N 3.16Å |
| 1077 | N | 89.1 | Confident | 89 | Confident | 27 Ų | 27 | 33.1 Ų | 33.1 | 14% | 0.144 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.5 | -39.3 | 177.8 | -73.5 | -46.7 | 0 | 0 | 0 | 112.5 | L1073 L1074 P1075 G1080 L1081 I1239 V1243 H1246 | L1073-N1077 WeakPolarHBondContact O-CB 3.3Å; L1073-N1077 PolarHBondContact O-N 3.28Å; L1073-N1077 PolarHBondContact O-ND2 3.01Å; L1074-N1077 PolarHBondContact O-N 2.79Å; P1075-N1077 PolarHBondContact O-N 3.46Å; N1077-G1080 PolarHBondContact O-N 3.4Å; N1077-L1081 WeakPolarHBondContact O-CB 2.97Å; N1077-L1081 PolarHBondContact O-N 2.71Å; N1077-I1239 HydrophobicContact CB-CG2 4.23Å; N1077-I1239 WeakPolarHBondContact O-CG2 3.34Å; N1077-V1243 HydrophobicContact CB-CG2 3.83Å; N1077-H1246 PolarHBondContact ND2-CD2 2.94Å; N1077-H1246 PolarHBondContact ND2-NE2 2.87Å |
| 1078 | I | 90.9 | Very high | 88.8 | Confident | 29 Ų | 29 | 34 Ų | 34 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 175.9 | -68.7 | 170.3 | 0 | 0 | 0 | 110.9 | Y950 M1024 M1028 L1074 P1075 L1081 M1082 V1243 | Y950-I1078 HydrophobicContact CD1-CD1 4.25Å; Y950-I1078 HydrophobicContact CE1-CD1 3.51Å; M1024-I1078 HydrophobicContact SD-CG2 4.34Å; M1028-I1078 HydrophobicContact CE-CB 3.65Å; M1028-I1078 HydrophobicContact CE-CD1 4.01Å; M1028-I1078 HydrophobicContact CE-CG1 4.44Å; M1028-I1078 HydrophobicContact CE-CG2 3.42Å; M1028-I1078 VanDerWaalsContact CE-CG2 3.42Å; L1074-I1078 HydrophobicContact CD1-CD1 3.8Å; L1074-I1078 HydrophobicContact CD1-CG1 4.12Å; L1074-I1078 HydrophobicContact CG-CD1 3.8Å; L1074-I1078 HydrophobicContact CG-CG1 4.46Å; L1074-I1078 VanDerWaalsContact O-CG1 3.32Å; L1074-I1078 WeakPolarHBondContact O-CG1 3.3Å; L1074-I1078 PolarHBondContact O-N 2.96Å; P1075-I1078 PolarHBondContact O-N 3.14Å; I1078-L1081 WeakPolarHBondContact O-CB 3.3Å; I1078-L1081 PolarHBondContact O-N 3.44Å; I1078-M1082 WeakPolarHBondContact O-CG 3.4Å; I1078-M1082 PolarHBondContact O-N 3.41Å; I1078-V1243 HydrophobicContact CG1-CG2 4.29Å |
| 1079 | R | 87.4 | Confident | 88.8 | Confident | 61 Ų | 61 | 36.9 Ų | 36.9 | 23% | 0.23 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | 173.7 | 178.7 | 174.6 | 54.6 | 109.5 | 0.1 | 111.4 | T555 M1024 P1075 N1076 L1081 M1082 N1083 | T555-R1079 PolarHBondContact OG1-NH1 3.2Å; M1024-R1079 HydrophobicContact SD-CB 4.06Å; P1075-R1079 WeakPolarHBondContact O-CB 3.47Å; P1075-R1079 PolarHBondContact O-N 3Å; N1076-R1079 PolarHBondContact OD1-NH2 3.27Å; R1079-L1081 VanDerWaalsContact C-N 3.28Å; R1079-L1081 PolarHBondContact O-N 3.13Å; R1079-M1082 PolarHBondContact O-N 2.84Å; R1079-N1083 PolarHBondContact O-N 2.84Å; R1079-N1083 PolarHBondContact O-OD1 3.2Å |
| 1080 | G | 87.3 | Confident | 88.8 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.1 | -39.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1076 N1077 N1083 T1084 | N1076-G1080 PolarHBondContact O-N 3.16Å; N1077-G1080 PolarHBondContact O-N 3.4Å; G1080-N1083 PolarHBondContact O-N 3.08Å; G1080-T1084 WeakPolarHBondContact O-CB 3.03Å; G1080-T1084 VanDerWaalsContact O-CG2 3.28Å; G1080-T1084 WeakPolarHBondContact O-CG2 3.16Å; G1080-T1084 PolarHBondContact O-N 3.41Å; G1080-T1084 PolarHBondContact O-OG1 2.85Å |
| 1081 | L | 88.8 | Confident | 88.5 | Confident | 29 Ų | 29 | 35.9 Ų | 35.9 | 15% | 0.152 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | 176 | -172.4 | 64.6 | 0 | 0 | 0 | 111.3 | N1077 I1078 R1079 N1083 T1084 V1085 V1236 I1239 V1243 | N1077-L1081 WeakPolarHBondContact O-CB 2.97Å; N1077-L1081 PolarHBondContact O-N 2.71Å; I1078-L1081 WeakPolarHBondContact O-CB 3.3Å; I1078-L1081 PolarHBondContact O-N 3.44Å; R1079-L1081 VanDerWaalsContact C-N 3.28Å; R1079-L1081 PolarHBondContact O-N 3.13Å; L1081-N1083 PolarHBondContact O-N 3.2Å; L1081-T1084 WeakPolarHBondContact CA-OG1 3.49Å; L1081-T1084 PolarHBondContact O-N 3.36Å; L1081-T1084 PolarHBondContact O-OG1 3.03Å; L1081-V1085 HydrophobicContact CD1-CG2 3.86Å; L1081-V1085 HydrophobicContact CG-CG2 4.09Å; L1081-V1085 VanDerWaalsContact O-CB 3.22Å; L1081-V1085 WeakPolarHBondContact O-CB 3.31Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.43Å; L1081-V1085 PolarHBondContact O-N 3.04Å; L1081-V1236 HydrophobicContact CD1-CG1 4.47Å; L1081-I1239 HydrophobicContact CB-CG2 3.75Å; L1081-I1239 HydrophobicContact CD1-CG2 4.3Å; L1081-V1243 HydrophobicContact CD2-CG2 4.42Å |
| 1082 | M | 88.4 | Confident | 88.4 | Confident | 53 Ų | 53 | 36.7 Ų | 36.7 | 26% | 0.261 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.5 | -69 | -57.9 | 104.6 | 0 | 0 | 111.6 | Y966 M1024 I1078 R1079 T1086 | Y966-M1082 HydrophobicContact CD1-CB 4.19Å; Y966-M1082 HydrophobicContact CD2-CB 4.3Å; Y966-M1082 HydrophobicContact CE1-CB 3.86Å; Y966-M1082 HydrophobicContact CE2-CB 4Å; Y966-M1082 HydrophobicContact CG-CB 4.39Å; M1024-M1082 HydrophobicContact CE-CB 4.12Å; M1024-M1082 HydrophobicContact CE-CG 3.57Å; I1078-M1082 WeakPolarHBondContact O-CG 3.4Å; I1078-M1082 PolarHBondContact O-N 3.41Å; R1079-M1082 PolarHBondContact O-N 2.84Å; M1082-T1086 VanDerWaalsContact O-CB 3.25Å; M1082-T1086 WeakPolarHBondContact O-CB 3.44Å; M1082-T1086 PolarHBondContact O-N 3.42Å; M1082-T1086 PolarHBondContact O-OG1 3.36Å |
| 1083 | N | 86.3 | Confident | 88.6 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 177 | -71.5 | 5 | 0 | 0 | 0 | 111.6 | Y966 R1079 G1080 L1081 T1086 Q1087 | Y966-N1083 WeakPolarHBondContact CE1-OD1 3.05Å; Y966-N1083 PolarHBondContact OH-OD1 3.4Å; R1079-N1083 PolarHBondContact O-N 2.84Å; R1079-N1083 PolarHBondContact O-OD1 3.2Å; G1080-N1083 PolarHBondContact O-N 3.08Å; L1081-N1083 PolarHBondContact O-N 3.2Å; N1083-T1086 PolarHBondContact O-N 3.44Å; N1083-Q1087 WeakPolarHBondContact O-CB 3.39Å; N1083-Q1087 PolarHBondContact O-N 3.09Å |
| 1084 | T | 87.4 | Confident | 88.6 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.5 | -38.3 | -176.1 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | G1080 L1081 Q1087 V1088 W1235 I1239 | G1080-T1084 WeakPolarHBondContact O-CB 3.03Å; G1080-T1084 VanDerWaalsContact O-CG2 3.28Å; G1080-T1084 WeakPolarHBondContact O-CG2 3.16Å; G1080-T1084 PolarHBondContact O-N 3.41Å; G1080-T1084 PolarHBondContact O-OG1 2.85Å; L1081-T1084 WeakPolarHBondContact CA-OG1 3.49Å; L1081-T1084 PolarHBondContact O-N 3.36Å; L1081-T1084 PolarHBondContact O-OG1 3.03Å; T1084-Q1087 PolarHBondContact O-N 3Å; T1084-V1088 WeakPolarHBondContact O-CG2 3.38Å; T1084-V1088 PolarHBondContact O-N 3.39Å; T1084-W1235 HydrophobicContact CG2-CB 3.91Å; T1084-I1239 HydrophobicContact CG2-CD1 4.06Å |
| 1085 | V | 88.9 | Confident | 88.5 | Confident | 50 Ų | 50 | 34.2 Ų | 34.2 | 30% | 0.303 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.7 | -44.1 | 173.6 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | L1081 Q1087 V1088 I1089 V1236 | L1081-V1085 HydrophobicContact CD1-CG2 3.86Å; L1081-V1085 HydrophobicContact CG-CG2 4.09Å; L1081-V1085 VanDerWaalsContact O-CB 3.22Å; L1081-V1085 WeakPolarHBondContact O-CB 3.31Å; L1081-V1085 WeakPolarHBondContact O-CG2 3.43Å; L1081-V1085 PolarHBondContact O-N 3.04Å; V1085-Q1087 VanDerWaalsContact C-N 3.31Å; V1085-Q1087 PolarHBondContact O-N 3.28Å; V1085-V1088 PolarHBondContact O-N 2.85Å; V1085-I1089 HydrophobicContact CG1-CD1 3.7Å; V1085-I1089 HydrophobicContact CG1-CG1 4.36Å; V1085-I1089 VanDerWaalsContact O-CG1 3.29Å; V1085-I1089 WeakPolarHBondContact O-CG1 3.47Å; V1085-I1089 PolarHBondContact O-N 3.41Å; V1085-V1236 HydrophobicContact CG2-CG2 4.42Å |
| 1086 | T | 88.2 | Confident | 88.3 | Confident | 25 Ų | 25 | 36.6 Ų | 36.6 | 15% | 0.153 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 175 | -56 | 0 | 0 | 0 | 0 | 110.5 | Y966 M1082 N1083 I1089 T1090 | Y966-T1086 WeakPolarHBondContact CD1-OG1 3.46Å; M1082-T1086 VanDerWaalsContact O-CB 3.25Å; M1082-T1086 WeakPolarHBondContact O-CB 3.44Å; M1082-T1086 PolarHBondContact O-N 3.42Å; M1082-T1086 PolarHBondContact O-OG1 3.36Å; N1083-T1086 PolarHBondContact O-N 3.44Å; T1086-I1089 PolarHBondContact O-N 3.48Å; T1086-T1090 VanDerWaalsContact O-CB 3.29Å; T1086-T1090 WeakPolarHBondContact O-CB 3.35Å; T1086-T1090 PolarHBondContact O-N 2.96Å; T1086-T1090 PolarHBondContact O-OG1 2.84Å; T1086-T1090 VanDerWaalsContact O-OG1 3.11Å |
| 1087 | Q | 88 | Confident | 88.2 | Confident | 82 Ų | 82 | 38.6 Ų | 38.6 | 38% | 0.383 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60 | -46.7 | 175.8 | -174.8 | -178.5 | 5.4 | 0 | 0 | 112.5 | N1083 T1084 V1085 T1090 T1091 A1232 | N1083-Q1087 WeakPolarHBondContact O-CB 3.39Å; N1083-Q1087 PolarHBondContact O-N 3.09Å; T1084-Q1087 PolarHBondContact O-N 3Å; V1085-Q1087 VanDerWaalsContact C-N 3.31Å; V1085-Q1087 PolarHBondContact O-N 3.28Å; Q1087-T1090 PolarHBondContact O-N 3.23Å; Q1087-T1091 WeakPolarHBondContact O-CB 3.28Å; Q1087-T1091 PolarHBondContact O-N 3Å; Q1087-T1091 PolarHBondContact O-OG1 3.09Å; Q1087-A1232 HydrophobicContact CG-CB 4.42Å |
| 1088 | V | 89.1 | Confident | 87.8 | Confident | 19 Ų | 19 | 38.2 Ų | 38.2 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 178.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | T1084 V1085 T1091 L1092 A1232 L1233 V1236 | T1084-V1088 WeakPolarHBondContact O-CG2 3.38Å; T1084-V1088 PolarHBondContact O-N 3.39Å; V1085-V1088 PolarHBondContact O-N 2.85Å; V1088-T1091 PolarHBondContact O-N 2.81Å; V1088-L1092 HydrophobicContact CG1-CD1 3.81Å; V1088-L1092 HydrophobicContact CG1-CG 4.38Å; V1088-L1092 WeakPolarHBondContact O-CB 3.39Å; V1088-L1092 VanDerWaalsContact O-CG 3.27Å; V1088-L1092 WeakPolarHBondContact O-CG 3.2Å; V1088-L1092 PolarHBondContact O-N 3.05Å; V1088-A1232 HydrophobicContact CG2-CB 3.7Å; V1088-L1233 HydrophobicContact CG1-CD2 4.24Å; V1088-L1233 HydrophobicContact CG2-CD2 4.3Å; V1088-V1236 HydrophobicContact CG2-CG2 4.05Å |
| 1089 | I | 89.7 | Confident | 87.4 | Confident | 89 Ų | 89 | 37.3 Ų | 37.3 | 46% | 0.456 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 177.7 | -67.3 | 169.2 | 0 | 0 | 0 | 110 | V1085 T1086 T1091 L1092 V1093 | V1085-I1089 HydrophobicContact CG1-CD1 3.7Å; V1085-I1089 HydrophobicContact CG1-CG1 4.36Å; V1085-I1089 VanDerWaalsContact O-CG1 3.29Å; V1085-I1089 WeakPolarHBondContact O-CG1 3.47Å; V1085-I1089 PolarHBondContact O-N 3.41Å; T1086-I1089 PolarHBondContact O-N 3.48Å; I1089-T1091 PolarHBondContact O-N 2.94Å; I1089-L1092 PolarHBondContact O-N 3.38Å; I1089-V1093 HydrophobicContact CG2-CG2 4.2Å; I1089-V1093 WeakPolarHBondContact O-CB 3.48Å; I1089-V1093 VanDerWaalsContact O-CG2 3.22Å; I1089-V1093 WeakPolarHBondContact O-CG2 3.41Å; I1089-V1093 PolarHBondContact O-N 2.95Å |
| 1090 | T | 89.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 39.1 Ų | 39.1 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.5 | -48.1 | 177.4 | -71 | 0 | 0 | 0 | 0 | 111.5 | G970 T973 I974 T1086 Q1087 L1092 V1093 I1094 | G970-T1090 WeakPolarHBondContact CA-OG1 3.25Å; T973-T1090 HydrophobicContact CG2-CG2 3.79Å; I974-T1090 HydrophobicContact CG1-CG2 3.86Å; T1086-T1090 VanDerWaalsContact O-CB 3.29Å; T1086-T1090 WeakPolarHBondContact O-CB 3.35Å; T1086-T1090 PolarHBondContact O-N 2.96Å; T1086-T1090 PolarHBondContact O-OG1 2.84Å; T1086-T1090 VanDerWaalsContact O-OG1 3.11Å; Q1087-T1090 PolarHBondContact O-N 3.23Å; T1090-L1092 PolarHBondContact O-N 3.27Å; T1090-V1093 PolarHBondContact O-N 3.36Å; T1090-I1094 HydrophobicContact CG2-CD1 3.72Å; T1090-I1094 HydrophobicContact CG2-CG1 4.4Å; T1090-I1094 VanDerWaalsContact O-CG1 3.26Å; T1090-I1094 WeakPolarHBondContact O-CG1 3.22Å; T1090-I1094 PolarHBondContact O-N 3.16Å |
| 1091 | T | 88.3 | Confident | 86.8 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 177.4 | -67 | 0 | 0 | 0 | 0 | 112 | Q1087 V1088 I1089 I1094 I1095 Y1225 I1229 | Q1087-T1091 WeakPolarHBondContact O-CB 3.28Å; Q1087-T1091 PolarHBondContact O-N 3Å; Q1087-T1091 PolarHBondContact O-OG1 3.09Å; V1088-T1091 PolarHBondContact O-N 2.81Å; I1089-T1091 PolarHBondContact O-N 2.94Å; T1091-I1094 PolarHBondContact O-N 3Å; T1091-I1095 HydrophobicContact CG2-CD1 3.96Å; T1091-I1095 VanDerWaalsContact O-CG1 3.29Å; T1091-I1095 WeakPolarHBondContact O-CG1 3.34Å; T1091-I1095 PolarHBondContact O-N 2.89Å; T1091-I1095 VanDerWaalsContact O-N 3.1Å; T1091-Y1225 WeakPolarHBondContact CG2-O 3.3Å; T1091-I1229 HydrophobicContact CG2-CB 4.07Å; T1091-I1229 HydrophobicContact CG2-CD1 3.98Å; T1091-I1229 HydrophobicContact CG2-CG1 4.09Å |
| 1092 | L | 88.4 | Confident | 86.6 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 17% | 0.173 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 178.1 | -73.2 | 170.6 | 0 | 0 | 0 | 111.6 | V1088 I1089 T1090 I1095 M1096 V1106 M1197 I1229 | V1088-L1092 HydrophobicContact CG1-CD1 3.81Å; V1088-L1092 HydrophobicContact CG1-CG 4.38Å; V1088-L1092 WeakPolarHBondContact O-CB 3.39Å; V1088-L1092 VanDerWaalsContact O-CG 3.27Å; V1088-L1092 WeakPolarHBondContact O-CG 3.2Å; V1088-L1092 PolarHBondContact O-N 3.05Å; I1089-L1092 PolarHBondContact O-N 3.38Å; T1090-L1092 PolarHBondContact O-N 3.27Å; L1092-I1095 PolarHBondContact O-N 3.17Å; L1092-M1096 HydrophobicContact CB-CE 4.31Å; L1092-M1096 WeakPolarHBondContact O-CB 3.42Å; L1092-M1096 WeakPolarHBondContact O-CE 3.3Å; L1092-M1096 VanDerWaalsContact O-CG 3.24Å; L1092-M1096 WeakPolarHBondContact O-CG 3.48Å; L1092-M1096 PolarHBondContact O-N 3.37Å; L1092-V1106 HydrophobicContact CD1-CG1 4.38Å; L1092-V1106 HydrophobicContact CD2-CG1 3.89Å; L1092-V1106 HydrophobicContact CD2-CG2 3.75Å; L1092-M1197 HydrophobicContact CD2-CE 3.5Å; L1092-M1197 HydrophobicContact CD2-SD 4.25Å; L1092-I1229 HydrophobicContact CD2-CD1 4.08Å; L1092-I1229 HydrophobicContact CG-CD1 4.22Å |
| 1093 | V | 89.7 | Confident | 86.4 | Confident | 46 Ų | 46 | 39 Ų | 39 | 28% | 0.279 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 178.5 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | I974 I1089 T1090 I1095 M1096 I1097 | I974-V1093 HydrophobicContact CD1-CB 4.21Å; I974-V1093 HydrophobicContact CD1-CG1 3.68Å; I1089-V1093 HydrophobicContact CG2-CG2 4.2Å; I1089-V1093 WeakPolarHBondContact O-CB 3.48Å; I1089-V1093 VanDerWaalsContact O-CG2 3.22Å; I1089-V1093 WeakPolarHBondContact O-CG2 3.41Å; I1089-V1093 PolarHBondContact O-N 2.95Å; T1090-V1093 PolarHBondContact O-N 3.36Å; V1093-I1095 VanDerWaalsContact C-N 3.34Å; V1093-I1095 PolarHBondContact O-N 3.5Å; V1093-M1096 HydrophobicContact CG2-CE 4.18Å; V1093-M1096 PolarHBondContact O-N 3.44Å; V1093-I1097 HydrophobicContact CG1-CD1 3.56Å; V1093-I1097 HydrophobicContact CG1-CG1 4.11Å; V1093-I1097 WeakPolarHBondContact O-CB 3.45Å; V1093-I1097 VanDerWaalsContact O-CG1 3.25Å; V1093-I1097 WeakPolarHBondContact O-CG1 3.45Å; V1093-I1097 PolarHBondContact O-N 3.46Å |
| 1094 | I | 88.9 | Confident | 86.5 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 175.6 | -71.2 | 168.4 | 0 | 0 | 0 | 110.6 | I974 T1090 T1091 M1096 N1098 L1221 Y1225 | I974-I1094 HydrophobicContact CB-CG1 4.47Å; I974-I1094 HydrophobicContact CG1-CD1 4.39Å; I974-I1094 HydrophobicContact CG1-CG1 4Å; I974-I1094 HydrophobicContact CG2-CG1 4.3Å; T1090-I1094 HydrophobicContact CG2-CD1 3.72Å; T1090-I1094 HydrophobicContact CG2-CG1 4.4Å; T1090-I1094 VanDerWaalsContact O-CG1 3.26Å; T1090-I1094 WeakPolarHBondContact O-CG1 3.22Å; T1090-I1094 PolarHBondContact O-N 3.16Å; T1091-I1094 PolarHBondContact O-N 3Å; I1094-M1096 PolarHBondContact O-N 3.31Å; I1094-N1098 PolarHBondContact O-N 2.87Å; I1094-N1098 PolarHBondContact O-ND2 3.41Å; I1094-L1221 HydrophobicContact CG2-CD1 4.42Å; I1094-L1221 HydrophobicContact CG2-CD2 3.97Å; I1094-L1221 HydrophobicContact CG2-CG 3.91Å; I1094-Y1225 HydrophobicContact CD1-CD1 3.92Å; I1094-Y1225 HydrophobicContact CD1-CD2 4.1Å; I1094-Y1225 HydrophobicContact CD1-CE1 3.75Å; I1094-Y1225 HydrophobicContact CD1-CE2 3.94Å; I1094-Y1225 HydrophobicContact CD1-CG 4.09Å; I1094-Y1225 HydrophobicContact CG2-CD2 4.31Å; I1094-Y1225 HydrophobicContact CG2-CG 4.45Å |
| 1095 | I | 87 | Confident | 86.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 179.8 | -59.4 | 163.6 | 0 | 0 | 0 | 110.7 | T1091 L1092 V1093 N1098 M1099 F1102 M1197 A1226 | T1091-I1095 HydrophobicContact CG2-CD1 3.96Å; T1091-I1095 VanDerWaalsContact O-CG1 3.29Å; T1091-I1095 WeakPolarHBondContact O-CG1 3.34Å; T1091-I1095 PolarHBondContact O-N 2.89Å; T1091-I1095 VanDerWaalsContact O-N 3.1Å; L1092-I1095 PolarHBondContact O-N 3.17Å; V1093-I1095 VanDerWaalsContact C-N 3.34Å; V1093-I1095 PolarHBondContact O-N 3.5Å; I1095-N1098 PolarHBondContact O-N 3.31Å; I1095-M1099 HydrophobicContact CG2-SD 4.45Å; I1095-M1099 WeakPolarHBondContact O-CA 3.29Å; I1095-M1099 WeakPolarHBondContact O-CB 3.29Å; I1095-M1099 PolarHBondContact O-N 2.8Å; I1095-F1102 HydrophobicContact CB-CD1 4.11Å; I1095-F1102 HydrophobicContact CB-CE1 4.14Å; I1095-F1102 HydrophobicContact CD1-CE1 4.29Å; I1095-F1102 HydrophobicContact CD1-CZ 4.45Å; I1095-F1102 HydrophobicContact CG2-CB 4.16Å; I1095-F1102 HydrophobicContact CG2-CD1 3.32Å; I1095-F1102 HydrophobicContact CG2-CD2 3.94Å; I1095-F1102 HydrophobicContact CG2-CE1 3.5Å; I1095-F1102 VanDerWaalsContact CG2-CE1 3.5Å; I1095-F1102 HydrophobicContact CG2-CE2 4.1Å; I1095-F1102 HydrophobicContact CG2-CG 3.54Å; I1095-F1102 HydrophobicContact CG2-CZ 3.87Å; I1095-M1197 HydrophobicContact CD1-CE 3.69Å; I1095-A1226 HydrophobicContact CD1-CB 4Å |
| 1096 | M | 86.2 | Confident | 86.3 | Confident | 68 Ų | 68 | 41.3 Ų | 41.3 | 34% | 0.335 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.1 | -33.4 | -179.7 | -72.2 | -175.4 | -57.7 | 0 | 0 | 113.9 | L1092 V1093 I1094 N1098 M1099 S1100 F1102 | L1092-M1096 HydrophobicContact CB-CE 4.31Å; L1092-M1096 WeakPolarHBondContact O-CB 3.42Å; L1092-M1096 WeakPolarHBondContact O-CE 3.3Å; L1092-M1096 VanDerWaalsContact O-CG 3.24Å; L1092-M1096 WeakPolarHBondContact O-CG 3.48Å; L1092-M1096 PolarHBondContact O-N 3.37Å; V1093-M1096 HydrophobicContact CG2-CE 4.18Å; V1093-M1096 PolarHBondContact O-N 3.44Å; I1094-M1096 PolarHBondContact O-N 3.31Å; M1096-N1098 VanDerWaalsContact C-N 3.33Å; M1096-M1099 CarbonylContact O-C 3.59Å; M1096-M1099 VanDerWaalsContact O-C 3.25Å; M1096-S1100 WeakPolarHBondContact O-CA 3.45Å; M1096-S1100 PolarHBondContact O-N 3.42Å; M1096-F1102 HydrophobicContact CG-CD1 4.48Å |
| 1097 | I | 85 | Confident | 86.3 | Confident | 112 Ų | 112 | 45.6 Ų | 45.6 | 57% | 0.574 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 174.5 | -72.7 | 168.8 | 0 | 0 | 0 | 109.7 | I974 V1093 | I974-I1097 HydrophobicContact CG2-CD1 4.16Å; V1093-I1097 HydrophobicContact CG1-CD1 3.56Å; V1093-I1097 HydrophobicContact CG1-CG1 4.11Å; V1093-I1097 WeakPolarHBondContact O-CB 3.45Å; V1093-I1097 VanDerWaalsContact O-CG1 3.25Å; V1093-I1097 WeakPolarHBondContact O-CG1 3.45Å; V1093-I1097 PolarHBondContact O-N 3.46Å |
| 1098 | N | 79.8 | Confident | 86.3 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -79 | -29.1 | -179 | -63.4 | -19.7 | 0 | 0 | 0 | 112.5 | I1094 I1095 M1096 M1214 S1222 | I1094-N1098 PolarHBondContact O-N 2.87Å; I1094-N1098 PolarHBondContact O-ND2 3.41Å; I1095-N1098 PolarHBondContact O-N 3.31Å; M1096-N1098 VanDerWaalsContact C-N 3.33Å; N1098-M1214 HydrophobicContact CB-CE 3.9Å; N1098-S1222 WeakPolarHBondContact CB-OG 3.35Å; N1098-S1222 PolarHBondContact ND2-OG 3.48Å |
| 1099 | M | 82.3 | Confident | 86.3 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | trans | -136.9 | 86 | -177.8 | -57.2 | 177.4 | -166 | 0 | 0 | 110 | I1095 M1096 V1101 F1102 A1201 F1204 A1205 M1214 | I1095-M1099 HydrophobicContact CG2-SD 4.45Å; I1095-M1099 WeakPolarHBondContact O-CA 3.29Å; I1095-M1099 WeakPolarHBondContact O-CB 3.29Å; I1095-M1099 PolarHBondContact O-N 2.8Å; M1096-M1099 CarbonylContact O-C 3.59Å; M1096-M1099 VanDerWaalsContact O-C 3.25Å; M1099-V1101 PolarHBondContact O-N 3.12Å; M1099-F1102 HydrophobicContact CB-CB 3.86Å; M1099-F1102 WeakPolarHBondContact O-CB 3.48Å; M1099-F1102 PolarHBondContact O-N 3.19Å; M1099-A1201 WeakPolarHBondContact CE-O 3.34Å; M1099-F1204 HydrophobicContact SD-CB 3.98Å; M1099-A1205 HydrophobicContact CE-CB 3.66Å; M1099-M1214 HydrophobicContact CE-CE 3.48Å; M1099-M1214 VanDerWaalsContact CE-CE 3.48Å; M1099-M1214 HydrophobicContact CE-SD 3.68Å; M1099-M1214 HydrophobicContact CG-CE 3.77Å; M1099-M1214 HydrophobicContact CG-SD 3.62Å; M1099-M1214 HydrophobicContact SD-SD 4.33Å | ||
| 1100 | S | 81.1 | Confident | 86 | Confident | 100 Ų | 100 | 43.4 Ų | 43.4 | 70% | 0.699 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -36.2 | -177.5 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | M1096 F1102 G1103 | M1096-S1100 WeakPolarHBondContact O-CA 3.45Å; M1096-S1100 PolarHBondContact O-N 3.42Å; S1100-F1102 PolarHBondContact O-N 3.43Å; S1100-G1103 PolarHBondContact O-N 3.39Å |
| 1101 | V | 82.4 | Confident | 86 | Confident | 80 Ų | 80 | 47 Ų | 47 | 49% | 0.485 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -25.1 | 177.3 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | M1099 G1103 V1104 F1204 | M1099-V1101 PolarHBondContact O-N 3.12Å; V1101-G1103 PolarHBondContact O-N 3.02Å; V1101-V1104 WeakPolarHBondContact O-CB 3.42Å; V1101-V1104 PolarHBondContact O-N 3.15Å; V1101-V1104 VanDerWaalsContact O-N 3.07Å; V1101-F1204 HydrophobicContact CG1-CE1 4.3Å; V1101-F1204 HydrophobicContact CG1-CZ 4.49Å |
| 1102 | F | 84.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.3 | -25.7 | 179.6 | -170.5 | -97.7 | 0 | 0 | 0 | 112.8 | I1095 M1096 M1099 S1100 V1104 V1105 V1106 M1197 C1200 A1201 F1204 | I1095-F1102 HydrophobicContact CB-CD1 4.11Å; I1095-F1102 HydrophobicContact CB-CE1 4.14Å; I1095-F1102 HydrophobicContact CD1-CE1 4.29Å; I1095-F1102 HydrophobicContact CD1-CZ 4.45Å; I1095-F1102 HydrophobicContact CG2-CB 4.16Å; I1095-F1102 HydrophobicContact CG2-CD1 3.32Å; I1095-F1102 HydrophobicContact CG2-CD2 3.94Å; I1095-F1102 HydrophobicContact CG2-CE1 3.5Å; I1095-F1102 VanDerWaalsContact CG2-CE1 3.5Å; I1095-F1102 HydrophobicContact CG2-CE2 4.1Å; I1095-F1102 HydrophobicContact CG2-CG 3.54Å; I1095-F1102 HydrophobicContact CG2-CZ 3.87Å; M1096-F1102 HydrophobicContact CG-CD1 4.48Å; M1099-F1102 HydrophobicContact CB-CB 3.86Å; M1099-F1102 WeakPolarHBondContact O-CB 3.48Å; M1099-F1102 PolarHBondContact O-N 3.19Å; S1100-F1102 PolarHBondContact O-N 3.43Å; F1102-V1104 PolarHBondContact O-N 2.91Å; F1102-V1104 VanDerWaalsContact O-N 3.16Å; F1102-V1105 WeakPolarHBondContact O-CB 3.46Å; F1102-V1105 PolarHBondContact O-N 3.49Å; F1102-V1106 HydrophobicContact CD1-CG2 3.51Å; F1102-V1106 HydrophobicContact CE1-CG2 3.39Å; F1102-V1106 HydrophobicContact CZ-CG2 4.42Å; F1102-V1106 PolarHBondContact O-N 3.04Å; F1102-V1106 VanDerWaalsContact O-N 3.11Å; F1102-M1197 HydrophobicContact CE1-CE 3.73Å; F1102-M1197 HydrophobicContact CE1-CG 4.34Å; F1102-M1197 HydrophobicContact CE2-CG 4.44Å; F1102-M1197 HydrophobicContact CZ-CE 3.72Å; F1102-M1197 HydrophobicContact CZ-CG 3.54Å; F1102-M1197 HydrophobicContact CZ-SD 4.34Å; F1102-C1200 HydrophobicContact CE2-CB 4.02Å; F1102-A1201 HydrophobicContact CE2-CB 3.91Å; F1102-A1201 HydrophobicContact CZ-CB 4.42Å; F1102-F1204 HydrophobicContact CD2-CD2 4.12Å |
| 1103 | G | 84 | Confident | 85.8 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.5 | -32 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1100 V1101 V1105 V1106 I1107 | S1100-G1103 PolarHBondContact O-N 3.39Å; V1101-G1103 PolarHBondContact O-N 3.02Å; G1103-V1105 VanDerWaalsContact C-N 3.28Å; G1103-V1105 PolarHBondContact O-N 3.43Å; G1103-V1106 PolarHBondContact O-N 3.49Å; G1103-I1107 WeakPolarHBondContact O-CG1 3.31Å; G1103-I1107 PolarHBondContact O-N 3.26Å |
| 1104 | V | 87.7 | Confident | 85.5 | Confident | 104 Ų | 104 | 50.9 Ų | 50.9 | 63% | 0.63 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.5 | -31.9 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | V1101 F1102 P1108 | V1101-V1104 WeakPolarHBondContact O-CB 3.42Å; V1101-V1104 PolarHBondContact O-N 3.15Å; V1101-V1104 VanDerWaalsContact O-N 3.07Å; F1102-V1104 PolarHBondContact O-N 2.91Å; F1102-V1104 VanDerWaalsContact O-N 3.16Å; V1104-P1108 WeakPolarHBondContact O-CD 3.44Å; V1104-P1108 WeakPolarHBondContact O-CG 3.35Å |
| 1105 | V | 85.9 | Confident | 85.3 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -80.1 | -33.6 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | F1102 G1103 I1107 P1108 L1109 C1200 F1204 | F1102-V1105 WeakPolarHBondContact O-CB 3.46Å; F1102-V1105 PolarHBondContact O-N 3.49Å; G1103-V1105 VanDerWaalsContact C-N 3.28Å; G1103-V1105 PolarHBondContact O-N 3.43Å; V1105-I1107 PolarHBondContact O-N 3.01Å; V1105-P1108 VanDerWaalsContact O-CD 3.27Å; V1105-P1108 WeakPolarHBondContact O-CD 3.07Å; V1105-P1108 WeakPolarHBondContact O-CG 3.12Å; V1105-L1109 HydrophobicContact CG1-CD1 3.66Å; V1105-L1109 HydrophobicContact CG1-CG 4.3Å; V1105-L1109 VanDerWaalsContact O-CG 3.29Å; V1105-L1109 WeakPolarHBondContact O-CG 3.26Å; V1105-L1109 PolarHBondContact O-N 2.92Å; V1105-C1200 HydrophobicContact CG1-CB 3.99Å; V1105-F1204 HydrophobicContact CG2-CE2 3.66Å; V1105-F1204 HydrophobicContact CG2-CZ 4.12Å |
| 1106 | V | 85.9 | Confident | 85.1 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 14% | 0.139 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | -180 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | L1092 F1102 G1103 L1109 A1110 | L1092-V1106 HydrophobicContact CD1-CG1 4.38Å; L1092-V1106 HydrophobicContact CD2-CG1 3.89Å; L1092-V1106 HydrophobicContact CD2-CG2 3.75Å; F1102-V1106 HydrophobicContact CD1-CG2 3.51Å; F1102-V1106 HydrophobicContact CE1-CG2 3.39Å; F1102-V1106 HydrophobicContact CZ-CG2 4.42Å; F1102-V1106 PolarHBondContact O-N 3.04Å; F1102-V1106 VanDerWaalsContact O-N 3.11Å; G1103-V1106 PolarHBondContact O-N 3.49Å; V1106-L1109 PolarHBondContact O-N 2.66Å; V1106-A1110 VanDerWaalsContact O-CB 3.25Å; V1106-A1110 WeakPolarHBondContact O-CB 3.36Å; V1106-A1110 PolarHBondContact O-N 3.47Å |
| 1107 | I | 88.2 | Confident | 84.8 | Confident | 116 Ų | 116 | 55.8 Ų | 55.8 | 60% | 0.595 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.7 | -56.3 | -177.4 | -64.2 | 166.1 | 0 | 0 | 0 | 112.9 | G1103 V1105 L1109 A1110 V1111 | G1103-I1107 WeakPolarHBondContact O-CG1 3.31Å; G1103-I1107 PolarHBondContact O-N 3.26Å; V1105-I1107 PolarHBondContact O-N 3.01Å; I1107-L1109 VanDerWaalsContact C-N 3.34Å; I1107-L1109 PolarHBondContact O-N 3.19Å; I1107-A1110 PolarHBondContact O-N 3.01Å; I1107-V1111 WeakPolarHBondContact O-CG2 3.34Å; I1107-V1111 PolarHBondContact O-N 3.32Å |
| 1108 | P | 89.2 | Confident | 84.5 | Confident | 71 Ų | 71 | 56.7 Ų | 56.7 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | 180 | 24.8 | -33.7 | 0 | 0 | 0 | 112.6 | V1104 V1105 V1111 L1112 | V1104-P1108 WeakPolarHBondContact O-CD 3.44Å; V1104-P1108 WeakPolarHBondContact O-CG 3.35Å; V1105-P1108 VanDerWaalsContact O-CD 3.27Å; V1105-P1108 WeakPolarHBondContact O-CD 3.07Å; V1105-P1108 WeakPolarHBondContact O-CG 3.12Å; P1108-V1111 PolarHBondContact O-N 3.49Å; P1108-L1112 WeakPolarHBondContact O-CB 3.5Å; P1108-L1112 PolarHBondContact O-N 3.46Å |
| 1109 | L | 87.2 | Confident | 84.5 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 176.1 | -64.5 | 178.3 | 0 | 0 | 0 | 111.7 | V1105 V1106 I1107 L1112 Y1113 I1193 I1196 M1197 | V1105-L1109 HydrophobicContact CG1-CD1 3.66Å; V1105-L1109 HydrophobicContact CG1-CG 4.3Å; V1105-L1109 VanDerWaalsContact O-CG 3.29Å; V1105-L1109 WeakPolarHBondContact O-CG 3.26Å; V1105-L1109 PolarHBondContact O-N 2.92Å; V1106-L1109 PolarHBondContact O-N 2.66Å; I1107-L1109 VanDerWaalsContact C-N 3.34Å; I1107-L1109 PolarHBondContact O-N 3.19Å; L1109-L1112 PolarHBondContact O-N 2.93Å; L1109-Y1113 VanDerWaalsContact O-CB 3.3Å; L1109-Y1113 WeakPolarHBondContact O-CB 3.25Å; L1109-Y1113 PolarHBondContact O-N 3.37Å; L1109-I1193 HydrophobicContact CB-CG2 4.28Å; L1109-I1193 HydrophobicContact CD2-CG2 4.17Å; L1109-I1196 HydrophobicContact CD2-CG2 4.37Å; L1109-M1197 HydrophobicContact CD1-CB 3.99Å; L1109-M1197 HydrophobicContact CD1-CG 4.27Å |
| 1110 | A | 84.8 | Confident | 84.4 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 40% | 0.397 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1106 I1107 Y1113 V1114 | V1106-A1110 VanDerWaalsContact O-CB 3.25Å; V1106-A1110 WeakPolarHBondContact O-CB 3.36Å; V1106-A1110 PolarHBondContact O-N 3.47Å; I1107-A1110 PolarHBondContact O-N 3.01Å; A1110-Y1113 PolarHBondContact O-N 2.68Å; A1110-V1114 WeakPolarHBondContact O-CG2 3.45Å; A1110-V1114 PolarHBondContact O-N 3.19Å |
| 1111 | V | 88.8 | Confident | 84.1 | Confident | 82 Ų | 82 | 52.9 Ų | 52.9 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 174.3 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | I1107 P1108 Y1113 V1114 L1115 | I1107-V1111 WeakPolarHBondContact O-CG2 3.34Å; I1107-V1111 PolarHBondContact O-N 3.32Å; P1108-V1111 PolarHBondContact O-N 3.49Å; V1111-Y1113 VanDerWaalsContact C-N 3.33Å; V1111-Y1113 PolarHBondContact O-N 3.33Å; V1111-V1114 PolarHBondContact O-N 2.85Å; V1111-L1115 HydrophobicContact CG1-CD1 4.07Å; V1111-L1115 HydrophobicContact CG1-CG 4.44Å; V1111-L1115 VanDerWaalsContact O-CG 3.31Å; V1111-L1115 WeakPolarHBondContact O-CG 3.43Å; V1111-L1115 PolarHBondContact O-N 3.41Å |
| 1112 | L | 87.1 | Confident | 83.9 | Confident | 79 Ų | 79 | 50 Ų | 50 | 41% | 0.414 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 177.6 | -179.7 | 62.6 | 0 | 0 | 0 | 111.6 | P1108 L1109 L1115 L1116 I1193 | P1108-L1112 WeakPolarHBondContact O-CB 3.5Å; P1108-L1112 PolarHBondContact O-N 3.46Å; L1109-L1112 PolarHBondContact O-N 2.93Å; L1112-L1115 PolarHBondContact O-N 2.92Å; L1112-L1116 HydrophobicContact CD1-CD1 4.43Å; L1112-L1116 HydrophobicContact CD1-CG 4.46Å; L1112-L1116 HydrophobicContact CG-CD1 4.2Å; L1112-L1116 WeakPolarHBondContact O-CG 3.35Å; L1112-L1116 PolarHBondContact O-N 3.32Å; L1112-I1193 HydrophobicContact CD2-CD1 3.67Å; L1112-I1193 HydrophobicContact CD2-CG1 3.87Å; L1112-I1193 HydrophobicContact CG-CD1 3.79Å |
| 1113 | Y | 84.9 | Confident | 83.7 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 175.6 | 172.6 | -90.9 | 0 | 0 | 0 | 111.7 | L1109 A1110 V1111 L1115 L1116 Q1117 L1233 V1236 M1237 | L1109-Y1113 VanDerWaalsContact O-CB 3.3Å; L1109-Y1113 WeakPolarHBondContact O-CB 3.25Å; L1109-Y1113 PolarHBondContact O-N 3.37Å; A1110-Y1113 PolarHBondContact O-N 2.68Å; V1111-Y1113 VanDerWaalsContact C-N 3.33Å; V1111-Y1113 PolarHBondContact O-N 3.33Å; Y1113-L1115 VanDerWaalsContact C-N 3.32Å; Y1113-L1115 PolarHBondContact O-N 3.24Å; Y1113-L1116 PolarHBondContact O-N 3.47Å; Y1113-Q1117 WeakPolarHBondContact O-CB 3.34Å; Y1113-Q1117 PolarHBondContact O-N 2.98Å; Y1113-L1233 HydrophobicContact CE2-CD2 4.15Å; Y1113-V1236 WeakPolarHBondContact OH-CG1 3.39Å; Y1113-M1237 HydrophobicContact CE1-SD 4.21Å; Y1113-M1237 HydrophobicContact CE2-CG 3.5Å; Y1113-M1237 HydrophobicContact CE2-SD 3.87Å; Y1113-M1237 VanDerWaalsContact CZ-SD 3.52Å; Y1113-M1237 WeakPolarHBondContact OH-CG 3.43Å; Y1113-M1237 PolarHBondContact OH-SD 3.34Å |
| 1114 | V | 83.3 | Confident | 83.4 | Confident | 56 Ų | 56 | 49.6 Ų | 49.6 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 111 | A1110 V1111 Q1117 R1118 | A1110-V1114 WeakPolarHBondContact O-CG2 3.45Å; A1110-V1114 PolarHBondContact O-N 3.19Å; V1111-V1114 PolarHBondContact O-N 2.85Å; V1114-Q1117 PolarHBondContact O-N 2.93Å; V1114-R1118 HydrophobicContact CG1-CG 4.32Å; V1114-R1118 WeakPolarHBondContact O-CB 3.23Å; V1114-R1118 WeakPolarHBondContact O-CG 3.45Å; V1114-R1118 PolarHBondContact O-N 3.06Å |
| 1115 | L | 86.1 | Confident | 82.7 | Confident | 104 Ų | 104 | 48.1 Ų | 48.1 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 176.6 | -70.2 | 173.9 | 0 | 0 | 0 | 111.9 | V1111 L1112 Y1113 R1118 F1119 | V1111-L1115 HydrophobicContact CG1-CD1 4.07Å; V1111-L1115 HydrophobicContact CG1-CG 4.44Å; V1111-L1115 VanDerWaalsContact O-CG 3.31Å; V1111-L1115 WeakPolarHBondContact O-CG 3.43Å; V1111-L1115 PolarHBondContact O-N 3.41Å; L1112-L1115 PolarHBondContact O-N 2.92Å; Y1113-L1115 VanDerWaalsContact C-N 3.32Å; Y1113-L1115 PolarHBondContact O-N 3.24Å; L1115-R1118 PolarHBondContact O-N 3.26Å; L1115-F1119 WeakPolarHBondContact O-CB 3.25Å; L1115-F1119 PolarHBondContact O-N 2.97Å |
| 1116 | L | 82.9 | Confident | 82.4 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.7 | -72.5 | 172.6 | 0 | 0 | 0 | 112 | L1112 Y1113 F1119 Y1120 W1185 R1189 I1193 | L1112-L1116 HydrophobicContact CD1-CD1 4.43Å; L1112-L1116 HydrophobicContact CD1-CG 4.46Å; L1112-L1116 HydrophobicContact CG-CD1 4.2Å; L1112-L1116 WeakPolarHBondContact O-CG 3.35Å; L1112-L1116 PolarHBondContact O-N 3.32Å; Y1113-L1116 PolarHBondContact O-N 3.47Å; L1116-F1119 PolarHBondContact O-N 3.44Å; L1116-Y1120 WeakPolarHBondContact O-CB 3.17Å; L1116-Y1120 PolarHBondContact O-N 2.82Å; L1116-W1185 HydrophobicContact CD2-CH2 3.7Å; L1116-W1185 HydrophobicContact CD2-CZ2 4.47Å; L1116-W1185 HydrophobicContact CD2-CZ3 4.43Å; L1116-R1189 HydrophobicContact CD1-CB 4.05Å; L1116-I1193 HydrophobicContact CD1-CD1 3.45Å; L1116-I1193 VanDerWaalsContact CD1-CD1 3.45Å |
| 1117 | Q | 78.8 | Confident | 82.2 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -51.4 | 175.8 | 174.2 | 174.2 | 19 | 0 | 0 | 111.1 | Y1113 V1114 F1119 Y1120 V1121 M1237 | Y1113-Q1117 WeakPolarHBondContact O-CB 3.34Å; Y1113-Q1117 PolarHBondContact O-N 2.98Å; V1114-Q1117 PolarHBondContact O-N 2.93Å; Q1117-F1119 VanDerWaalsContact C-N 3.25Å; Q1117-F1119 PolarHBondContact O-N 3.36Å; Q1117-Y1120 PolarHBondContact O-N 3.37Å; Q1117-V1121 HydrophobicContact CG-CG2 4.2Å; Q1117-V1121 WeakPolarHBondContact O-CB 3.48Å; Q1117-V1121 VanDerWaalsContact O-CG2 3.25Å; Q1117-V1121 WeakPolarHBondContact O-CG2 3.38Å; Q1117-V1121 PolarHBondContact O-N 3.33Å; Q1117-M1237 HydrophobicContact CB-CE 3.7Å; Q1117-M1237 HydrophobicContact CB-SD 3.61Å; Q1117-M1237 VanDerWaalsContact CD-SD 3.53Å; Q1117-M1237 HydrophobicContact CG-CE 3.66Å; Q1117-M1237 HydrophobicContact CG-SD 3.5Å; Q1117-M1237 WeakPolarHBondContact CG-SD 3.48Å |
| 1118 | R | 78.8 | Confident | 81.7 | Confident | 131 Ų | 131 | 44.7 Ų | 44.7 | 49% | 0.494 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.5 | -38.8 | -179.7 | -70.2 | -177.7 | 176 | -169.1 | 2.8 | 112 | R941 V1114 L1115 | R941-R1118 VanDerWaalsContact NH2-CG 3.34Å; V1114-R1118 HydrophobicContact CG1-CG 4.32Å; V1114-R1118 WeakPolarHBondContact O-CB 3.23Å; V1114-R1118 WeakPolarHBondContact O-CG 3.45Å; V1114-R1118 PolarHBondContact O-N 3.06Å; L1115-R1118 PolarHBondContact O-N 3.26Å |
| 1119 | F | 80.5 | Confident | 81 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 9% | 0.088 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.2 | -47.3 | 178 | 178.4 | -95.7 | 0 | 0 | 0 | 112.5 | F226 A229 W230 W233 L1115 L1116 Q1117 W1185 | F226-F1119 HydrophobicContact CD2-CE1 4.19Å; F226-F1119 HydrophobicContact CD2-CZ 4.28Å; F226-F1119 HydrophobicContact CE1-CZ 4.16Å; F226-F1119 HydrophobicContact CE2-CD1 4.3Å; F226-F1119 AromaticContact CE2-CE1 3.26Å; F226-F1119 HydrophobicContact CE2-CE1 3.26Å; F226-F1119 HydrophobicContact CE2-CE2 4.48Å; F226-F1119 AromaticContact CE2-CZ 3.36Å; F226-F1119 HydrophobicContact CE2-CZ 3.36Å; F226-F1119 AromaticContact CZ-CE1 3.66Å; F226-F1119 HydrophobicContact CZ-CE1 3.66Å; F226-F1119 HydrophobicContact CZ-CE2 4.06Å; F226-F1119 AromaticContact CZ-CZ 3.28Å; F226-F1119 HydrophobicContact CZ-CZ 3.28Å; A229-F1119 HydrophobicContact CB-CE1 3.4Å; A229-F1119 HydrophobicContact CB-CZ 3.54Å; A229-F1119 WeakPolarHBondContact O-CZ 3.45Å; W230-F1119 HydrophobicContact CB-CZ 4.42Å; W230-F1119 AromaticContact CE3-CE2 3.89Å; W230-F1119 HydrophobicContact CE3-CE2 3.89Å; W233-F1119 HydrophobicContact CB-CD2 3.66Å; W233-F1119 HydrophobicContact CB-CE2 3.7Å; W233-F1119 HydrophobicContact CD2-CD2 4.09Å; W233-F1119 AromaticContact CG-CD2 3.65Å; W233-F1119 HydrophobicContact CG-CD2 3.65Å; W233-F1119 HydrophobicContact CG-CE2 4.11Å; L1115-F1119 WeakPolarHBondContact O-CB 3.25Å; L1115-F1119 PolarHBondContact O-N 2.97Å; L1116-F1119 PolarHBondContact O-N 3.44Å; Q1117-F1119 VanDerWaalsContact C-N 3.25Å; Q1117-F1119 PolarHBondContact O-N 3.36Å; F1119-W1185 AromaticContact CD1-CH2 3.94Å; F1119-W1185 HydrophobicContact CD1-CH2 3.94Å; F1119-W1185 HydrophobicContact CD1-CZ3 4.12Å; F1119-W1185 HydrophobicContact CE1-CH2 4.01Å; F1119-W1185 HydrophobicContact CE1-CZ3 4.31Å |
| 1120 | Y | 79.6 | Confident | 80.8 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 7% | 0.071 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -50.1 | -179.6 | 169.6 | -101.9 | 0 | 0 | 0 | 112.4 | L1116 Q1117 A1122 T1123 S1124 S1182 L1186 M1237 | L1116-Y1120 WeakPolarHBondContact O-CB 3.17Å; L1116-Y1120 PolarHBondContact O-N 2.82Å; Q1117-Y1120 PolarHBondContact O-N 3.37Å; Y1120-A1122 VanDerWaalsContact C-N 3.26Å; Y1120-A1122 PolarHBondContact O-N 2.92Å; Y1120-T1123 PolarHBondContact O-N 3.02Å; Y1120-S1124 WeakPolarHBondContact O-CB 3Å; Y1120-S1124 PolarHBondContact O-N 3.16Å; Y1120-S1182 WeakPolarHBondContact CE2-O 3.45Å; Y1120-L1186 HydrophobicContact CD1-CD2 3.33Å; Y1120-L1186 HydrophobicContact CD1-CG 4.45Å; Y1120-L1186 HydrophobicContact CD2-CB 3.79Å; Y1120-L1186 HydrophobicContact CD2-CD2 3.89Å; Y1120-L1186 HydrophobicContact CD2-CG 4.31Å; Y1120-L1186 HydrophobicContact CE1-CD2 3.52Å; Y1120-L1186 HydrophobicContact CE2-CB 4.03Å; Y1120-L1186 HydrophobicContact CE2-CD2 4.09Å; Y1120-L1186 HydrophobicContact CG-CB 4.15Å; Y1120-L1186 HydrophobicContact CG-CD1 4.32Å; Y1120-L1186 HydrophobicContact CG-CD2 3.49Å; Y1120-L1186 VanDerWaalsContact CG-CD2 3.49Å; Y1120-L1186 HydrophobicContact CG-CG 4.17Å; Y1120-M1237 HydrophobicContact CD1-CE 4.25Å |
| 1121 | V | 75.8 | Confident | 80.7 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.8 | -42.3 | -175.5 | 165.9 | 0 | 0 | 0 | 0 | 111.4 | Q1117 T1123 S1124 R1125 E1244 | Q1117-V1121 HydrophobicContact CG-CG2 4.2Å; Q1117-V1121 WeakPolarHBondContact O-CB 3.48Å; Q1117-V1121 VanDerWaalsContact O-CG2 3.25Å; Q1117-V1121 WeakPolarHBondContact O-CG2 3.38Å; Q1117-V1121 PolarHBondContact O-N 3.33Å; V1121-T1123 VanDerWaalsContact C-N 3.34Å; V1121-T1123 PolarHBondContact O-N 2.85Å; V1121-S1124 PolarHBondContact O-N 3.44Å; V1121-R1125 VanDerWaalsContact O-CB 3.25Å; V1121-R1125 WeakPolarHBondContact O-CB 3.49Å; V1121-R1125 PolarHBondContact O-N 2.97Å; V1121-E1244 WeakPolarHBondContact CG1-OE2 3.39Å |
| 1122 | A | 77.2 | Confident | 80.3 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 17% | 0.174 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1120 Q1126 | Y1120-A1122 VanDerWaalsContact C-N 3.26Å; Y1120-A1122 PolarHBondContact O-N 2.92Å; A1122-Q1126 WeakPolarHBondContact O-CG 3.23Å |
| 1123 | T | 80.2 | Confident | 79.8 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.7 | -47.2 | 179.1 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | A229 V237 Y1120 V1121 R1125 Q1126 L1127 | A229-T1123 WeakPolarHBondContact CA-OG1 3.19Å; A229-T1123 HydrophobicContact CB-CG2 4.25Å; A229-T1123 PolarHBondContact O-OG1 3.36Å; V237-T1123 HydrophobicContact CG2-CG2 4.26Å; Y1120-T1123 PolarHBondContact O-N 3.02Å; V1121-T1123 VanDerWaalsContact C-N 3.34Å; V1121-T1123 PolarHBondContact O-N 2.85Å; T1123-R1125 VanDerWaalsContact C-N 3.33Å; T1123-R1125 PolarHBondContact O-N 3.23Å; T1123-Q1126 PolarHBondContact O-N 3.18Å; T1123-L1127 HydrophobicContact CG2-CD1 3.84Å; T1123-L1127 HydrophobicContact CG2-CG 4.32Å; T1123-L1127 WeakPolarHBondContact O-CG 3.23Å; T1123-L1127 PolarHBondContact O-N 3.02Å |
| 1124 | S | 78.5 | Confident | 79.7 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.7 | -45.5 | -177.8 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | Y1120 V1121 Q1126 L1127 Q1128 | Y1120-S1124 WeakPolarHBondContact O-CB 3Å; Y1120-S1124 PolarHBondContact O-N 3.16Å; V1121-S1124 PolarHBondContact O-N 3.44Å; S1124-Q1126 PolarHBondContact O-N 3.4Å; S1124-L1127 PolarHBondContact O-N 3.01Å; S1124-Q1128 WeakPolarHBondContact O-CB 3.44Å; S1124-Q1128 PolarHBondContact O-N 2.74Å |
| 1125 | R | 73.1 | Confident | 79.7 | Confident | 73 Ų | 73 | 41.3 Ų | 41.3 | 28% | 0.275 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.3 | -43.8 | 178.1 | -174.5 | 175.2 | 64.5 | -143.9 | 3.7 | 112.7 | G940 V1121 T1123 R1129 E1244 | G940-R1125 PolarHBondContact O-NE 3.44Å; G940-R1125 PolarHBondContact O-NH1 3.28Å; G940-R1125 PolarHBondContact O-NH2 2.95Å; V1121-R1125 VanDerWaalsContact O-CB 3.25Å; V1121-R1125 WeakPolarHBondContact O-CB 3.49Å; V1121-R1125 PolarHBondContact O-N 2.97Å; T1123-R1125 VanDerWaalsContact C-N 3.33Å; T1123-R1125 PolarHBondContact O-N 3.23Å; R1125-R1129 WeakPolarHBondContact O-CB 3.48Å; R1125-R1129 PolarHBondContact O-N 2.64Å; R1125-E1244 IonicContact NH1-OE1 3.12Å; R1125-E1244 PolarHBondContact NH1-OE1 2.84Å |
| 1126 | Q | 79.7 | Confident | 79.4 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68 | -43.2 | 178.1 | -66.4 | -61.9 | -18.8 | 0 | 0 | 111.6 | V237 A1122 T1123 S1124 Q1128 R1129 M1130 | V237-Q1126 HydrophobicContact CB-CB 4.38Å; A1122-Q1126 WeakPolarHBondContact O-CG 3.23Å; T1123-Q1126 PolarHBondContact O-N 3.18Å; S1124-Q1126 PolarHBondContact O-N 3.4Å; Q1126-Q1128 PolarHBondContact O-N 3.17Å; Q1126-R1129 PolarHBondContact O-N 2.81Å; Q1126-M1130 VanDerWaalsContact O-CG 3.29Å; Q1126-M1130 WeakPolarHBondContact O-CG 3.24Å; Q1126-M1130 PolarHBondContact O-N 3.45Å |
| 1127 | L | 81.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.8 | -69.9 | 174.1 | 0 | 0 | 0 | 112.2 | V237 L242 T1123 S1124 R1129 M1130 E1131 P1178 K1179 | V237-L1127 HydrophobicContact CG1-CD2 4.2Å; L242-L1127 HydrophobicContact CD2-CD2 4.24Å; T1123-L1127 HydrophobicContact CG2-CD1 3.84Å; T1123-L1127 HydrophobicContact CG2-CG 4.32Å; T1123-L1127 WeakPolarHBondContact O-CG 3.23Å; T1123-L1127 PolarHBondContact O-N 3.02Å; S1124-L1127 PolarHBondContact O-N 3.01Å; L1127-R1129 VanDerWaalsContact C-N 3.34Å; L1127-R1129 PolarHBondContact O-N 2.99Å; L1127-M1130 PolarHBondContact O-N 3.28Å; L1127-E1131 WeakPolarHBondContact O-CB 3.32Å; L1127-E1131 PolarHBondContact O-N 3.42Å; L1127-P1178 HydrophobicContact CD1-CB 3.96Å; L1127-P1178 HydrophobicContact CD2-CB 3.88Å; L1127-K1179 HydrophobicContact CB-CB 4.18Å |
| 1128 | Q | 77.9 | Confident | 79.9 | Confident | 56 Ų | 56 | 39 Ų | 39 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.1 | -38 | 175.5 | -176.9 | 170.6 | -5 | 0 | 0 | 112.1 | S1124 Q1126 A1132 | S1124-Q1128 WeakPolarHBondContact O-CB 3.44Å; S1124-Q1128 PolarHBondContact O-N 2.74Å; Q1126-Q1128 PolarHBondContact O-N 3.17Å; Q1128-A1132 WeakPolarHBondContact O-CB 3.46Å; Q1128-A1132 PolarHBondContact O-N 3.17Å; Q1128-A1132 VanDerWaalsContact O-N 3.07Å |
| 1129 | R | 74.8 | Confident | 80.4 | Confident | 85 Ų | 85 | 35.1 Ų | 35.1 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65 | -48.2 | 174.1 | -178.5 | -180 | 177 | 174.5 | -1.3 | 111.8 | M937 R1125 Q1126 L1127 E1131 A1132 V1133 | M937-R1129 HydrophobicContact CE-CG 4.15Å; M937-R1129 VanDerWaalsContact SD-CZ 3.52Å; M937-R1129 PolarHBondContact SD-NE 2.71Å; M937-R1129 VanDerWaalsContact SD-NE 3.45Å; M937-R1129 PolarHBondContact SD-NH2 3.29Å; M937-R1129 VanDerWaalsContact SD-NH2 3.43Å; R1125-R1129 WeakPolarHBondContact O-CB 3.48Å; R1125-R1129 PolarHBondContact O-N 2.64Å; Q1126-R1129 PolarHBondContact O-N 2.81Å; L1127-R1129 VanDerWaalsContact C-N 3.34Å; L1127-R1129 PolarHBondContact O-N 2.99Å; R1129-E1131 VanDerWaalsContact C-N 3.31Å; R1129-E1131 PolarHBondContact O-N 3.47Å; R1129-A1132 PolarHBondContact O-N 2.94Å; R1129-V1133 WeakPolarHBondContact O-CG2 3.37Å; R1129-V1133 PolarHBondContact O-N 3.19Å |
| 1130 | M | 81.5 | Confident | 80.5 | Confident | 33 Ų | 33 | 35.5 Ų | 35.5 | 16% | 0.163 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | -179.9 | -68.8 | 177.1 | 79.3 | 0 | 0 | 111.6 | V237 L242 Q1126 L1127 V1133 S1134 N1175 | V237-M1130 HydrophobicContact CB-SD 4.14Å; V237-M1130 HydrophobicContact CG1-SD 3.97Å; V237-M1130 VanDerWaalsContact O-SD 3.39Å; L242-M1130 HydrophobicContact CD1-CE 3.7Å; L242-M1130 HydrophobicContact CD2-CE 4.21Å; L242-M1130 HydrophobicContact CG-CE 4.1Å; Q1126-M1130 VanDerWaalsContact O-CG 3.29Å; Q1126-M1130 WeakPolarHBondContact O-CG 3.24Å; Q1126-M1130 PolarHBondContact O-N 3.45Å; L1127-M1130 PolarHBondContact O-N 3.28Å; M1130-V1133 PolarHBondContact O-N 2.63Å; M1130-S1134 PolarHBondContact O-N 2.68Å; M1130-S1134 PolarHBondContact O-OG 3.09Å; M1130-N1175 HydrophobicContact CB-CB 4.31Å; M1130-N1175 PolarHBondContact O-ND2 3.06Å |
| 1131 | E | 83.4 | Confident | 81 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -49.7 | 174.8 | -177.7 | -124 | 166.3 | 0 | 0 | 112 | L1127 R1129 V1133 S1134 L1135 N1172 N1175 Y1176 K1179 | L1127-E1131 WeakPolarHBondContact O-CB 3.32Å; L1127-E1131 PolarHBondContact O-N 3.42Å; R1129-E1131 VanDerWaalsContact C-N 3.31Å; R1129-E1131 PolarHBondContact O-N 3.47Å; E1131-V1133 VanDerWaalsContact C-N 3.31Å; E1131-V1133 PolarHBondContact O-N 3.47Å; E1131-S1134 WeakPolarHBondContact CA-OG 3.37Å; E1131-S1134 PolarHBondContact O-N 3.16Å; E1131-S1134 PolarHBondContact O-OG 2.9Å; E1131-L1135 PolarHBondContact O-N 2.93Å; E1131-N1172 PolarHBondContact O-OD1 3.27Å; E1131-N1175 HydrophobicContact CB-CB 4.16Å; E1131-Y1176 HydrophobicContact CG-CD2 4.06Å; E1131-K1179 IonicContact OE2-NZ 3.62Å; E1131-K1179 PolarHBondContact OE2-NZ 3.41Å |
| 1132 | A | 79.7 | Confident | 81.7 | Confident | 53 Ų | 53 | 35.1 Ų | 35.1 | 44% | 0.438 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60 | -40.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1128 R1129 L1135 | Q1128-A1132 WeakPolarHBondContact O-CB 3.46Å; Q1128-A1132 PolarHBondContact O-N 3.17Å; Q1128-A1132 VanDerWaalsContact O-N 3.07Å; R1129-A1132 PolarHBondContact O-N 2.94Å; A1132-L1135 PolarHBondContact O-N 3.44Å |
| 1133 | V | 77.8 | Confident | 82.1 | Confident | 93 Ų | 93 | 37.6 Ų | 37.6 | 56% | 0.564 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -70.2 | -36 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 111.8 | R1129 M1130 E1131 L1135 P1137 | R1129-V1133 WeakPolarHBondContact O-CG2 3.37Å; R1129-V1133 PolarHBondContact O-N 3.19Å; M1130-V1133 PolarHBondContact O-N 2.63Å; E1131-V1133 VanDerWaalsContact C-N 3.31Å; E1131-V1133 PolarHBondContact O-N 3.47Å; V1133-L1135 VanDerWaalsContact C-N 3.29Å; V1133-L1135 PolarHBondContact O-N 2.68Å; V1133-P1137 WeakPolarHBondContact O-CD 3.29Å |
| 1134 | S | 82 | Confident | 82.3 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.8 | -17.6 | 178 | 52.8 | 0 | 0 | 0 | 0 | 114.6 | M1130 E1131 N1172 N1175 | M1130-S1134 PolarHBondContact O-N 2.68Å; M1130-S1134 PolarHBondContact O-OG 3.09Å; E1131-S1134 WeakPolarHBondContact CA-OG 3.37Å; E1131-S1134 PolarHBondContact O-N 3.16Å; E1131-S1134 PolarHBondContact O-OG 2.9Å; S1134-N1172 WeakPolarHBondContact OG-CA 3.32Å; S1134-N1172 PolarHBondContact OG-OD1 2.74Å; S1134-N1175 VanDerWaalsContact CB-ND2 3.26Å; S1134-N1175 WeakPolarHBondContact CB-ND2 3.27Å; S1134-N1175 PolarHBondContact OG-ND2 3.43Å |
| 1135 | L | 82.7 | Confident | 82.9 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.6 | -37.6 | 176.2 | -76.3 | 168.5 | 0 | 0 | 0 | 112.8 | E1131 A1132 V1133 I1138 Y1139 N1172 | E1131-L1135 PolarHBondContact O-N 2.93Å; A1132-L1135 PolarHBondContact O-N 3.44Å; V1133-L1135 VanDerWaalsContact C-N 3.29Å; V1133-L1135 PolarHBondContact O-N 2.68Å; L1135-I1138 HydrophobicContact CD2-CD1 4.44Å; L1135-I1138 WeakPolarHBondContact O-CB 3.11Å; L1135-I1138 PolarHBondContact O-N 3.03Å; L1135-I1138 VanDerWaalsContact O-N 3.09Å; L1135-Y1139 HydrophobicContact CB-CE2 4.16Å; L1135-Y1139 PolarHBondContact O-N 3.15Å; L1135-N1172 VanDerWaalsContact CD2-ND2 3.34Å; L1135-N1172 WeakPolarHBondContact CD2-ND2 3.48Å; L1135-N1172 WeakPolarHBondContact CG-OD1 3.46Å |
| 1136 | S | 80.2 | Confident | 83.6 | Confident | 69 Ų | 69 | 35.6 Ų | 35.6 | 48% | 0.483 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.2 | -46.1 | -174.3 | -61 | 0 | 0 | 0 | 0 | 114 | I1138 Y1139 S1140 | S1136-I1138 PolarHBondContact O-N 3.42Å; S1136-Y1139 PolarHBondContact O-N 3.36Å; S1136-Y1139 VanDerWaalsContact O-N 3.13Å; S1136-S1140 PolarHBondContact O-N 3.04Å; S1136-S1140 PolarHBondContact O-OG 3.25Å |
| 1137 | P | 84.3 | Confident | 83.8 | Confident | 57 Ų | 57 | 37.9 Ų | 37.9 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.8 | -28.5 | 177.2 | -25 | 35.4 | 0 | 0 | 0 | 114.1 | V1133 L1141 L1168 | V1133-P1137 WeakPolarHBondContact O-CD 3.29Å; P1137-L1141 VanDerWaalsContact O-CB 3.22Å; P1137-L1141 WeakPolarHBondContact O-CB 3.5Å; P1137-L1141 PolarHBondContact O-N 2.85Å; P1137-L1168 HydrophobicContact CB-CD1 4.19Å; P1137-L1168 HydrophobicContact CB-CD2 4.16Å |
| 1138 | I | 88.8 | Confident | 84 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -46.5 | 176.6 | -59.5 | 172.7 | 0 | 0 | 0 | 109.5 | L1135 S1136 F1142 F1165 L1168 I1169 N1172 | L1135-I1138 HydrophobicContact CD2-CD1 4.44Å; L1135-I1138 WeakPolarHBondContact O-CB 3.11Å; L1135-I1138 PolarHBondContact O-N 3.03Å; L1135-I1138 VanDerWaalsContact O-N 3.09Å; S1136-I1138 PolarHBondContact O-N 3.42Å; I1138-F1142 WeakPolarHBondContact O-CB 3.36Å; I1138-F1142 PolarHBondContact O-N 3.5Å; I1138-F1165 HydrophobicContact CG2-CD2 4.43Å; I1138-F1165 HydrophobicContact CG2-CE2 3.55Å; I1138-F1165 HydrophobicContact CG2-CZ 3.63Å; I1138-L1168 HydrophobicContact CG1-CB 3.71Å; I1138-I1169 HydrophobicContact CD1-CG1 4.2Å; I1138-N1172 HydrophobicContact CD1-CB 3.8Å |
| 1139 | Y | 88.4 | Confident | 84.5 | Confident | 50 Ų | 50 | 35.4 Ų | 35.4 | 20% | 0.196 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.4 | -43.1 | -179.8 | -58.8 | -43.8 | 0 | 0 | 0 | 112.5 | L419 L1135 S1136 F1142 Q1143 | L419-Y1139 HydrophobicContact CD2-CD1 3.77Å; L419-Y1139 HydrophobicContact CD2-CE1 4.08Å; L419-Y1139 HydrophobicContact CG-CD1 4.23Å; L419-Y1139 HydrophobicContact CG-CE1 4.03Å; L1135-Y1139 HydrophobicContact CB-CE2 4.16Å; L1135-Y1139 PolarHBondContact O-N 3.15Å; S1136-Y1139 PolarHBondContact O-N 3.36Å; S1136-Y1139 VanDerWaalsContact O-N 3.13Å; Y1139-F1142 WeakPolarHBondContact O-CB 3.45Å; Y1139-F1142 PolarHBondContact O-N 3.04Å; Y1139-Q1143 WeakPolarHBondContact O-CG 2.86Å; Y1139-Q1143 PolarHBondContact O-N 3.35Å |
| 1140 | S | 83.8 | Confident | 85.2 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 177 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | S1136 F1142 Q1143 E1144 | S1136-S1140 PolarHBondContact O-N 3.04Å; S1136-S1140 PolarHBondContact O-OG 3.25Å; S1140-F1142 VanDerWaalsContact C-N 3.32Å; S1140-F1142 PolarHBondContact O-N 3.03Å; S1140-Q1143 PolarHBondContact O-N 2.86Å; S1140-E1144 WeakPolarHBondContact O-CB 3.41Å; S1140-E1144 WeakPolarHBondContact O-CG 3.49Å; S1140-E1144 PolarHBondContact O-N 2.56Å |
| 1141 | L | 88.6 | Confident | 85.6 | Confident | 20 Ų | 20 | 31.3 Ų | 31.3 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 176.8 | -176.4 | 63.3 | 0 | 0 | 0 | 111.9 | P1137 E1144 V1145 F1161 R1164 F1165 L1168 | P1137-L1141 VanDerWaalsContact O-CB 3.22Å; P1137-L1141 WeakPolarHBondContact O-CB 3.5Å; P1137-L1141 PolarHBondContact O-N 2.85Å; L1141-E1144 PolarHBondContact O-N 2.85Å; L1141-V1145 HydrophobicContact CD1-CG2 4.21Å; L1141-V1145 HydrophobicContact CG-CG2 4.46Å; L1141-V1145 WeakPolarHBondContact O-CB 3.39Å; L1141-V1145 VanDerWaalsContact O-CG2 3.26Å; L1141-V1145 WeakPolarHBondContact O-CG2 3.18Å; L1141-V1145 PolarHBondContact O-N 3.4Å; L1141-F1161 HydrophobicContact CD1-CD1 3.91Å; L1141-F1161 HydrophobicContact CD1-CE1 3.89Å; L1141-R1164 HydrophobicContact CD2-CB 4.38Å; L1141-R1164 HydrophobicContact CD2-CG 3.8Å; L1141-F1165 HydrophobicContact CD2-CB 4.38Å; L1141-F1165 HydrophobicContact CD2-CD2 4.18Å; L1141-L1168 HydrophobicContact CB-CD1 4.32Å; L1141-L1168 HydrophobicContact CD2-CD1 3.67Å |
| 1142 | F | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.6 | -49.7 | 175.3 | -175.3 | -93.4 | 0 | 0 | 0 | 111.4 | I395 F396 A399 M415 L419 I1138 Y1139 S1140 V1145 V1146 F1165 | I395-F1142 HydrophobicContact CG2-CE2 3.95Å; I395-F1142 HydrophobicContact CG2-CZ 4Å; F396-F1142 AromaticContact CD2-CD2 3.74Å; F396-F1142 HydrophobicContact CD2-CD2 3.74Å; F396-F1142 HydrophobicContact CD2-CE2 4.2Å; A399-F1142 HydrophobicContact CB-CE2 4.31Å; A399-F1142 HydrophobicContact CB-CZ 4.37Å; M415-F1142 HydrophobicContact CB-CE1 3.83Å; M415-F1142 HydrophobicContact CB-CZ 3.93Å; L419-F1142 HydrophobicContact CD2-CB 3.85Å; L419-F1142 HydrophobicContact CD2-CD1 4.07Å; L419-F1142 HydrophobicContact CD2-CD2 3.69Å; L419-F1142 HydrophobicContact CD2-CE2 4.3Å; L419-F1142 HydrophobicContact CD2-CG 3.59Å; I1138-F1142 WeakPolarHBondContact O-CB 3.36Å; I1138-F1142 PolarHBondContact O-N 3.5Å; Y1139-F1142 WeakPolarHBondContact O-CB 3.45Å; Y1139-F1142 PolarHBondContact O-N 3.04Å; S1140-F1142 VanDerWaalsContact C-N 3.32Å; S1140-F1142 PolarHBondContact O-N 3.03Å; F1142-V1145 PolarHBondContact O-N 3.33Å; F1142-V1146 HydrophobicContact CD1-CG2 4.1Å; F1142-V1146 HydrophobicContact CE1-CG2 3.74Å; F1142-V1146 HydrophobicContact CE2-CG2 4.35Å; F1142-V1146 HydrophobicContact CZ-CG2 3.85Å; F1142-V1146 WeakPolarHBondContact O-CB 3.47Å; F1142-V1146 VanDerWaalsContact O-CG2 3.27Å; F1142-V1146 WeakPolarHBondContact O-CG2 3.41Å; F1142-V1146 PolarHBondContact O-N 3.37Å; F1142-F1165 HydrophobicContact CB-CE2 4.13Å; F1142-F1165 HydrophobicContact CD2-CE2 4.32Å; F1142-F1165 HydrophobicContact CD2-CZ 4.29Å |
| 1143 | Q | 86.1 | Confident | 86.5 | Confident | 72 Ų | 72 | 28.8 Ų | 28.8 | 34% | 0.336 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 179.9 | -73.6 | -176.4 | -20.4 | 0 | 0 | 112.6 | T416 Y1139 S1140 V1146 Q1147 | T416-Q1143 HydrophobicContact CG2-CG 4.26Å; Y1139-Q1143 WeakPolarHBondContact O-CG 2.86Å; Y1139-Q1143 PolarHBondContact O-N 3.35Å; S1140-Q1143 PolarHBondContact O-N 2.86Å; Q1143-V1146 PolarHBondContact O-N 3.23Å; Q1143-Q1147 WeakPolarHBondContact O-CB 3.32Å; Q1143-Q1147 VanDerWaalsContact O-CG 3.29Å; Q1143-Q1147 WeakPolarHBondContact O-CG 3.21Å; Q1143-Q1147 PolarHBondContact O-N 3.47Å |
| 1144 | E | 85.3 | Confident | 87.1 | Confident | 26 Ų | 26 | 24.5 Ų | 24.5 | 12% | 0.121 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -45.7 | 176.8 | -75.3 | 173.1 | -144.3 | 0 | 0 | 111.6 | W719 L721 N722 S1140 L1141 G1148 | W719-E1144 PolarHBondContact NE1-O 2.86Å; L721-E1144 HydrophobicContact CD2-CB 4.34Å; N722-E1144 WeakPolarHBondContact CB-OE1 3.4Å; N722-E1144 PolarHBondContact N-OE2 3.41Å; N722-E1144 VanDerWaalsContact N-OE2 3.16Å; S1140-E1144 WeakPolarHBondContact O-CB 3.41Å; S1140-E1144 WeakPolarHBondContact O-CG 3.49Å; S1140-E1144 PolarHBondContact O-N 2.56Å; L1141-E1144 PolarHBondContact O-N 2.85Å; E1144-G1148 PolarHBondContact O-N 3.12Å; E1144-G1148 VanDerWaalsContact O-N 3.11Å |
| 1145 | V | 90.3 | Very high | 87.6 | Confident | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.7 | -41.9 | 179.2 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | F396 L400 L1141 F1142 Q1147 G1148 I1149 V1152 F1161 | F396-V1145 HydrophobicContact CE2-CB 4.16Å; F396-V1145 HydrophobicContact CE2-CG1 4.01Å; F396-V1145 HydrophobicContact CE2-CG2 4.25Å; F396-V1145 HydrophobicContact CZ-CG1 4.14Å; F396-V1145 HydrophobicContact CZ-CG2 4.27Å; L400-V1145 HydrophobicContact CD2-CG1 3.58Å; L1141-V1145 HydrophobicContact CD1-CG2 4.21Å; L1141-V1145 HydrophobicContact CG-CG2 4.46Å; L1141-V1145 WeakPolarHBondContact O-CB 3.39Å; L1141-V1145 VanDerWaalsContact O-CG2 3.26Å; L1141-V1145 WeakPolarHBondContact O-CG2 3.18Å; L1141-V1145 PolarHBondContact O-N 3.4Å; F1142-V1145 PolarHBondContact O-N 3.33Å; V1145-Q1147 VanDerWaalsContact C-N 3.35Å; V1145-Q1147 PolarHBondContact O-N 2.95Å; V1145-G1148 CarbonylContact O-C 3.54Å; V1145-G1148 PolarHBondContact O-N 2.87Å; V1145-I1149 WeakPolarHBondContact O-CA 3.5Å; V1145-I1149 PolarHBondContact O-N 3.4Å; V1145-V1152 HydrophobicContact CG1-CG2 4.49Å; V1145-F1161 HydrophobicContact CG2-CB 4.46Å; V1145-F1161 HydrophobicContact CG2-CD1 3.38Å; V1145-F1161 HydrophobicContact CG2-CE1 3.65Å; V1145-F1161 HydrophobicContact CG2-CG 3.93Å; V1145-F1161 HydrophobicContact CG2-CZ 4.41Å |
| 1146 | V | 87.3 | Confident | 87.9 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.6 | -37.8 | 179.4 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | A399 A412 M415 F1142 Q1143 | A399-V1146 HydrophobicContact CB-CG2 4.41Å; A412-V1146 HydrophobicContact CB-CG1 3.64Å; M415-V1146 HydrophobicContact CE-CG1 3.59Å; M415-V1146 HydrophobicContact SD-CG1 4.48Å; F1142-V1146 HydrophobicContact CD1-CG2 4.1Å; F1142-V1146 HydrophobicContact CE1-CG2 3.74Å; F1142-V1146 HydrophobicContact CE2-CG2 4.35Å; F1142-V1146 HydrophobicContact CZ-CG2 3.85Å; F1142-V1146 WeakPolarHBondContact O-CB 3.47Å; F1142-V1146 VanDerWaalsContact O-CG2 3.27Å; F1142-V1146 WeakPolarHBondContact O-CG2 3.41Å; F1142-V1146 PolarHBondContact O-N 3.37Å; Q1143-V1146 PolarHBondContact O-N 3.23Å |
| 1147 | Q | 83.3 | Confident | 88.4 | Confident | 86 Ų | 86 | 24.2 Ų | 24.2 | 40% | 0.402 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -68.8 | -38.3 | 176 | -72.4 | 171.8 | 20.6 | 0 | 0 | 112.1 | Q1143 V1145 | Q1143-Q1147 WeakPolarHBondContact O-CB 3.32Å; Q1143-Q1147 VanDerWaalsContact O-CG 3.29Å; Q1143-Q1147 WeakPolarHBondContact O-CG 3.21Å; Q1143-Q1147 PolarHBondContact O-N 3.47Å; V1145-Q1147 VanDerWaalsContact C-N 3.35Å; V1145-Q1147 PolarHBondContact O-N 2.95Å |
| 1148 | G | 86.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 20.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | W719 E1144 V1145 S1150 S1151 V1152 | W719-G1148 VanDerWaalsContact CD1-CA 3.48Å; E1144-G1148 PolarHBondContact O-N 3.12Å; E1144-G1148 VanDerWaalsContact O-N 3.11Å; V1145-G1148 CarbonylContact O-C 3.54Å; V1145-G1148 PolarHBondContact O-N 2.87Å; G1148-S1150 VanDerWaalsContact C-N 3.3Å; G1148-S1150 PolarHBondContact O-N 2.9Å; G1148-S1151 WeakPolarHBondContact O-CA 3Å; G1148-S1151 WeakPolarHBondContact O-CB 3.35Å; G1148-S1151 PolarHBondContact O-N 3.45Å; G1148-V1152 PolarHBondContact O-N 3.41Å |
| 1149 | I | 89.2 | Confident | 88.9 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.1 | -37.5 | -166.6 | -166.7 | 165 | 0 | 0 | 0 | 113.8 | A399 V1145 S1151 V1152 R1153 | A399-I1149 WeakPolarHBondContact O-CD1 3.36Å; V1145-I1149 WeakPolarHBondContact O-CA 3.5Å; V1145-I1149 PolarHBondContact O-N 3.4Å; I1149-S1151 VanDerWaalsContact C-N 3.31Å; I1149-S1151 PolarHBondContact O-N 2.87Å; I1149-V1152 PolarHBondContact O-N 3.01Å; I1149-R1153 HydrophobicContact CG1-CG 4.45Å; I1149-R1153 WeakPolarHBondContact O-CB 3.39Å; I1149-R1153 WeakPolarHBondContact O-CG 3.48Å; I1149-R1153 PolarHBondContact O-N 3.33Å |
| 1150 | S | 87.7 | Confident | 89 | Confident | 31 Ų | 31 | 34.7 Ų | 34.7 | 22% | 0.217 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 175.9 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | G1148 A1154 | G1148-S1150 VanDerWaalsContact C-N 3.3Å; G1148-S1150 PolarHBondContact O-N 2.9Å; S1150-A1154 VanDerWaalsContact O-CB 3.26Å; S1150-A1154 WeakPolarHBondContact O-CB 3.29Å; S1150-A1154 PolarHBondContact O-N 2.8Å |
| 1151 | S | 91.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.8 | -46.6 | 173.7 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | W719 G1148 I1149 R1153 A1154 Y1155 | W719-S1151 VanDerWaalsContact CE3-CB 3.44Å; G1148-S1151 WeakPolarHBondContact O-CA 3Å; G1148-S1151 WeakPolarHBondContact O-CB 3.35Å; G1148-S1151 PolarHBondContact O-N 3.45Å; I1149-S1151 VanDerWaalsContact C-N 3.31Å; I1149-S1151 PolarHBondContact O-N 2.87Å; S1151-R1153 VanDerWaalsContact C-N 3.28Å; S1151-R1153 PolarHBondContact O-N 3.48Å; S1151-A1154 PolarHBondContact O-N 3.4Å; S1151-Y1155 WeakPolarHBondContact O-CD2 3.19Å; S1151-Y1155 PolarHBondContact O-N 2.88Å; S1151-Y1155 VanDerWaalsContact O-N 3.07Å |
| 1152 | V | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.5 | -41.5 | 177.8 | 176 | 0 | 0 | 0 | 0 | 111.6 | L400 W719 V1145 G1148 I1149 N1156 A1157 Q1158 F1161 | L400-V1152 HydrophobicContact CD2-CG1 4.23Å; W719-V1152 HydrophobicContact CH2-CG2 3.43Å; W719-V1152 VanDerWaalsContact CH2-CG2 3.43Å; W719-V1152 HydrophobicContact CZ2-CG2 3.93Å; W719-V1152 HydrophobicContact CZ3-CG2 4.1Å; V1145-V1152 HydrophobicContact CG1-CG2 4.49Å; G1148-V1152 PolarHBondContact O-N 3.41Å; I1149-V1152 PolarHBondContact O-N 3.01Å; V1152-N1156 PolarHBondContact O-N 3.39Å; V1152-A1157 HydrophobicContact CG1-CB 4.37Å; V1152-A1157 PolarHBondContact O-N 3.43Å; V1152-Q1158 HydrophobicContact CG1-CG 4.4Å; V1152-F1161 HydrophobicContact CG1-CD2 3.75Å; V1152-F1161 HydrophobicContact CG1-CE2 4.15Å; V1152-F1161 HydrophobicContact CG2-CD2 4.19Å; V1152-F1161 HydrophobicContact CG2-CE2 3.86Å; V1152-F1161 HydrophobicContact CG2-CZ 4.42Å |
| 1153 | R | 90.8 | Very high | 89.8 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 6% | 0.06 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.9 | -39.4 | 176.5 | -71.5 | -169.7 | -74 | -153.5 | -5.1 | 112.8 | L402 E697 I1149 S1151 Y1155 N1156 Q1158 | L402-R1153 PolarHBondContact O-NH1 3.04Å; E697-R1153 IonicContact OE1-CZ 3.43Å; E697-R1153 IonicContact OE1-NE 3.31Å; E697-R1153 PolarHBondContact OE1-NE 3.35Å; E697-R1153 IonicContact OE1-NH2 3.63Å; E697-R1153 PolarHBondContact OE1-NH2 3.18Å; E697-R1153 IonicContact OE2-CZ 3.2Å; E697-R1153 VanDerWaalsContact OE2-CZ 3.29Å; E697-R1153 IonicContact OE2-NE 3.06Å; E697-R1153 IonicContact OE2-NH1 2.86Å; E697-R1153 IonicContact OE2-NH2 3.73Å; E697-R1153 PolarHBondContact OE2-NH2 3.44Å; I1149-R1153 HydrophobicContact CG1-CG 4.45Å; I1149-R1153 WeakPolarHBondContact O-CB 3.39Å; I1149-R1153 WeakPolarHBondContact O-CG 3.48Å; I1149-R1153 PolarHBondContact O-N 3.33Å; S1151-R1153 VanDerWaalsContact C-N 3.28Å; S1151-R1153 PolarHBondContact O-N 3.48Å; R1153-Y1155 VanDerWaalsContact C-N 3.33Å; R1153-Y1155 PolarHBondContact O-N 3.46Å; R1153-N1156 PolarHBondContact O-N 2.9Å; R1153-N1156 PolarHBondContact O-OD1 3.43Å; R1153-Q1158 HydrophobicContact CG-CG 4.47Å |
| 1154 | A | 90.5 | Very high | 90 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L695 I711 Y713 S1150 S1151 N1156 | L695-A1154 HydrophobicContact CD2-CB 3.66Å; I711-A1154 VanDerWaalsContact O-O 3.14Å; Y713-A1154 HydrophobicContact CG-CB 4.42Å; S1150-A1154 VanDerWaalsContact O-CB 3.26Å; S1150-A1154 WeakPolarHBondContact O-CB 3.29Å; S1150-A1154 PolarHBondContact O-N 2.8Å; S1151-A1154 PolarHBondContact O-N 3.4Å; A1154-N1156 VanDerWaalsContact C-N 3.25Å; A1154-N1156 PolarHBondContact O-N 2.82Å |
| 1155 | Y | 90.8 | Very high | 90.4 | Very high | 10 Ų | 10 | 43 Ų | 43 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.9 | 177.5 | -65.6 | -68.9 | 0 | 0 | 0 | 114.6 | A712 Y713 F731 Y732 A784 Q787 S1151 R1153 A1157 | A712-Y1155 HydrophobicContact CB-CE1 3.82Å; Y713-Y1155 PolarHBondContact O-OH 3.12Å; F731-Y1155 HydrophobicContact CD1-CD2 4.45Å; F731-Y1155 AromaticContact CE1-CD2 3.73Å; F731-Y1155 HydrophobicContact CE1-CD2 3.73Å; F731-Y1155 HydrophobicContact CE1-CE2 4.45Å; F731-Y1155 HydrophobicContact CE1-CG 4.02Å; F731-Y1155 HydrophobicContact CZ-CD2 4.36Å; Y732-Y1155 PolarHBondContact OH-O 2.99Å; A784-Y1155 WeakPolarHBondContact CA-OH 3.24Å; A784-Y1155 WeakPolarHBondContact CB-OH 3.48Å; Q787-Y1155 HydrophobicContact CB-CD1 4.31Å; Q787-Y1155 HydrophobicContact CB-CE1 4.16Å; Q787-Y1155 HydrophobicContact CG-CD1 3.85Å; Q787-Y1155 HydrophobicContact CG-CE1 3.69Å; S1151-Y1155 WeakPolarHBondContact O-CD2 3.19Å; S1151-Y1155 PolarHBondContact O-N 2.88Å; S1151-Y1155 VanDerWaalsContact O-N 3.07Å; R1153-Y1155 VanDerWaalsContact C-N 3.33Å; R1153-Y1155 PolarHBondContact O-N 3.46Å; Y1155-A1157 PolarHBondContact O-N 3.16Å |
| 1156 | N | 89.3 | Confident | 90.6 | Very high | 86 Ų | 86 | 43.5 Ų | 43.5 | 46% | 0.46 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 36.7 | -169.4 | -62.9 | -45.7 | 0 | 0 | 0 | 114.1 | R637 V1152 R1153 A1154 Q1158 | R637-N1156 PolarHBondContact NH1-ND2 2.89Å; R637-N1156 VanDerWaalsContact NH1-ND2 3.17Å; R637-N1156 PolarHBondContact NH1-OD1 3.31Å; V1152-N1156 PolarHBondContact O-N 3.39Å; R1153-N1156 PolarHBondContact O-N 2.9Å; R1153-N1156 PolarHBondContact O-OD1 3.43Å; A1154-N1156 VanDerWaalsContact C-N 3.25Å; A1154-N1156 PolarHBondContact O-N 2.82Å; N1156-Q1158 PolarHBondContact O-N 3.12Å; N1156-Q1158 PolarHBondContact O-OE1 3.36Å |
| 1157 | A | 90.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | trans | -88.4 | 7.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F731 Y732 V1152 Y1155 Q1159 W1160 F1161 | F731-A1157 HydrophobicContact CE1-CB 4.05Å; F731-A1157 HydrophobicContact CZ-CB 4.33Å; Y732-A1157 HydrophobicContact CD1-CB 3.84Å; Y732-A1157 HydrophobicContact CE1-CB 3.85Å; V1152-A1157 HydrophobicContact CG1-CB 4.37Å; V1152-A1157 PolarHBondContact O-N 3.43Å; Y1155-A1157 PolarHBondContact O-N 3.16Å; A1157-Q1159 VanDerWaalsContact C-N 3.32Å; A1157-Q1159 PolarHBondContact O-N 2.98Å; A1157-W1160 PolarHBondContact O-N 2.91Å; A1157-F1161 HydrophobicContact CB-CD2 4.12Å; A1157-F1161 HydrophobicContact CB-CE2 4.17Å; A1157-F1161 WeakPolarHBondContact O-CD2 3.33Å; A1157-F1161 PolarHBondContact O-N 3.46Å | ||
| 1158 | Q | 92.2 | Very high | 91.2 | Very high | 52 Ų | 52 | 42.1 Ų | 42.1 | 24% | 0.243 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57 | -41.8 | -172.1 | -58.5 | 91.5 | -33 | 0 | 0 | 112.5 | L400 V1152 R1153 N1156 W1160 F1161 R1162 | L400-Q1158 HydrophobicContact CD1-CB 4.27Å; L400-Q1158 HydrophobicContact CD2-CG 4.45Å; V1152-Q1158 HydrophobicContact CG1-CG 4.4Å; R1153-Q1158 HydrophobicContact CG-CG 4.47Å; N1156-Q1158 PolarHBondContact O-N 3.12Å; N1156-Q1158 PolarHBondContact O-OE1 3.36Å; Q1158-W1160 PolarHBondContact O-N 2.95Å; Q1158-F1161 PolarHBondContact O-N 2.8Å; Q1158-R1162 VanDerWaalsContact O-CB 3.31Å; Q1158-R1162 WeakPolarHBondContact O-CB 3.17Å; Q1158-R1162 PolarHBondContact O-N 3.16Å |
| 1159 | Q | 91.9 | Very high | 91.6 | Very high | 161 Ų | 161 | 42 Ų | 42 | 75% | 0.752 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -68.6 | -35.5 | -176.9 | -163.7 | -179.2 | 16.2 | 0 | 0 | 112.5 | A1157 R1162 K1163 | A1157-Q1159 VanDerWaalsContact C-N 3.32Å; A1157-Q1159 PolarHBondContact O-N 2.98Å; Q1159-R1162 PolarHBondContact O-N 2.96Å; Q1159-K1163 PolarHBondContact O-N 3.42Å; Q1159-K1163 VanDerWaalsContact O-N 3.1Å |
| 1160 | W | 91.8 | Very high | 91.8 | Very high | 114 Ų | 114 | 43.5 Ų | 43.5 | 43% | 0.432 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.6 | -50.1 | 176.1 | -177.4 | 95.8 | 0 | 0 | 0 | 110.6 | A1157 Q1158 R1162 K1163 R1164 | A1157-W1160 PolarHBondContact O-N 2.91Å; Q1158-W1160 PolarHBondContact O-N 2.95Å; W1160-R1162 VanDerWaalsContact C-N 3.33Å; W1160-R1162 PolarHBondContact O-N 3.47Å; W1160-K1163 PolarHBondContact O-N 3.29Å; W1160-R1164 PolarHBondContact O-N 2.89Å |
| 1161 | F | 93.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 176.9 | -83.9 | -72.8 | 0 | 0 | 0 | 112.4 | F396 W719 L721 F731 L1141 V1145 V1152 A1157 Q1158 R1164 F1165 | F396-F1161 HydrophobicContact CE1-CB 4.44Å; F396-F1161 HydrophobicContact CZ-CB 4.08Å; W719-F1161 HydrophobicContact CH2-CE2 4.4Å; W719-F1161 HydrophobicContact CH2-CZ 4.09Å; L721-F1161 HydrophobicContact CD2-CE1 4.49Å; L721-F1161 HydrophobicContact CD2-CZ 4.33Å; F731-F1161 AromaticContact CE2-CE2 3.83Å; F731-F1161 HydrophobicContact CE2-CE2 3.83Å; F731-F1161 AromaticContact CE2-CZ 3.69Å; F731-F1161 HydrophobicContact CE2-CZ 3.69Å; F731-F1161 AromaticContact CZ-CE2 3.63Å; F731-F1161 HydrophobicContact CZ-CE2 3.63Å; F731-F1161 AromaticContact CZ-CZ 4Å; F731-F1161 HydrophobicContact CZ-CZ 4Å; L1141-F1161 HydrophobicContact CD1-CD1 3.91Å; L1141-F1161 HydrophobicContact CD1-CE1 3.89Å; V1145-F1161 HydrophobicContact CG2-CB 4.46Å; V1145-F1161 HydrophobicContact CG2-CD1 3.38Å; V1145-F1161 HydrophobicContact CG2-CE1 3.65Å; V1145-F1161 HydrophobicContact CG2-CG 3.93Å; V1145-F1161 HydrophobicContact CG2-CZ 4.41Å; V1152-F1161 HydrophobicContact CG1-CD2 3.75Å; V1152-F1161 HydrophobicContact CG1-CE2 4.15Å; V1152-F1161 HydrophobicContact CG2-CD2 4.19Å; V1152-F1161 HydrophobicContact CG2-CE2 3.86Å; V1152-F1161 HydrophobicContact CG2-CZ 4.42Å; A1157-F1161 HydrophobicContact CB-CD2 4.12Å; A1157-F1161 HydrophobicContact CB-CE2 4.17Å; A1157-F1161 WeakPolarHBondContact O-CD2 3.33Å; A1157-F1161 PolarHBondContact O-N 3.46Å; Q1158-F1161 PolarHBondContact O-N 2.8Å; F1161-R1164 PolarHBondContact O-N 3.45Å; F1161-F1165 WeakPolarHBondContact O-CB 3.48Å; F1161-F1165 PolarHBondContact O-N 3.47Å |
| 1162 | R | 92.7 | Very high | 91.8 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 19% | 0.192 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 175.1 | -172.6 | -176.8 | -168.5 | -152.2 | -0.4 | 112.5 | R255 E259 F396 E397 Q1158 Q1159 W1160 R1164 F1165 D1166 | R255-R1162 VanDerWaalsContact CZ-NH2 3.29Å; E259-R1162 IonicContact OE1-CZ 2.71Å; E259-R1162 IonicContact OE1-NH2 2.68Å; E259-R1162 PolarHBondContact OE1-NH2 3.23Å; F396-R1162 HydrophobicContact CE1-CB 4.37Å; E397-R1162 VanDerWaalsContact CD-NH2 3.27Å; E397-R1162 IonicContact OE1-CZ 2.81Å; E397-R1162 IonicContact OE1-NH2 2.77Å; E397-R1162 PolarHBondContact OE1-NH2 2.68Å; E397-R1162 IonicContact OE2-CZ 2.75Å; E397-R1162 IonicContact OE2-NE 3.06Å; E397-R1162 IonicContact OE2-NH2 2.74Å; E397-R1162 PolarHBondContact OE2-NH2 3.03Å; Q1158-R1162 VanDerWaalsContact O-CB 3.31Å; Q1158-R1162 WeakPolarHBondContact O-CB 3.17Å; Q1158-R1162 PolarHBondContact O-N 3.16Å; Q1159-R1162 PolarHBondContact O-N 2.96Å; W1160-R1162 VanDerWaalsContact C-N 3.33Å; W1160-R1162 PolarHBondContact O-N 3.47Å; R1162-R1164 VanDerWaalsContact C-N 3.33Å; R1162-R1164 PolarHBondContact O-N 3.34Å; R1162-F1165 PolarHBondContact O-N 3.07Å; R1162-D1166 VanDerWaalsContact O-CG 3.26Å; R1162-D1166 PolarHBondContact O-N 3.3Å |
| 1163 | K | 92.4 | Very high | 91.8 | Very high | 155 Ų | 155 | 44.8 Ų | 44.8 | 67% | 0.674 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -65 | -38.1 | 178.2 | -173.5 | 179.1 | 179 | -176.2 | 0 | 111.8 | Q1159 W1160 T1167 | Q1159-K1163 PolarHBondContact O-N 3.42Å; Q1159-K1163 VanDerWaalsContact O-N 3.1Å; W1160-K1163 PolarHBondContact O-N 3.29Å; K1163-T1167 PolarHBondContact O-N 3.17Å; K1163-T1167 VanDerWaalsContact O-N 3.1Å; K1163-T1167 PolarHBondContact O-OG1 3.39Å |
| 1164 | R | 91.8 | Very high | 91.6 | Very high | 115 Ų | 115 | 45.5 Ų | 45.5 | 43% | 0.434 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 174.9 | -177.3 | 59.7 | 174.9 | 146.1 | -1.2 | 111 | L1141 W1160 F1161 R1162 T1167 L1168 | L1141-R1164 HydrophobicContact CD2-CB 4.38Å; L1141-R1164 HydrophobicContact CD2-CG 3.8Å; W1160-R1164 PolarHBondContact O-N 2.89Å; F1161-R1164 PolarHBondContact O-N 3.45Å; R1162-R1164 VanDerWaalsContact C-N 3.33Å; R1162-R1164 PolarHBondContact O-N 3.34Å; R1164-T1167 WeakPolarHBondContact O-CB 3.36Å; R1164-T1167 PolarHBondContact O-N 3.49Å; R1164-L1168 PolarHBondContact O-N 2.98Å; R1164-L1168 VanDerWaalsContact O-N 3.15Å |
| 1165 | F | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 178 | -165.7 | -102.5 | 0 | 0 | 0 | 112.3 | M392 F396 L419 I1138 L1141 F1142 F1161 R1162 T1167 L1168 I1169 | M392-F1165 HydrophobicContact CB-CE1 4.43Å; M392-F1165 WeakPolarHBondContact O-CE1 3.38Å; F396-F1165 HydrophobicContact CB-CD1 3.63Å; F396-F1165 HydrophobicContact CB-CE1 3.41Å; F396-F1165 VanDerWaalsContact CB-CE1 3.41Å; F396-F1165 HydrophobicContact CB-CG 4.31Å; F396-F1165 HydrophobicContact CB-CZ 3.95Å; F396-F1165 HydrophobicContact CD1-CB 3.91Å; F396-F1165 AromaticContact CD1-CD1 3.8Å; F396-F1165 HydrophobicContact CD1-CD1 3.8Å; F396-F1165 HydrophobicContact CD1-CE1 4.44Å; F396-F1165 AromaticContact CD1-CG 3.84Å; F396-F1165 HydrophobicContact CD1-CG 3.84Å; F396-F1165 HydrophobicContact CD2-CD1 4.06Å; F396-F1165 AromaticContact CD2-CD2 3.76Å; F396-F1165 HydrophobicContact CD2-CD2 3.76Å; F396-F1165 HydrophobicContact CD2-CE1 4.13Å; F396-F1165 AromaticContact CD2-CE2 3.85Å; F396-F1165 HydrophobicContact CD2-CE2 3.85Å; F396-F1165 AromaticContact CD2-CG 3.88Å; F396-F1165 HydrophobicContact CD2-CG 3.88Å; F396-F1165 HydrophobicContact CD2-CZ 4.04Å; F396-F1165 HydrophobicContact CE1-CB 3.78Å; F396-F1165 HydrophobicContact CE1-CD1 4.49Å; F396-F1165 HydrophobicContact CE1-CG 4.09Å; F396-F1165 HydrophobicContact CE2-CB 4.4Å; F396-F1165 AromaticContact CE2-CD2 3.84Å; F396-F1165 HydrophobicContact CE2-CD2 3.84Å; F396-F1165 HydrophobicContact CE2-CE2 4.27Å; F396-F1165 HydrophobicContact CE2-CG 4.09Å; F396-F1165 HydrophobicContact CG-CB 4.3Å; F396-F1165 AromaticContact CG-CD1 3.54Å; F396-F1165 HydrophobicContact CG-CD1 3.54Å; F396-F1165 HydrophobicContact CG-CD2 4.09Å; F396-F1165 AromaticContact CG-CE1 3.75Å; F396-F1165 HydrophobicContact CG-CE1 3.75Å; F396-F1165 HydrophobicContact CG-CE2 4.29Å; F396-F1165 AromaticContact CG-CG 3.72Å; F396-F1165 HydrophobicContact CG-CG 3.72Å; F396-F1165 HydrophobicContact CG-CZ 4.14Å; F396-F1165 HydrophobicContact CZ-CB 4.01Å; F396-F1165 HydrophobicContact CZ-CD2 4.29Å; F396-F1165 HydrophobicContact CZ-CG 4.18Å; L419-F1165 HydrophobicContact CD1-CZ 4.42Å; L419-F1165 HydrophobicContact CD2-CZ 4.25Å; I1138-F1165 HydrophobicContact CG2-CD2 4.43Å; I1138-F1165 HydrophobicContact CG2-CE2 3.55Å; I1138-F1165 HydrophobicContact CG2-CZ 3.63Å; L1141-F1165 HydrophobicContact CD2-CB 4.38Å; L1141-F1165 HydrophobicContact CD2-CD2 4.18Å; F1142-F1165 HydrophobicContact CB-CE2 4.13Å; F1142-F1165 HydrophobicContact CD2-CE2 4.32Å; F1142-F1165 HydrophobicContact CD2-CZ 4.29Å; F1161-F1165 WeakPolarHBondContact O-CB 3.48Å; F1161-F1165 PolarHBondContact O-N 3.47Å; R1162-F1165 PolarHBondContact O-N 3.07Å; F1165-T1167 VanDerWaalsContact C-N 3.27Å; F1165-T1167 PolarHBondContact O-N 3.49Å; F1165-L1168 PolarHBondContact O-N 3.08Å; F1165-I1169 HydrophobicContact CD1-CD1 3.62Å; F1165-I1169 HydrophobicContact CD1-CG1 4.37Å; F1165-I1169 HydrophobicContact CE1-CD1 3.49Å; F1165-I1169 VanDerWaalsContact CE1-CD1 3.49Å; F1165-I1169 HydrophobicContact CE1-CG1 4.24Å; F1165-I1169 HydrophobicContact CZ-CD1 4.39Å; F1165-I1169 PolarHBondContact O-N 3.01Å |
| 1166 | D | 93.4 | Very high | 91.2 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -36.4 | 176 | -65.1 | -26 | 0 | 0 | 0 | 112.4 | V251 R255 S393 R1162 I1169 N1170 | V251-D1166 HydrophobicContact CB-CB 4.26Å; V251-D1166 HydrophobicContact CG1-CB 4.03Å; V251-D1166 VanDerWaalsContact CG1-OD1 3.27Å; V251-D1166 WeakPolarHBondContact CG1-OD1 3.42Å; R255-D1166 IonicContact CZ-OD2 3.11Å; R255-D1166 IonicContact NH1-OD1 3.87Å; R255-D1166 PolarHBondContact NH1-OD1 3.22Å; R255-D1166 IonicContact NH1-OD2 3.7Å; R255-D1166 PolarHBondContact NH1-OD2 2.88Å; R255-D1166 IonicContact NH2-OD2 3.69Å; S393-D1166 PolarHBondContact OG-OD1 3.47Å; R1162-D1166 VanDerWaalsContact O-CG 3.26Å; R1162-D1166 PolarHBondContact O-N 3.3Å; D1166-I1169 PolarHBondContact O-N 3.5Å; D1166-N1170 WeakPolarHBondContact O-CB 3.23Å; D1166-N1170 VanDerWaalsContact O-CG 3.29Å; D1166-N1170 PolarHBondContact O-N 2.88Å; D1166-N1170 PolarHBondContact O-ND2 3.38Å; D1166-N1170 VanDerWaalsContact O-ND2 3.08Å |
| 1167 | T | 92.1 | Very high | 91.1 | Very high | 58 Ų | 58 | 43.8 Ų | 43.8 | 36% | 0.356 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 177.3 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | K1163 R1164 F1165 N1170 E1171 | K1163-T1167 PolarHBondContact O-N 3.17Å; K1163-T1167 VanDerWaalsContact O-N 3.1Å; K1163-T1167 PolarHBondContact O-OG1 3.39Å; R1164-T1167 WeakPolarHBondContact O-CB 3.36Å; R1164-T1167 PolarHBondContact O-N 3.49Å; F1165-T1167 VanDerWaalsContact C-N 3.27Å; F1165-T1167 PolarHBondContact O-N 3.49Å; T1167-N1170 PolarHBondContact O-N 3.33Å; T1167-E1171 WeakPolarHBondContact O-CG 3.5Å; T1167-E1171 PolarHBondContact O-N 3.23Å |
| 1168 | L | 92.1 | Very high | 90.7 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 177 | -64.6 | 175.2 | 0 | 0 | 0 | 111.9 | P1137 I1138 L1141 R1164 F1165 E1171 N1172 | P1137-L1168 HydrophobicContact CB-CD1 4.19Å; P1137-L1168 HydrophobicContact CB-CD2 4.16Å; I1138-L1168 HydrophobicContact CG1-CB 3.71Å; L1141-L1168 HydrophobicContact CB-CD1 4.32Å; L1141-L1168 HydrophobicContact CD2-CD1 3.67Å; R1164-L1168 PolarHBondContact O-N 2.98Å; R1164-L1168 VanDerWaalsContact O-N 3.15Å; F1165-L1168 PolarHBondContact O-N 3.08Å; L1168-E1171 PolarHBondContact O-N 3.32Å; L1168-N1172 PolarHBondContact O-N 3.05Å |
| 1169 | I | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 173.4 | -65.2 | 167.2 | 0 | 0 | 0 | 110.4 | V251 M392 I1138 F1165 D1166 E1171 N1172 Q1173 | V251-I1169 HydrophobicContact CG2-CB 3.8Å; V251-I1169 HydrophobicContact CG2-CG2 3.39Å; M392-I1169 HydrophobicContact CB-CD1 3.69Å; M392-I1169 HydrophobicContact CB-CG1 4.36Å; M392-I1169 HydrophobicContact SD-CG1 4.42Å; I1138-I1169 HydrophobicContact CD1-CG1 4.2Å; F1165-I1169 HydrophobicContact CD1-CD1 3.62Å; F1165-I1169 HydrophobicContact CD1-CG1 4.37Å; F1165-I1169 HydrophobicContact CE1-CD1 3.49Å; F1165-I1169 VanDerWaalsContact CE1-CD1 3.49Å; F1165-I1169 HydrophobicContact CE1-CG1 4.24Å; F1165-I1169 HydrophobicContact CZ-CD1 4.39Å; F1165-I1169 PolarHBondContact O-N 3.01Å; D1166-I1169 PolarHBondContact O-N 3.5Å; I1169-E1171 VanDerWaalsContact C-N 3.33Å; I1169-E1171 PolarHBondContact O-N 3.04Å; I1169-N1172 WeakPolarHBondContact O-CB 3.34Å; I1169-N1172 PolarHBondContact O-N 3.3Å; I1169-N1172 VanDerWaalsContact O-N 3.14Å; I1169-Q1173 HydrophobicContact CG2-CG 4.25Å; I1169-Q1173 WeakPolarHBondContact O-CG 3.5Å; I1169-Q1173 PolarHBondContact O-N 3.47Å |
| 1170 | N | 93.4 | Very high | 89.9 | Confident | 34 Ų | 34 | 36.8 Ų | 36.8 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.4 | -42.5 | 178 | -74.4 | -41.2 | 0 | 0 | 0 | 111.6 | L245 V251 D1166 T1167 N1172 Q1173 M1174 | L245-N1170 HydrophobicContact CD1-CB 3.89Å; L245-N1170 WeakPolarHBondContact CD1-O 3.4Å; V251-N1170 VanDerWaalsContact CG2-OD1 3.27Å; V251-N1170 WeakPolarHBondContact CG2-OD1 3.36Å; V251-N1170 PolarHBondContact N-OD1 2.98Å; D1166-N1170 WeakPolarHBondContact O-CB 3.23Å; D1166-N1170 VanDerWaalsContact O-CG 3.29Å; D1166-N1170 PolarHBondContact O-N 2.88Å; D1166-N1170 PolarHBondContact O-ND2 3.38Å; D1166-N1170 VanDerWaalsContact O-ND2 3.08Å; T1167-N1170 PolarHBondContact O-N 3.33Å; N1170-N1172 VanDerWaalsContact C-N 3.32Å; N1170-N1172 PolarHBondContact O-N 2.9Å; N1170-Q1173 PolarHBondContact O-N 3.23Å; N1170-M1174 VanDerWaalsContact O-CG 3.29Å; N1170-M1174 WeakPolarHBondContact O-CG 3.38Å; N1170-M1174 PolarHBondContact O-N 3.3Å |
| 1171 | E | 88.7 | Confident | 89.5 | Confident | 59 Ų | 59 | 32.6 Ų | 32.6 | 28% | 0.276 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 174.6 | -72.7 | -169 | 158.1 | 0 | 0 | 111.8 | K239 T1167 L1168 I1169 M1174 N1175 | K239-E1171 IonicContact NZ-OE1 2.95Å; K239-E1171 PolarHBondContact NZ-OE1 2.83Å; K239-E1171 IonicContact NZ-OE2 3.11Å; T1167-E1171 WeakPolarHBondContact O-CG 3.5Å; T1167-E1171 PolarHBondContact O-N 3.23Å; L1168-E1171 PolarHBondContact O-N 3.32Å; I1169-E1171 VanDerWaalsContact C-N 3.33Å; I1169-E1171 PolarHBondContact O-N 3.04Å; E1171-M1174 WeakPolarHBondContact O-CB 3.42Å; E1171-M1174 PolarHBondContact O-N 3.03Å; E1171-N1175 PolarHBondContact O-N 3.39Å; E1171-N1175 PolarHBondContact O-ND2 3.33Å |
| 1172 | N | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 174.8 | -179.8 | 60.1 | 0 | 0 | 0 | 112.6 | E1131 S1134 L1135 I1138 L1168 I1169 N1170 M1174 N1175 Y1176 | E1131-N1172 PolarHBondContact O-OD1 3.27Å; S1134-N1172 WeakPolarHBondContact OG-CA 3.32Å; S1134-N1172 PolarHBondContact OG-OD1 2.74Å; L1135-N1172 VanDerWaalsContact CD2-ND2 3.34Å; L1135-N1172 WeakPolarHBondContact CD2-ND2 3.48Å; L1135-N1172 WeakPolarHBondContact CG-OD1 3.46Å; I1138-N1172 HydrophobicContact CD1-CB 3.8Å; L1168-N1172 PolarHBondContact O-N 3.05Å; I1169-N1172 WeakPolarHBondContact O-CB 3.34Å; I1169-N1172 PolarHBondContact O-N 3.3Å; I1169-N1172 VanDerWaalsContact O-N 3.14Å; N1170-N1172 VanDerWaalsContact C-N 3.32Å; N1170-N1172 PolarHBondContact O-N 2.9Å; N1172-M1174 VanDerWaalsContact C-N 3.3Å; N1172-M1174 PolarHBondContact O-N 3.32Å; N1172-N1175 WeakPolarHBondContact O-CB 3.49Å; N1172-N1175 PolarHBondContact O-N 3.11Å; N1172-N1175 VanDerWaalsContact O-N 3.12Å; N1172-Y1176 WeakPolarHBondContact O-CB 3.15Å; N1172-Y1176 PolarHBondContact O-N 3.43Å |
| 1173 | Q | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.4 | -31.8 | 177 | -60.1 | -51.1 | -15.4 | 0 | 0 | 112.8 | L245 M385 S389 I1169 N1170 N1175 Y1176 F1177 | L245-Q1173 HydrophobicContact CD1-CB 3.91Å; L245-Q1173 HydrophobicContact CD2-CB 3.96Å; M385-Q1173 HydrophobicContact CG-CG 4.46Å; S389-Q1173 VanDerWaalsContact OG-CG 3.32Å; S389-Q1173 WeakPolarHBondContact OG-CG 3.49Å; S389-Q1173 PolarHBondContact OG-NE2 3.49Å; I1169-Q1173 HydrophobicContact CG2-CG 4.25Å; I1169-Q1173 WeakPolarHBondContact O-CG 3.5Å; I1169-Q1173 PolarHBondContact O-N 3.47Å; N1170-Q1173 PolarHBondContact O-N 3.23Å; Q1173-N1175 PolarHBondContact O-N 2.96Å; Q1173-Y1176 PolarHBondContact O-N 3.23Å; Q1173-F1177 WeakPolarHBondContact O-CB 3.32Å; Q1173-F1177 PolarHBondContact O-N 3.02Å |
| 1174 | M | 87.3 | Confident | 87.8 | Confident | 32 Ų | 32 | 27.2 Ų | 27.2 | 16% | 0.158 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62 | -29.7 | 172.8 | -72.2 | 173.5 | 57.4 | 0 | 0 | 112.5 | L242 L244 L245 N1170 E1171 N1172 P1178 | L242-M1174 HydrophobicContact CB-CE 4.41Å; L244-M1174 HydrophobicContact CD2-CE 3.95Å; L244-M1174 HydrophobicContact CD2-SD 4.39Å; L245-M1174 HydrophobicContact CD1-CG 4.17Å; L245-M1174 HydrophobicContact CD2-CG 4.36Å; L245-M1174 HydrophobicContact CG-CG 3.73Å; N1170-M1174 VanDerWaalsContact O-CG 3.29Å; N1170-M1174 WeakPolarHBondContact O-CG 3.38Å; N1170-M1174 PolarHBondContact O-N 3.3Å; E1171-M1174 WeakPolarHBondContact O-CB 3.42Å; E1171-M1174 PolarHBondContact O-N 3.03Å; N1172-M1174 VanDerWaalsContact C-N 3.3Å; N1172-M1174 PolarHBondContact O-N 3.32Å; M1174-P1178 WeakPolarHBondContact O-CD 3.34Å; M1174-P1178 WeakPolarHBondContact O-CG 3.42Å |
| 1175 | N | 85.9 | Confident | 87.4 | Confident | 14 Ų | 14 | 22.8 Ų | 22.8 | 8% | 0.075 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -83.4 | -40.8 | 174.4 | -65.8 | -42.6 | 0 | 0 | 0 | 112.6 | L242 M1130 E1131 S1134 E1171 N1172 Q1173 P1178 | L242-N1175 WeakPolarHBondContact CD1-OD1 3.38Å; M1130-N1175 HydrophobicContact CB-CB 4.31Å; M1130-N1175 PolarHBondContact O-ND2 3.06Å; E1131-N1175 HydrophobicContact CB-CB 4.16Å; S1134-N1175 VanDerWaalsContact CB-ND2 3.26Å; S1134-N1175 WeakPolarHBondContact CB-ND2 3.27Å; S1134-N1175 PolarHBondContact OG-ND2 3.43Å; E1171-N1175 PolarHBondContact O-N 3.39Å; E1171-N1175 PolarHBondContact O-ND2 3.33Å; N1172-N1175 WeakPolarHBondContact O-CB 3.49Å; N1172-N1175 PolarHBondContact O-N 3.11Å; N1172-N1175 VanDerWaalsContact O-N 3.12Å; Q1173-N1175 PolarHBondContact O-N 2.96Å; N1175-P1178 WeakPolarHBondContact O-CD 3.37Å |
| 1176 | Y | 87.2 | Confident | 86.8 | Confident | 25 Ų | 25 | 23.1 Ų | 23.1 | 10% | 0.098 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.1 | -37.6 | -176 | -176.1 | -106.9 | 0 | 0 | 0 | 113.2 | M385 E1131 N1172 Q1173 K1179 I1180 | M385-Y1176 HydrophobicContact CB-CD1 4.26Å; M385-Y1176 HydrophobicContact CB-CE1 4.08Å; M385-Y1176 HydrophobicContact CG-CD1 3.78Å; M385-Y1176 HydrophobicContact CG-CE1 4.11Å; M385-Y1176 HydrophobicContact SD-CD1 4.18Å; E1131-Y1176 HydrophobicContact CG-CD2 4.06Å; N1172-Y1176 WeakPolarHBondContact O-CB 3.15Å; N1172-Y1176 PolarHBondContact O-N 3.43Å; Q1173-Y1176 PolarHBondContact O-N 3.23Å; Y1176-K1179 HydrophobicContact CD2-CD 4.47Å; Y1176-K1179 VanDerWaalsContact O-CB 3.32Å; Y1176-K1179 WeakPolarHBondContact O-CB 2.94Å; Y1176-K1179 PolarHBondContact O-N 3.41Å; Y1176-I1180 HydrophobicContact CD1-CD1 3.59Å; Y1176-I1180 HydrophobicContact CD1-CG1 4.39Å; Y1176-I1180 HydrophobicContact CE1-CD1 3.1Å; Y1176-I1180 HydrophobicContact CE1-CG1 3.98Å; Y1176-I1180 HydrophobicContact CE2-CD1 4.47Å; Y1176-I1180 HydrophobicContact CG-CD1 4.46Å; Y1176-I1180 PolarHBondContact O-N 3.48Å |
| 1177 | F | 86.5 | Confident | 86.3 | Confident | 23 Ų | 23 | 22.9 Ų | 22.9 | 10% | 0.101 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | -177.7 | -177.5 | -108.7 | 0 | 0 | 0 | 113.8 | W243 R382 M385 Q1173 K1179 I1180 I1181 | W243-F1177 HydrophobicContact CE3-CD1 4.04Å; W243-F1177 HydrophobicContact CE3-CE1 4.19Å; W243-F1177 HydrophobicContact CZ3-CD1 4.32Å; W243-F1177 HydrophobicContact CZ3-CE1 4.33Å; R382-F1177 HydrophobicContact CG-CE2 4.49Å; M385-F1177 HydrophobicContact CE-CD2 4.04Å; M385-F1177 HydrophobicContact SD-CB 3.71Å; M385-F1177 HydrophobicContact SD-CD2 3.79Å; M385-F1177 HydrophobicContact SD-CG 4.19Å; Q1173-F1177 WeakPolarHBondContact O-CB 3.32Å; Q1173-F1177 PolarHBondContact O-N 3.02Å; F1177-K1179 VanDerWaalsContact C-N 3.27Å; F1177-K1179 PolarHBondContact O-N 2.74Å; F1177-I1180 PolarHBondContact O-N 3.06Å; F1177-I1181 HydrophobicContact CD1-CG1 4.47Å; F1177-I1181 HydrophobicContact CD2-CG1 4.43Å; F1177-I1181 HydrophobicContact CE1-CG1 4.1Å; F1177-I1181 HydrophobicContact CE2-CD1 4.17Å; F1177-I1181 HydrophobicContact CE2-CG1 4.04Å; F1177-I1181 HydrophobicContact CZ-CD1 4.1Å; F1177-I1181 HydrophobicContact CZ-CG1 3.88Å; F1177-I1181 WeakPolarHBondContact O-CG1 3.48Å; F1177-I1181 PolarHBondContact O-N 3.29Å |
| 1178 | P | 83.5 | Confident | 85.8 | Confident | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.032 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.1 | -34.5 | 173.5 | -24.8 | 34.5 | 0 | 0 | 0 | 113.7 | L242 W243 L1127 M1174 N1175 I1181 S1182 | L242-P1178 HydrophobicContact CD2-CG 4.36Å; W243-P1178 HydrophobicContact CE3-CG 4Å; W243-P1178 HydrophobicContact CZ3-CB 4.18Å; W243-P1178 HydrophobicContact CZ3-CG 4.15Å; L1127-P1178 HydrophobicContact CD1-CB 3.96Å; L1127-P1178 HydrophobicContact CD2-CB 3.88Å; M1174-P1178 WeakPolarHBondContact O-CD 3.34Å; M1174-P1178 WeakPolarHBondContact O-CG 3.42Å; N1175-P1178 WeakPolarHBondContact O-CD 3.37Å; P1178-I1181 PolarHBondContact O-N 3.22Å; P1178-S1182 VanDerWaalsContact O-CB 3.29Å; P1178-S1182 WeakPolarHBondContact O-CB 3.37Å; P1178-S1182 PolarHBondContact O-N 3.21Å; P1178-S1182 PolarHBondContact O-OG 3.35Å |
| 1179 | K | 83.9 | Confident | 85.5 | Confident | 50 Ų | 50 | 23.8 Ų | 23.8 | 22% | 0.217 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.2 | -52.9 | 176.8 | -177.9 | -170.2 | 176.7 | -173.5 | 0 | 110.6 | L1127 E1131 Y1176 F1177 I1181 S1182 N1183 | L1127-K1179 HydrophobicContact CB-CB 4.18Å; E1131-K1179 IonicContact OE2-NZ 3.62Å; E1131-K1179 PolarHBondContact OE2-NZ 3.41Å; Y1176-K1179 HydrophobicContact CD2-CD 4.47Å; Y1176-K1179 VanDerWaalsContact O-CB 3.32Å; Y1176-K1179 WeakPolarHBondContact O-CB 2.94Å; Y1176-K1179 PolarHBondContact O-N 3.41Å; F1177-K1179 VanDerWaalsContact C-N 3.27Å; F1177-K1179 PolarHBondContact O-N 2.74Å; K1179-I1181 PolarHBondContact O-N 3.04Å; K1179-S1182 PolarHBondContact O-N 3.02Å; K1179-S1182 PolarHBondContact O-OG 3.15Å; K1179-N1183 PolarHBondContact O-N 3.48Å |
| 1180 | I | 83.4 | Confident | 85 | Confident | 15 Ų | 15 | 24 Ų | 24 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.8 | -50 | 177.4 | -66.4 | 164.7 | 0 | 0 | 0 | 111.1 | F381 Y1176 F1177 S1182 N1183 R1184 | F381-I1180 HydrophobicContact CB-CD1 3.98Å; F381-I1180 HydrophobicContact CB-CG1 4.37Å; F381-I1180 HydrophobicContact CB-CG2 3.55Å; F381-I1180 HydrophobicContact CD2-CG2 4.15Å; F381-I1180 HydrophobicContact CG-CG2 3.97Å; Y1176-I1180 HydrophobicContact CD1-CD1 3.59Å; Y1176-I1180 HydrophobicContact CD1-CG1 4.39Å; Y1176-I1180 HydrophobicContact CE1-CD1 3.1Å; Y1176-I1180 HydrophobicContact CE1-CG1 3.98Å; Y1176-I1180 HydrophobicContact CE2-CD1 4.47Å; Y1176-I1180 HydrophobicContact CG-CD1 4.46Å; Y1176-I1180 PolarHBondContact O-N 3.48Å; F1177-I1180 PolarHBondContact O-N 3.06Å; I1180-S1182 VanDerWaalsContact C-N 3.3Å; I1180-S1182 PolarHBondContact O-N 3.35Å; I1180-N1183 PolarHBondContact O-N 3.47Å; I1180-R1184 PolarHBondContact O-N 3.15Å; I1180-R1184 VanDerWaalsContact O-N 3.12Å |
| 1181 | I | 82.2 | Confident | 84.6 | Confident | 26 Ų | 26 | 22.7 Ų | 22.7 | 13% | 0.133 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | -176.3 | -63.3 | -61.2 | 0 | 0 | 0 | 111.6 | F1177 P1178 K1179 R1184 W1185 | F1177-I1181 HydrophobicContact CD1-CG1 4.47Å; F1177-I1181 HydrophobicContact CD2-CG1 4.43Å; F1177-I1181 HydrophobicContact CE1-CG1 4.1Å; F1177-I1181 HydrophobicContact CE2-CD1 4.17Å; F1177-I1181 HydrophobicContact CE2-CG1 4.04Å; F1177-I1181 HydrophobicContact CZ-CD1 4.1Å; F1177-I1181 HydrophobicContact CZ-CG1 3.88Å; F1177-I1181 WeakPolarHBondContact O-CG1 3.48Å; F1177-I1181 PolarHBondContact O-N 3.29Å; P1178-I1181 PolarHBondContact O-N 3.22Å; K1179-I1181 PolarHBondContact O-N 3.04Å; I1181-R1184 PolarHBondContact O-N 3.24Å; I1181-W1185 WeakPolarHBondContact O-CB 3.36Å; I1181-W1185 PolarHBondContact O-N 3.32Å |
| 1182 | S | 80.2 | Confident | 84.5 | Confident | 15 Ų | 15 | 24.3 Ų | 24.3 | 11% | 0.105 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 175.9 | 75.1 | 0 | 0 | 0 | 0 | 112.1 | Y1120 P1178 K1179 I1180 W1185 L1186 | Y1120-S1182 WeakPolarHBondContact CE2-O 3.45Å; P1178-S1182 VanDerWaalsContact O-CB 3.29Å; P1178-S1182 WeakPolarHBondContact O-CB 3.37Å; P1178-S1182 PolarHBondContact O-N 3.21Å; P1178-S1182 PolarHBondContact O-OG 3.35Å; K1179-S1182 PolarHBondContact O-N 3.02Å; K1179-S1182 PolarHBondContact O-OG 3.15Å; I1180-S1182 VanDerWaalsContact C-N 3.3Å; I1180-S1182 PolarHBondContact O-N 3.35Å; S1182-W1185 WeakPolarHBondContact O-CB 3.34Å; S1182-W1185 PolarHBondContact O-N 3.03Å; S1182-L1186 PolarHBondContact O-N 3.3Å |
| 1183 | N | 79.5 | Confident | 84.3 | Confident | 51 Ų | 51 | 24.7 Ų | 24.7 | 27% | 0.273 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 176.9 | -178 | -24.2 | 0 | 0 | 0 | 110.4 | K1179 I1180 W1185 L1186 A1187 | K1179-N1183 PolarHBondContact O-N 3.48Å; I1180-N1183 PolarHBondContact O-N 3.47Å; N1183-W1185 VanDerWaalsContact C-N 3.35Å; N1183-W1185 PolarHBondContact O-N 2.97Å; N1183-L1186 PolarHBondContact O-N 2.99Å; N1183-A1187 PolarHBondContact O-N 3.43Å |
| 1184 | R | 83.9 | Confident | 84.2 | Confident | 29 Ų | 29 | 24.7 Ų | 24.7 | 11% | 0.109 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 175.1 | -61 | -56.2 | 82.9 | 169.9 | 6.8 | 113.1 | A378 I1180 I1181 L1186 A1187 V1188 | A378-R1184 HydrophobicContact CB-CG 4.31Å; I1180-R1184 PolarHBondContact O-N 3.15Å; I1180-R1184 VanDerWaalsContact O-N 3.12Å; I1181-R1184 PolarHBondContact O-N 3.24Å; R1184-L1186 VanDerWaalsContact C-N 3.31Å; R1184-L1186 PolarHBondContact O-N 3.25Å; R1184-A1187 PolarHBondContact O-N 2.84Å; R1184-V1188 WeakPolarHBondContact O-CG2 3.47Å; R1184-V1188 PolarHBondContact O-N 3Å; R1184-V1188 VanDerWaalsContact O-N 3.11Å |
| 1185 | W | 82.2 | Confident | 84.2 | Confident | 22 Ų | 22 | 23.6 Ų | 23.6 | 8% | 0.083 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.1 | -46.4 | 174.6 | 174.3 | 103.1 | 0 | 0 | 0 | 110.9 | I222 F226 L1116 F1119 I1181 S1182 N1183 R1189 | I222-W1185 HydrophobicContact CG2-CB 4.01Å; I222-W1185 HydrophobicContact CG2-CG 3.93Å; F226-W1185 AromaticContact CD2-CE2 3.73Å; F226-W1185 AromaticContact CD2-CZ2 3.67Å; F226-W1185 HydrophobicContact CD2-CZ2 3.67Å; F226-W1185 AromaticContact CD2-NE1 3.6Å; F226-W1185 AromaticContact CE2-CE2 3.87Å; F226-W1185 AromaticContact CE2-CH2 3.85Å; F226-W1185 HydrophobicContact CE2-CH2 3.85Å; F226-W1185 AromaticContact CE2-CZ2 3.3Å; F226-W1185 HydrophobicContact CE2-CZ2 3.3Å; F226-W1185 HydrophobicContact CZ-CZ2 4.4Å; L1116-W1185 HydrophobicContact CD2-CH2 3.7Å; L1116-W1185 HydrophobicContact CD2-CZ2 4.47Å; L1116-W1185 HydrophobicContact CD2-CZ3 4.43Å; F1119-W1185 AromaticContact CD1-CH2 3.94Å; F1119-W1185 HydrophobicContact CD1-CH2 3.94Å; F1119-W1185 HydrophobicContact CD1-CZ3 4.12Å; F1119-W1185 HydrophobicContact CE1-CH2 4.01Å; F1119-W1185 HydrophobicContact CE1-CZ3 4.31Å; I1181-W1185 WeakPolarHBondContact O-CB 3.36Å; I1181-W1185 PolarHBondContact O-N 3.32Å; S1182-W1185 WeakPolarHBondContact O-CB 3.34Å; S1182-W1185 PolarHBondContact O-N 3.03Å; N1183-W1185 VanDerWaalsContact C-N 3.35Å; N1183-W1185 PolarHBondContact O-N 2.97Å; W1185-R1189 HydrophobicContact CD2-CG 4.36Å; W1185-R1189 HydrophobicContact CH2-CG 4.33Å; W1185-R1189 HydrophobicContact CZ2-CG 4.06Å; W1185-R1189 WeakPolarHBondContact O-CG 3.34Å; W1185-R1189 PolarHBondContact O-N 3.4Å |
| 1186 | L | 81.5 | Confident | 84.4 | Confident | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 179.6 | 175.8 | 67.4 | 0 | 0 | 0 | 111.3 | Y1120 S1182 N1183 R1184 V1188 R1189 I1190 M1237 | Y1120-L1186 HydrophobicContact CD1-CD2 3.33Å; Y1120-L1186 HydrophobicContact CD1-CG 4.45Å; Y1120-L1186 HydrophobicContact CD2-CB 3.79Å; Y1120-L1186 HydrophobicContact CD2-CD2 3.89Å; Y1120-L1186 HydrophobicContact CD2-CG 4.31Å; Y1120-L1186 HydrophobicContact CE1-CD2 3.52Å; Y1120-L1186 HydrophobicContact CE2-CB 4.03Å; Y1120-L1186 HydrophobicContact CE2-CD2 4.09Å; Y1120-L1186 HydrophobicContact CG-CB 4.15Å; Y1120-L1186 HydrophobicContact CG-CD1 4.32Å; Y1120-L1186 HydrophobicContact CG-CD2 3.49Å; Y1120-L1186 VanDerWaalsContact CG-CD2 3.49Å; Y1120-L1186 HydrophobicContact CG-CG 4.17Å; S1182-L1186 PolarHBondContact O-N 3.3Å; N1183-L1186 PolarHBondContact O-N 2.99Å; R1184-L1186 VanDerWaalsContact C-N 3.31Å; R1184-L1186 PolarHBondContact O-N 3.25Å; L1186-V1188 VanDerWaalsContact C-N 3.33Å; L1186-V1188 PolarHBondContact O-N 3.19Å; L1186-R1189 WeakPolarHBondContact O-CA 3.44Å; L1186-R1189 WeakPolarHBondContact O-CB 3.47Å; L1186-R1189 PolarHBondContact O-N 3.3Å; L1186-I1190 HydrophobicContact CD1-CD1 3.84Å; L1186-I1190 HydrophobicContact CD1-CG1 4.03Å; L1186-I1190 HydrophobicContact CD2-CD1 3.99Å; L1186-I1190 HydrophobicContact CG-CD1 3.58Å; L1186-I1190 HydrophobicContact CG-CG1 4.21Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.46Å; L1186-I1190 PolarHBondContact O-N 2.84Å; L1186-M1237 HydrophobicContact CD1-CE 4.22Å; L1186-M1237 HydrophobicContact CD2-CE 3.41Å; L1186-M1237 VanDerWaalsContact CD2-CE 3.41Å; L1186-M1237 HydrophobicContact CG-CE 4.39Å |
| 1187 | A | 82.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 6% | 0.058 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.7 | -45.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q374 N1183 R1184 R1189 I1190 E1191 | Q374-A1187 HydrophobicContact CG-CB 4.31Å; N1183-A1187 PolarHBondContact O-N 3.43Å; R1184-A1187 PolarHBondContact O-N 2.84Å; A1187-R1189 PolarHBondContact O-N 3.44Å; A1187-I1190 PolarHBondContact O-N 3.43Å; A1187-E1191 WeakPolarHBondContact O-CB 3.38Å; A1187-E1191 WeakPolarHBondContact O-CG 3.4Å; A1187-E1191 PolarHBondContact O-N 3.43Å |
| 1188 | V | 82.5 | Confident | 84.5 | Confident | 16 Ų | 16 | 23.6 Ų | 23.6 | 10% | 0.097 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58 | -36.7 | 174.6 | 172.6 | 0 | 0 | 0 | 0 | 112 | L371 Q374 R1184 L1186 F1192 | L371-V1188 HydrophobicContact CD2-CG1 3.92Å; Q374-V1188 HydrophobicContact CB-CG2 3.55Å; Q374-V1188 HydrophobicContact CG-CG2 3.62Å; R1184-V1188 WeakPolarHBondContact O-CG2 3.47Å; R1184-V1188 PolarHBondContact O-N 3Å; R1184-V1188 VanDerWaalsContact O-N 3.11Å; L1186-V1188 VanDerWaalsContact C-N 3.33Å; L1186-V1188 PolarHBondContact O-N 3.19Å; V1188-F1192 VanDerWaalsContact O-CB 3.25Å; V1188-F1192 WeakPolarHBondContact O-CB 3.33Å; V1188-F1192 PolarHBondContact O-N 2.92Å; V1188-F1192 VanDerWaalsContact O-N 3.1Å |
| 1189 | R | 84.5 | Confident | 84.8 | Confident | 70 Ų | 70 | 25.8 Ų | 25.8 | 26% | 0.264 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -74.5 | -39.9 | 179.7 | -61.9 | -59.4 | 174.4 | -170 | -3.5 | 112.6 | L1116 W1185 L1186 A1187 F1192 I1193 | L1116-R1189 HydrophobicContact CD1-CB 4.05Å; W1185-R1189 HydrophobicContact CD2-CG 4.36Å; W1185-R1189 HydrophobicContact CH2-CG 4.33Å; W1185-R1189 HydrophobicContact CZ2-CG 4.06Å; W1185-R1189 WeakPolarHBondContact O-CG 3.34Å; W1185-R1189 PolarHBondContact O-N 3.4Å; L1186-R1189 WeakPolarHBondContact O-CA 3.44Å; L1186-R1189 WeakPolarHBondContact O-CB 3.47Å; L1186-R1189 PolarHBondContact O-N 3.3Å; A1187-R1189 PolarHBondContact O-N 3.44Å; R1189-F1192 PolarHBondContact O-N 3.26Å; R1189-I1193 WeakPolarHBondContact O-CG1 3.26Å; R1189-I1193 PolarHBondContact O-N 3.03Å |
| 1190 | I | 84.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.015 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67 | -46.3 | 177.7 | -64.4 | 164.4 | 0 | 0 | 0 | 110 | L1186 A1187 F1192 I1193 S1194 L1233 N1234 M1237 | L1186-I1190 HydrophobicContact CD1-CD1 3.84Å; L1186-I1190 HydrophobicContact CD1-CG1 4.03Å; L1186-I1190 HydrophobicContact CD2-CD1 3.99Å; L1186-I1190 HydrophobicContact CG-CD1 3.58Å; L1186-I1190 HydrophobicContact CG-CG1 4.21Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.46Å; L1186-I1190 PolarHBondContact O-N 2.84Å; A1187-I1190 PolarHBondContact O-N 3.43Å; I1190-F1192 PolarHBondContact O-N 3.44Å; I1190-I1193 WeakPolarHBondContact O-CB 3.38Å; I1190-I1193 PolarHBondContact O-N 2.61Å; I1190-I1193 VanDerWaalsContact O-N 3.09Å; I1190-S1194 PolarHBondContact O-N 3.38Å; I1190-S1194 PolarHBondContact O-OG 3.1Å; I1190-L1233 HydrophobicContact CG2-CB 3.8Å; I1190-N1234 WeakPolarHBondContact CB-OD1 3.35Å; I1190-N1234 VanDerWaalsContact CG2-OD1 3.3Å; I1190-N1234 WeakPolarHBondContact CG2-OD1 3.42Å; I1190-M1237 HydrophobicContact CD1-CB 3.91Å; I1190-M1237 HydrophobicContact CD1-CG 3.52Å |
| 1191 | E | 85.2 | Confident | 85.3 | Confident | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.5 | -33.1 | 177.7 | -71.5 | 178 | -170 | 0 | 0 | 112.4 | S370 Q374 A1187 S1194 T1195 T1230 N1234 | S370-E1191 WeakPolarHBondContact CA-OE2 3.49Å; S370-E1191 WeakPolarHBondContact CB-OE2 3.27Å; S370-E1191 WeakPolarHBondContact OG-CB 3.23Å; S370-E1191 PolarHBondContact OG-OE2 3.48Å; Q374-E1191 PolarHBondContact NE2-OE1 2.81Å; A1187-E1191 WeakPolarHBondContact O-CB 3.38Å; A1187-E1191 WeakPolarHBondContact O-CG 3.4Å; A1187-E1191 PolarHBondContact O-N 3.43Å; E1191-S1194 WeakPolarHBondContact CA-OG 3.32Å; E1191-S1194 PolarHBondContact O-OG 3.32Å; E1191-T1195 WeakPolarHBondContact O-CB 3.44Å; E1191-T1195 PolarHBondContact O-N 2.59Å; E1191-T1195 PolarHBondContact O-OG1 3.14Å; E1191-T1230 HydrophobicContact CB-CG2 4.37Å; E1191-T1230 HydrophobicContact CG-CG2 3.95Å; E1191-N1234 VanDerWaalsContact CG-ND2 3.31Å; E1191-N1234 WeakPolarHBondContact CG-ND2 3.44Å; E1191-N1234 PolarHBondContact OE1-ND2 2.9Å |
| 1192 | F | 85.9 | Confident | 85.7 | Confident | 93 Ų | 93 | 22.4 Ų | 22.4 | 41% | 0.408 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 172.2 | -173 | -104.2 | 0 | 0 | 0 | 111.9 | I367 V1188 R1189 I1190 T1195 I1196 | I367-F1192 HydrophobicContact CD1-CD2 4.47Å; I367-F1192 HydrophobicContact CD1-CE2 4Å; I367-F1192 HydrophobicContact CG1-CD2 4.21Å; I367-F1192 HydrophobicContact CG1-CE2 4.25Å; V1188-F1192 VanDerWaalsContact O-CB 3.25Å; V1188-F1192 WeakPolarHBondContact O-CB 3.33Å; V1188-F1192 PolarHBondContact O-N 2.92Å; V1188-F1192 VanDerWaalsContact O-N 3.1Å; R1189-F1192 PolarHBondContact O-N 3.26Å; I1190-F1192 PolarHBondContact O-N 3.44Å; F1192-T1195 PolarHBondContact O-N 3.18Å; F1192-I1196 HydrophobicContact CD1-CD1 3.76Å; F1192-I1196 HydrophobicContact CE1-CD1 3.38Å; F1192-I1196 HydrophobicContact CE1-CG1 4.39Å; F1192-I1196 HydrophobicContact CZ-CD1 3.86Å; F1192-I1196 WeakPolarHBondContact O-CG1 3.17Å; F1192-I1196 PolarHBondContact O-N 3.21Å |
| 1193 | I | 87.8 | Confident | 86.1 | Confident | 8 Ų | 8 | 23.3 Ų | 23.3 | 4% | 0.041 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.9 | -72.6 | 169.9 | 0 | 0 | 0 | 111 | L1109 L1112 L1116 R1189 I1190 I1196 M1197 | L1109-I1193 HydrophobicContact CB-CG2 4.28Å; L1109-I1193 HydrophobicContact CD2-CG2 4.17Å; L1112-I1193 HydrophobicContact CD2-CD1 3.67Å; L1112-I1193 HydrophobicContact CD2-CG1 3.87Å; L1112-I1193 HydrophobicContact CG-CD1 3.79Å; L1116-I1193 HydrophobicContact CD1-CD1 3.45Å; L1116-I1193 VanDerWaalsContact CD1-CD1 3.45Å; R1189-I1193 WeakPolarHBondContact O-CG1 3.26Å; R1189-I1193 PolarHBondContact O-N 3.03Å; I1190-I1193 WeakPolarHBondContact O-CB 3.38Å; I1190-I1193 PolarHBondContact O-N 2.61Å; I1190-I1193 VanDerWaalsContact O-N 3.09Å; I1193-I1196 PolarHBondContact O-N 3.25Å; I1193-M1197 PolarHBondContact O-N 3.48Å |
| 1194 | S | 87.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.8 | -35.1 | 180 | 67.2 | 0 | 0 | 0 | 0 | 112.3 | I1190 E1191 M1197 V1198 T1230 | I1190-S1194 PolarHBondContact O-N 3.38Å; I1190-S1194 PolarHBondContact O-OG 3.1Å; E1191-S1194 WeakPolarHBondContact CA-OG 3.32Å; E1191-S1194 PolarHBondContact O-OG 3.32Å; S1194-M1197 VanDerWaalsContact O-CB 3.31Å; S1194-M1197 WeakPolarHBondContact O-CB 3.5Å; S1194-M1197 PolarHBondContact O-N 2.97Å; S1194-M1197 VanDerWaalsContact O-N 3.14Å; S1194-V1198 WeakPolarHBondContact O-CG2 3.48Å; S1194-V1198 PolarHBondContact O-N 2.91Å; S1194-T1230 VanDerWaalsContact CB-OG1 3.23Å; S1194-T1230 WeakPolarHBondContact CB-OG1 3.36Å; S1194-T1230 WeakPolarHBondContact OG-CA 3.27Å; S1194-T1230 VanDerWaalsContact OG-CB 3.26Å; S1194-T1230 WeakPolarHBondContact OG-CB 3.48Å; S1194-T1230 WeakPolarHBondContact OG-CG2 3.22Å; S1194-T1230 PolarHBondContact OG-OG1 3.06Å |
| 1195 | T | 87.4 | Confident | 86.6 | Confident | 8 Ų | 8 | 22.2 Ų | 22.2 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.7 | -38.2 | 174.4 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | L363 I367 E1191 F1192 M1197 V1198 F1199 | L363-T1195 HydrophobicContact CD1-CG2 3.82Å; I367-T1195 HydrophobicContact CG1-CG2 4.32Å; E1191-T1195 WeakPolarHBondContact O-CB 3.44Å; E1191-T1195 PolarHBondContact O-N 2.59Å; E1191-T1195 PolarHBondContact O-OG1 3.14Å; F1192-T1195 PolarHBondContact O-N 3.18Å; T1195-M1197 VanDerWaalsContact C-N 3.28Å; T1195-M1197 PolarHBondContact O-N 3.34Å; T1195-V1198 PolarHBondContact O-N 3.29Å; T1195-F1199 WeakPolarHBondContact O-CB 3.42Å; T1195-F1199 PolarHBondContact O-N 2.87Å |
| 1196 | I | 89.6 | Confident | 86.8 | Confident | 48 Ų | 48 | 21.4 Ų | 21.4 | 25% | 0.246 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 170.4 | -71.4 | 168.4 | 0 | 0 | 0 | 110.5 | L1109 F1192 I1193 F1199 C1200 | L1109-I1196 HydrophobicContact CD2-CG2 4.37Å; F1192-I1196 HydrophobicContact CD1-CD1 3.76Å; F1192-I1196 HydrophobicContact CE1-CD1 3.38Å; F1192-I1196 HydrophobicContact CE1-CG1 4.39Å; F1192-I1196 HydrophobicContact CZ-CD1 3.86Å; F1192-I1196 WeakPolarHBondContact O-CG1 3.17Å; F1192-I1196 PolarHBondContact O-N 3.21Å; I1193-I1196 PolarHBondContact O-N 3.25Å; I1196-F1199 WeakPolarHBondContact O-CB 3.49Å; I1196-F1199 PolarHBondContact O-N 2.91Å; I1196-C1200 WeakPolarHBondContact O-CB 3.38Å; I1196-C1200 PolarHBondContact O-N 3.38Å; I1196-C1200 PolarHBondContact O-SG 3.11Å |
| 1197 | M | 87.9 | Confident | 87 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.039 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 178.4 | -171.9 | 175.7 | 149.3 | 0 | 0 | 112.1 | L1092 I1095 F1102 L1109 I1193 S1194 T1195 C1200 A1201 I1229 | L1092-M1197 HydrophobicContact CD2-CE 3.5Å; L1092-M1197 HydrophobicContact CD2-SD 4.25Å; I1095-M1197 HydrophobicContact CD1-CE 3.69Å; F1102-M1197 HydrophobicContact CE1-CE 3.73Å; F1102-M1197 HydrophobicContact CE1-CG 4.34Å; F1102-M1197 HydrophobicContact CE2-CG 4.44Å; F1102-M1197 HydrophobicContact CZ-CE 3.72Å; F1102-M1197 HydrophobicContact CZ-CG 3.54Å; F1102-M1197 HydrophobicContact CZ-SD 4.34Å; L1109-M1197 HydrophobicContact CD1-CB 3.99Å; L1109-M1197 HydrophobicContact CD1-CG 4.27Å; I1193-M1197 PolarHBondContact O-N 3.48Å; S1194-M1197 VanDerWaalsContact O-CB 3.31Å; S1194-M1197 WeakPolarHBondContact O-CB 3.5Å; S1194-M1197 PolarHBondContact O-N 2.97Å; S1194-M1197 VanDerWaalsContact O-N 3.14Å; T1195-M1197 VanDerWaalsContact C-N 3.28Å; T1195-M1197 PolarHBondContact O-N 3.34Å; M1197-C1200 PolarHBondContact O-N 2.99Å; M1197-A1201 PolarHBondContact O-N 3.2Å; M1197-I1229 HydrophobicContact CE-CD1 3.2Å; M1197-I1229 HydrophobicContact CE-CG1 4.44Å; M1197-I1229 HydrophobicContact CE-CG2 4.2Å; M1197-I1229 HydrophobicContact SD-CD1 3.56Å; M1197-I1229 VanDerWaalsContact SD-CD1 3.56Å; M1197-I1229 HydrophobicContact SD-CG2 4.06Å |
| 1198 | V | 88.8 | Confident | 87 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.036 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 173.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L362 S1194 T1195 C1200 A1201 A1202 A1226 L1227 | L362-V1198 HydrophobicContact CD2-CG1 3.5Å; L362-V1198 HydrophobicContact CG-CG1 4Å; S1194-V1198 WeakPolarHBondContact O-CG2 3.48Å; S1194-V1198 PolarHBondContact O-N 2.91Å; T1195-V1198 PolarHBondContact O-N 3.29Å; V1198-C1200 PolarHBondContact O-N 3.27Å; V1198-A1201 PolarHBondContact O-N 3.31Å; V1198-A1202 WeakPolarHBondContact O-CB 3.28Å; V1198-A1202 PolarHBondContact O-N 3.29Å; V1198-A1226 HydrophobicContact CG2-CB 4.03Å; V1198-A1226 VanDerWaalsContact CG2-O 3.23Å; V1198-A1226 WeakPolarHBondContact CG2-O 3.4Å; V1198-L1227 HydrophobicContact CG1-CD2 3.91Å; V1198-L1227 HydrophobicContact CG2-CD2 4.47Å |
| 1199 | F | 90.6 | Very high | 87 | Confident | 52 Ų | 52 | 26.8 Ų | 26.8 | 23% | 0.228 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 176.3 | 171.3 | -106 | 0 | 0 | 0 | 112.1 | S359 F360 L363 T1195 I1196 A1202 I1203 | S359-F1199 WeakPolarHBondContact O-CD2 3.13Å; F360-F1199 HydrophobicContact CD2-CE2 4.49Å; L363-F1199 HydrophobicContact CB-CB 4.13Å; L363-F1199 HydrophobicContact CB-CD2 3.85Å; L363-F1199 HydrophobicContact CB-CG 4.16Å; L363-F1199 HydrophobicContact CD1-CB 4.05Å; L363-F1199 HydrophobicContact CD1-CG 4.39Å; L363-F1199 HydrophobicContact CD2-CD1 4.32Å; L363-F1199 HydrophobicContact CD2-CD2 4.01Å; L363-F1199 HydrophobicContact CD2-CE2 4.29Å; L363-F1199 HydrophobicContact CD2-CG 4.03Å; L363-F1199 HydrophobicContact CG-CB 4.46Å; L363-F1199 HydrophobicContact CG-CD2 4.45Å; L363-F1199 HydrophobicContact CG-CG 4.42Å; T1195-F1199 WeakPolarHBondContact O-CB 3.42Å; T1195-F1199 PolarHBondContact O-N 2.87Å; I1196-F1199 WeakPolarHBondContact O-CB 3.49Å; I1196-F1199 PolarHBondContact O-N 2.91Å; F1199-A1202 PolarHBondContact O-N 3.4Å; F1199-I1203 WeakPolarHBondContact O-CB 3.18Å; F1199-I1203 WeakPolarHBondContact O-CG2 3.13Å; F1199-I1203 PolarHBondContact O-N 3.1Å |
| 1200 | C | 89.7 | Confident | 86.7 | Confident | 20 Ų | 20 | 30 Ų | 30 | 14% | 0.135 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -43 | 176.2 | -66.9 | 0 | 0 | 0 | 0 | 111.3 | F1102 V1105 I1196 M1197 V1198 I1203 F1204 | F1102-C1200 HydrophobicContact CE2-CB 4.02Å; V1105-C1200 HydrophobicContact CG1-CB 3.99Å; I1196-C1200 WeakPolarHBondContact O-CB 3.38Å; I1196-C1200 PolarHBondContact O-N 3.38Å; I1196-C1200 PolarHBondContact O-SG 3.11Å; M1197-C1200 PolarHBondContact O-N 2.99Å; V1198-C1200 PolarHBondContact O-N 3.27Å; C1200-I1203 WeakPolarHBondContact O-CG2 3.46Å; C1200-F1204 HydrophobicContact CB-CD2 4.39Å; C1200-F1204 HydrophobicContact CB-CE2 4.31Å; C1200-F1204 WeakPolarHBondContact O-CB 3.4Å; C1200-F1204 WeakPolarHBondContact O-CD2 3.22Å; C1200-F1204 WeakPolarHBondContact O-CG 3.48Å; C1200-F1204 PolarHBondContact O-N 2.86Å |
| 1201 | A | 88.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1099 F1102 M1197 V1198 A1205 A1226 | M1099-A1201 WeakPolarHBondContact CE-O 3.34Å; F1102-A1201 HydrophobicContact CE2-CB 3.91Å; F1102-A1201 HydrophobicContact CZ-CB 4.42Å; M1197-A1201 PolarHBondContact O-N 3.2Å; V1198-A1201 PolarHBondContact O-N 3.31Å; A1201-A1205 WeakPolarHBondContact O-CB 3.28Å; A1201-A1205 PolarHBondContact O-N 2.83Å; A1201-A1226 HydrophobicContact CB-CB 4.12Å |
| 1202 | A | 88.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.1 | -45.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L341 L362 V1198 F1199 A1205 V1206 I1223 | L341-A1202 HydrophobicContact CD1-CB 4.27Å; L362-A1202 HydrophobicContact CD2-CB 4.45Å; V1198-A1202 WeakPolarHBondContact O-CB 3.28Å; V1198-A1202 PolarHBondContact O-N 3.29Å; F1199-A1202 PolarHBondContact O-N 3.4Å; A1202-A1205 WeakPolarHBondContact O-CB 3.45Å; A1202-A1205 PolarHBondContact O-N 3.35Å; A1202-V1206 WeakPolarHBondContact O-CG2 3.34Å; A1202-V1206 PolarHBondContact O-N 3.42Å; A1202-I1223 HydrophobicContact CB-CD1 4.36Å |
| 1203 | I | 89 | Confident | 85 | Confident | 34 Ų | 34 | 37.2 Ų | 37.2 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | -179.2 | -160.1 | 67.4 | 0 | 0 | 0 | 111.7 | I356 F1199 C1200 A1205 V1206 C1207 | I356-I1203 HydrophobicContact CB-CD1 4.48Å; I356-I1203 HydrophobicContact CG1-CD1 4.03Å; I356-I1203 HydrophobicContact CG2-CD1 4.38Å; F1199-I1203 WeakPolarHBondContact O-CB 3.18Å; F1199-I1203 WeakPolarHBondContact O-CG2 3.13Å; F1199-I1203 PolarHBondContact O-N 3.1Å; C1200-I1203 WeakPolarHBondContact O-CG2 3.46Å; I1203-A1205 VanDerWaalsContact C-N 3.35Å; I1203-V1206 PolarHBondContact O-N 3.29Å; I1203-C1207 WeakPolarHBondContact O-CB 3.29Å; I1203-C1207 PolarHBondContact O-N 3.4Å; I1203-C1207 PolarHBondContact O-SG 3.17Å |
| 1204 | F | 87.5 | Confident | 84.4 | Confident | 56 Ų | 56 | 37.4 Ų | 37.4 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.4 | -35.4 | 174.8 | -76.5 | -56.7 | 0 | 0 | 0 | 112.2 | M1099 V1101 F1102 V1105 C1200 N1208 | M1099-F1204 HydrophobicContact SD-CB 3.98Å; V1101-F1204 HydrophobicContact CG1-CE1 4.3Å; V1101-F1204 HydrophobicContact CG1-CZ 4.49Å; F1102-F1204 HydrophobicContact CD2-CD2 4.12Å; V1105-F1204 HydrophobicContact CG2-CE2 3.66Å; V1105-F1204 HydrophobicContact CG2-CZ 4.12Å; C1200-F1204 HydrophobicContact CB-CD2 4.39Å; C1200-F1204 HydrophobicContact CB-CE2 4.31Å; C1200-F1204 WeakPolarHBondContact O-CB 3.4Å; C1200-F1204 WeakPolarHBondContact O-CD2 3.22Å; C1200-F1204 WeakPolarHBondContact O-CG 3.48Å; C1200-F1204 PolarHBondContact O-N 2.86Å; F1204-N1208 VanDerWaalsContact O-CB 3.31Å; F1204-N1208 WeakPolarHBondContact O-CB 3.22Å; F1204-N1208 PolarHBondContact O-N 3.37Å; F1204-N1208 VanDerWaalsContact O-N 3.07Å; F1204-N1208 PolarHBondContact O-ND2 3.42Å |
| 1205 | A | 86.4 | Confident | 84.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1099 A1201 A1202 I1203 N1208 R1209 V1219 | M1099-A1205 HydrophobicContact CE-CB 3.66Å; A1201-A1205 WeakPolarHBondContact O-CB 3.28Å; A1201-A1205 PolarHBondContact O-N 2.83Å; A1202-A1205 WeakPolarHBondContact O-CB 3.45Å; A1202-A1205 PolarHBondContact O-N 3.35Å; I1203-A1205 VanDerWaalsContact C-N 3.35Å; A1205-N1208 PolarHBondContact O-N 2.93Å; A1205-R1209 PolarHBondContact O-N 3.31Å; A1205-V1219 HydrophobicContact CB-CB 4.38Å; A1205-V1219 HydrophobicContact CB-CG1 3.68Å; A1205-V1219 HydrophobicContact CB-CG2 3.86Å |
| 1206 | V | 87.1 | Confident | 84 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | -179.8 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | L341 Y344 L352 I356 A1202 I1203 N1208 R1209 | L341-V1206 HydrophobicContact CD2-CG2 3.95Å; Y344-V1206 HydrophobicContact CD1-CG2 4.19Å; Y344-V1206 HydrophobicContact CE1-CB 4.19Å; Y344-V1206 HydrophobicContact CE1-CG1 3.78Å; Y344-V1206 HydrophobicContact CE1-CG2 4.03Å; L352-V1206 HydrophobicContact CD1-CG1 3.74Å; I356-V1206 HydrophobicContact CG1-CG1 4.24Å; A1202-V1206 WeakPolarHBondContact O-CG2 3.34Å; A1202-V1206 PolarHBondContact O-N 3.42Å; I1203-V1206 PolarHBondContact O-N 3.29Å; V1206-N1208 VanDerWaalsContact C-N 3.31Å; V1206-N1208 PolarHBondContact O-N 3.01Å; V1206-R1209 WeakPolarHBondContact O-CB 3.33Å; V1206-R1209 PolarHBondContact O-N 3.3Å |
| 1207 | C | 85.4 | Confident | 83.8 | Confident | 72 Ų | 72 | 36.8 Ų | 36.8 | 49% | 0.486 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.5 | -27.6 | -180 | -69.4 | 0 | 0 | 0 | 0 | 113.4 | I1203 | I1203-C1207 WeakPolarHBondContact O-CB 3.29Å; I1203-C1207 PolarHBondContact O-N 3.4Å; I1203-C1207 PolarHBondContact O-SG 3.17Å |
| 1208 | N | 83.4 | Confident | 83.8 | Confident | 44 Ų | 44 | 38.6 Ų | 38.6 | 24% | 0.235 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 12.4 | 178.7 | -69.6 | -57.1 | 0 | 0 | 0 | 113.4 | F1204 A1205 V1206 D1210 T1211 | F1204-N1208 VanDerWaalsContact O-CB 3.31Å; F1204-N1208 WeakPolarHBondContact O-CB 3.22Å; F1204-N1208 PolarHBondContact O-N 3.37Å; F1204-N1208 VanDerWaalsContact O-N 3.07Å; F1204-N1208 PolarHBondContact O-ND2 3.42Å; A1205-N1208 PolarHBondContact O-N 2.93Å; V1206-N1208 VanDerWaalsContact C-N 3.31Å; V1206-N1208 PolarHBondContact O-N 3.01Å; N1208-D1210 PolarHBondContact O-N 2.99Å; N1208-T1211 PolarHBondContact O-OG1 3.24Å |
| 1209 | R | 82.8 | Confident | 83.7 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -45 | 177.1 | 178.3 | 175.6 | 174.9 | -133 | 19 | 112.5 | Y344 M345 I347 K348 L350 A1205 V1206 T1211 G1212 | Y344-R1209 HydrophobicContact CE1-CB 4.46Å; Y344-R1209 VanDerWaalsContact CE2-NH1 3.25Å; Y344-R1209 VanDerWaalsContact CZ-CD 3.41Å; Y344-R1209 PolarHBondContact O-NE 3.22Å; Y344-R1209 PolarHBondContact O-NH2 3.49Å; Y344-R1209 PolarHBondContact OH-NH1 3.18Å; M345-R1209 HydrophobicContact CE-CB 3.8Å; M345-R1209 HydrophobicContact CE-CG 3.79Å; M345-R1209 HydrophobicContact SD-CB 3.89Å; M345-R1209 HydrophobicContact SD-CG 3.92Å; I347-R1209 VanDerWaalsContact C-NH2 3.25Å; I347-R1209 PolarHBondContact O-NH2 2.84Å; K348-R1209 PolarHBondContact O-NH2 3.43Å; L350-R1209 PolarHBondContact O-NH1 3.36Å; A1205-R1209 PolarHBondContact O-N 3.31Å; V1206-R1209 WeakPolarHBondContact O-CB 3.33Å; V1206-R1209 PolarHBondContact O-N 3.3Å; R1209-T1211 VanDerWaalsContact C-N 3.31Å; R1209-T1211 PolarHBondContact O-N 3.21Å; R1209-G1212 PolarHBondContact O-N 3.42Å |
| 1210 | D | 77 | Confident | 83.6 | Confident | 137 Ų | 137 | 35.9 Ų | 35.9 | 73% | 0.733 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -18.3 | -173.9 | -62 | -26 | 0 | 0 | 0 | 113.3 | N1208 G1212 | N1208-D1210 PolarHBondContact O-N 2.99Å; D1210-G1212 PolarHBondContact O-N 3.07Å |
| 1211 | T | 77.9 | Confident | 83.5 | Confident | 75 Ų | 75 | 35 Ų | 35 | 46% | 0.46 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13.3 | 177.4 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | N1208 R1209 I1213 | N1208-T1211 PolarHBondContact O-OG1 3.24Å; R1209-T1211 VanDerWaalsContact C-N 3.31Å; R1209-T1211 PolarHBondContact O-N 3.21Å; T1211-I1213 HydrophobicContact CG2-CD1 4.41Å; T1211-I1213 PolarHBondContact O-N 3.36Å; T1211-I1213 VanDerWaalsContact O-N 3.12Å; T1211-I1213 WeakPolarHBondContact OG1-CD1 3.47Å; T1211-I1213 WeakPolarHBondContact OG1-CG1 3.43Å |
| 1212 | G | 69.9 | Low | 83.6 | Confident | 65 Ų | 65 | 35 Ų | 35 | 67% | 0.67 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 6.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1209 D1210 M1214 | R1209-G1212 PolarHBondContact O-N 3.42Å; D1210-G1212 PolarHBondContact O-N 3.07Å; G1212-M1214 VanDerWaalsContact C-N 3.28Å; G1212-M1214 PolarHBondContact O-N 3Å |
| 1213 | I | 71.7 | Confident | 83.5 | Confident | 117 Ų | 117 | 35.1 Ų | 35.1 | 60% | 0.6 | 21% | 0.208 | S | C | * | . | trans | -69.9 | -30.8 | -178.7 | -61.4 | 169.7 | 0 | 0 | 0 | 110.5 | T1211 | T1211-I1213 HydrophobicContact CG2-CD1 4.41Å; T1211-I1213 PolarHBondContact O-N 3.36Å; T1211-I1213 VanDerWaalsContact O-N 3.12Å; T1211-I1213 WeakPolarHBondContact OG1-CD1 3.47Å; T1211-I1213 WeakPolarHBondContact OG1-CG1 3.43Å | ||
| 1214 | M | 75.7 | Confident | 83.5 | Confident | 12 Ų | 12 | 33.6 Ų | 33.6 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -115.7 | 121.7 | -175.4 | -58.6 | -159.3 | 72.1 | 0 | 0 | 111.6 | N1098 M1099 G1212 M1218 V1219 | N1098-M1214 HydrophobicContact CB-CE 3.9Å; M1099-M1214 HydrophobicContact CE-CE 3.48Å; M1099-M1214 VanDerWaalsContact CE-CE 3.48Å; M1099-M1214 HydrophobicContact CE-SD 3.68Å; M1099-M1214 HydrophobicContact CG-CE 3.77Å; M1099-M1214 HydrophobicContact CG-SD 3.62Å; M1099-M1214 HydrophobicContact SD-SD 4.33Å; G1212-M1214 VanDerWaalsContact C-N 3.28Å; G1212-M1214 PolarHBondContact O-N 3Å; M1214-M1218 HydrophobicContact CE-CB 4.3Å; M1214-V1219 HydrophobicContact CB-CG2 3.96Å; M1214-V1219 HydrophobicContact CE-CG2 3.95Å; M1214-V1219 HydrophobicContact SD-CG2 4.28Å |
| 1215 | S | 82.6 | Confident | 83.5 | Confident | 31 Ų | 31 | 32.9 Ų | 32.9 | 22% | 0.217 | 20% | 0.196 | C | C | . | . | trans | -77.3 | 160.9 | 167.6 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | E985 G1217 M1218 V1219 | E985-S1215 WeakPolarHBondContact OE1-CB 3.43Å; E985-S1215 PolarHBondContact OE1-OG 3.03Å; E985-S1215 WeakPolarHBondContact OE2-CB 3.48Å; E985-S1215 PolarHBondContact OE2-OG 3.35Å; S1215-G1217 PolarHBondContact O-N 2.67Å; S1215-M1218 PolarHBondContact O-N 3.44Å; S1215-M1218 VanDerWaalsContact OG-CG 3.26Å; S1215-M1218 WeakPolarHBondContact OG-CG 3.37Å; S1215-M1218 PolarHBondContact OG-N 3.33Å; S1215-V1219 PolarHBondContact O-N 3.4Å; S1215-V1219 VanDerWaalsContact O-N 3.1Å | ||
| 1216 | A | 84.8 | Confident | 83.6 | Confident | 11 Ų | 11 | 32.9 Ų | 32.9 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -36.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M345 E346 P584 V1219 G1220 | M345-A1216 HydrophobicContact CB-CB 4.01Å; E346-A1216 HydrophobicContact CG-CB 3.75Å; P584-A1216 HydrophobicContact CB-CB 4.19Å; P584-A1216 HydrophobicContact CG-CB 4.11Å; A1216-V1219 PolarHBondContact O-N 3.38Å; A1216-G1220 PolarHBondContact O-N 3.24Å |
| 1217 | G | 85.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | F588 E985 S1215 V1219 G1220 L1221 | F588-G1217 WeakPolarHBondContact CE2-O 3.47Å; F588-G1217 WeakPolarHBondContact CZ-O 3.41Å; E985-G1217 WeakPolarHBondContact OE1-CA 3.47Å; E985-G1217 PolarHBondContact OE1-N 3.43Å; S1215-G1217 PolarHBondContact O-N 2.67Å; G1217-V1219 VanDerWaalsContact C-N 3.34Å; G1217-V1219 PolarHBondContact O-N 2.97Å; G1217-G1220 PolarHBondContact O-N 2.97Å; G1217-L1221 WeakPolarHBondContact O-CB 3.4Å; G1217-L1221 PolarHBondContact O-N 3.12Å |
| 1218 | M | 87 | Confident | 83.5 | Confident | 46 Ų | 46 | 32 Ų | 32 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.1 | -34.1 | 177.2 | -68.6 | -179 | -155.9 | 0 | 0 | 113 | M1214 S1215 S1222 | M1214-M1218 HydrophobicContact CE-CB 4.3Å; S1215-M1218 PolarHBondContact O-N 3.44Å; S1215-M1218 VanDerWaalsContact OG-CG 3.26Å; S1215-M1218 WeakPolarHBondContact OG-CG 3.37Å; S1215-M1218 PolarHBondContact OG-N 3.33Å; M1218-S1222 WeakPolarHBondContact O-CB 3.37Å; M1218-S1222 PolarHBondContact O-N 3.08Å; M1218-S1222 PolarHBondContact O-OG 3.44Å |
| 1219 | V | 86.9 | Confident | 83.6 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.4 | -48.1 | 173.6 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | M345 A1205 M1214 S1215 A1216 G1217 L1221 S1222 I1223 | M345-V1219 HydrophobicContact CE-CG2 3.81Å; M345-V1219 HydrophobicContact CG-CB 4.16Å; M345-V1219 HydrophobicContact CG-CG1 3.99Å; M345-V1219 HydrophobicContact CG-CG2 4.1Å; M345-V1219 HydrophobicContact SD-CG2 4.24Å; A1205-V1219 HydrophobicContact CB-CB 4.38Å; A1205-V1219 HydrophobicContact CB-CG1 3.68Å; A1205-V1219 HydrophobicContact CB-CG2 3.86Å; M1214-V1219 HydrophobicContact CB-CG2 3.96Å; M1214-V1219 HydrophobicContact CE-CG2 3.95Å; M1214-V1219 HydrophobicContact SD-CG2 4.28Å; S1215-V1219 PolarHBondContact O-N 3.4Å; S1215-V1219 VanDerWaalsContact O-N 3.1Å; A1216-V1219 PolarHBondContact O-N 3.38Å; G1217-V1219 VanDerWaalsContact C-N 3.34Å; G1217-V1219 PolarHBondContact O-N 2.97Å; V1219-L1221 VanDerWaalsContact C-N 3.27Å; V1219-L1221 PolarHBondContact O-N 3.45Å; V1219-S1222 PolarHBondContact O-N 3.49Å; V1219-I1223 HydrophobicContact CG1-CD1 3.66Å; V1219-I1223 HydrophobicContact CG1-CG1 4.34Å; V1219-I1223 WeakPolarHBondContact O-CG1 3.44Å; V1219-I1223 PolarHBondContact O-N 2.96Å |
| 1220 | G | 87.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.7 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F588 A1216 G1217 T1224 | F588-G1220 VanDerWaalsContact CG-C 3.49Å; A1216-G1220 PolarHBondContact O-N 3.24Å; G1217-G1220 PolarHBondContact O-N 2.97Å; G1220-T1224 VanDerWaalsContact O-CB 3.24Å; G1220-T1224 WeakPolarHBondContact O-CB 3.29Å; G1220-T1224 PolarHBondContact O-N 3.1Å; G1220-T1224 PolarHBondContact O-OG1 3.45Å |
| 1221 | L | 89 | Confident | 83.7 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -53.7 | 174.3 | 177.8 | 65.3 | 0 | 0 | 0 | 112.1 | F588 A981 I1094 G1217 V1219 I1223 T1224 Y1225 | F588-L1221 HydrophobicContact CD1-CB 4.48Å; F588-L1221 HydrophobicContact CE1-CB 3.63Å; F588-L1221 HydrophobicContact CE1-CD1 3.91Å; F588-L1221 HydrophobicContact CE1-CG 4.4Å; F588-L1221 HydrophobicContact CZ-CB 3.68Å; F588-L1221 HydrophobicContact CZ-CD1 4.45Å; A981-L1221 HydrophobicContact CB-CB 4.3Å; A981-L1221 HydrophobicContact CB-CD2 4.08Å; I1094-L1221 HydrophobicContact CG2-CD1 4.42Å; I1094-L1221 HydrophobicContact CG2-CD2 3.97Å; I1094-L1221 HydrophobicContact CG2-CG 3.91Å; G1217-L1221 WeakPolarHBondContact O-CB 3.4Å; G1217-L1221 PolarHBondContact O-N 3.12Å; V1219-L1221 VanDerWaalsContact C-N 3.27Å; V1219-L1221 PolarHBondContact O-N 3.45Å; L1221-I1223 PolarHBondContact O-N 3.42Å; L1221-T1224 PolarHBondContact O-N 2.98Å; L1221-Y1225 HydrophobicContact CD1-CD2 3.44Å; L1221-Y1225 VanDerWaalsContact CD1-CD2 3.44Å; L1221-Y1225 HydrophobicContact CD1-CE2 3.37Å; L1221-Y1225 HydrophobicContact CG-CD2 4.22Å; L1221-Y1225 WeakPolarHBondContact O-CD2 3.42Å; L1221-Y1225 PolarHBondContact O-N 3.3Å |
| 1222 | S | 88.8 | Confident | 84 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | -174.1 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | N1098 M1218 V1219 A1226 | N1098-S1222 WeakPolarHBondContact CB-OG 3.35Å; N1098-S1222 PolarHBondContact ND2-OG 3.48Å; M1218-S1222 WeakPolarHBondContact O-CB 3.37Å; M1218-S1222 PolarHBondContact O-N 3.08Å; M1218-S1222 PolarHBondContact O-OG 3.44Å; V1219-S1222 PolarHBondContact O-N 3.49Å; S1222-A1226 VanDerWaalsContact O-CB 3.32Å; S1222-A1226 WeakPolarHBondContact O-CB 3.07Å; S1222-A1226 PolarHBondContact O-N 3.46Å |
| 1223 | I | 88.1 | Confident | 84.6 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -72.1 | -40.6 | 179.4 | -58 | 171.3 | 0 | 0 | 0 | 110.7 | L338 L341 L362 A1202 V1219 L1221 Y1225 A1226 L1227 | L338-I1223 HydrophobicContact CD1-CB 3.69Å; L338-I1223 HydrophobicContact CD1-CD1 4.1Å; L338-I1223 HydrophobicContact CD1-CG1 4.5Å; L338-I1223 HydrophobicContact CD1-CG2 3.63Å; L341-I1223 HydrophobicContact CB-CD1 4.4Å; L341-I1223 HydrophobicContact CD1-CD1 4.07Å; L362-I1223 HydrophobicContact CD2-CG2 4.24Å; A1202-I1223 HydrophobicContact CB-CD1 4.36Å; V1219-I1223 HydrophobicContact CG1-CD1 3.66Å; V1219-I1223 HydrophobicContact CG1-CG1 4.34Å; V1219-I1223 WeakPolarHBondContact O-CG1 3.44Å; V1219-I1223 PolarHBondContact O-N 2.96Å; L1221-I1223 PolarHBondContact O-N 3.42Å; I1223-Y1225 VanDerWaalsContact C-N 3.33Å; I1223-Y1225 PolarHBondContact O-N 3.49Å; I1223-A1226 WeakPolarHBondContact O-CB 3.3Å; I1223-A1226 PolarHBondContact O-N 3.37Å; I1223-L1227 HydrophobicContact CG2-CG 4.49Å; I1223-L1227 WeakPolarHBondContact O-CG 3.37Å; I1223-L1227 PolarHBondContact O-N 3.2Å |
| 1224 | T | 89 | Confident | 85 | Confident | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.018 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | L591 S592 G1220 L1221 L1227 | L591-T1224 HydrophobicContact CD2-CG2 4.17Å; L591-T1224 HydrophobicContact CG-CG2 4.37Å; S592-T1224 WeakPolarHBondContact OG-CG2 3.37Å; S592-T1224 PolarHBondContact OG-OG1 2.92Å; G1220-T1224 VanDerWaalsContact O-CB 3.24Å; G1220-T1224 WeakPolarHBondContact O-CB 3.29Å; G1220-T1224 PolarHBondContact O-N 3.1Å; G1220-T1224 PolarHBondContact O-OG1 3.45Å; L1221-T1224 PolarHBondContact O-N 2.98Å; T1224-L1227 PolarHBondContact O-N 3.43Å |
| 1225 | Y | 88.2 | Confident | 85.3 | Confident | 41 Ų | 41 | 23.8 Ų | 23.8 | 16% | 0.161 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.1 | -38.6 | 176.3 | -90.1 | -82.5 | 0 | 0 | 0 | 112.5 | S977 T1091 I1094 L1221 I1223 L1227 T1228 I1229 | S977-Y1225 PolarHBondContact OG-OH 2.85Å; T1091-Y1225 WeakPolarHBondContact CG2-O 3.3Å; I1094-Y1225 HydrophobicContact CD1-CD1 3.92Å; I1094-Y1225 HydrophobicContact CD1-CD2 4.1Å; I1094-Y1225 HydrophobicContact CD1-CE1 3.75Å; I1094-Y1225 HydrophobicContact CD1-CE2 3.94Å; I1094-Y1225 HydrophobicContact CD1-CG 4.09Å; I1094-Y1225 HydrophobicContact CG2-CD2 4.31Å; I1094-Y1225 HydrophobicContact CG2-CG 4.45Å; L1221-Y1225 HydrophobicContact CD1-CD2 3.44Å; L1221-Y1225 VanDerWaalsContact CD1-CD2 3.44Å; L1221-Y1225 HydrophobicContact CD1-CE2 3.37Å; L1221-Y1225 HydrophobicContact CG-CD2 4.22Å; L1221-Y1225 WeakPolarHBondContact O-CD2 3.42Å; L1221-Y1225 PolarHBondContact O-N 3.3Å; I1223-Y1225 VanDerWaalsContact C-N 3.33Å; I1223-Y1225 PolarHBondContact O-N 3.49Å; Y1225-L1227 VanDerWaalsContact C-N 3.29Å; Y1225-L1227 PolarHBondContact O-N 3Å; Y1225-T1228 PolarHBondContact O-N 3.07Å; Y1225-T1228 PolarHBondContact O-OG1 3.33Å; Y1225-I1229 PolarHBondContact O-N 3.35Å |
| 1226 | A | 88.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.5 | -38.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1095 V1198 A1201 S1222 I1223 T1228 I1229 | I1095-A1226 HydrophobicContact CD1-CB 4Å; V1198-A1226 HydrophobicContact CG2-CB 4.03Å; V1198-A1226 VanDerWaalsContact CG2-O 3.23Å; V1198-A1226 WeakPolarHBondContact CG2-O 3.4Å; A1201-A1226 HydrophobicContact CB-CB 4.12Å; S1222-A1226 VanDerWaalsContact O-CB 3.32Å; S1222-A1226 WeakPolarHBondContact O-CB 3.07Å; S1222-A1226 PolarHBondContact O-N 3.46Å; I1223-A1226 WeakPolarHBondContact O-CB 3.3Å; I1223-A1226 PolarHBondContact O-N 3.37Å; A1226-T1228 VanDerWaalsContact C-N 3.28Å; A1226-T1228 PolarHBondContact O-N 3.47Å; A1226-I1229 WeakPolarHBondContact O-CG2 3.48Å; A1226-I1229 PolarHBondContact O-N 3.35Å; A1226-I1229 VanDerWaalsContact O-N 3.16Å |
| 1227 | L | 85.2 | Confident | 85.1 | Confident | 34 Ų | 34 | 23 Ų | 23 | 18% | 0.178 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.7 | -36.1 | 177.3 | -70.6 | 171.9 | 0 | 0 | 0 | 112.5 | K334 L362 V1198 I1223 T1224 Y1225 I1229 | K334-L1227 HydrophobicContact CB-CD2 4.3Å; K334-L1227 HydrophobicContact CD-CD2 4.22Å; L362-L1227 HydrophobicContact CD1-CD2 4.25Å; V1198-L1227 HydrophobicContact CG1-CD2 3.91Å; V1198-L1227 HydrophobicContact CG2-CD2 4.47Å; I1223-L1227 HydrophobicContact CG2-CG 4.49Å; I1223-L1227 WeakPolarHBondContact O-CG 3.37Å; I1223-L1227 PolarHBondContact O-N 3.2Å; T1224-L1227 PolarHBondContact O-N 3.43Å; Y1225-L1227 VanDerWaalsContact C-N 3.29Å; Y1225-L1227 PolarHBondContact O-N 3Å; L1227-I1229 VanDerWaalsContact C-N 3.32Å; L1227-I1229 PolarHBondContact O-N 3.5Å |
| 1228 | T | 84.6 | Confident | 84.6 | Confident | 26 Ų | 26 | 27 Ų | 27 | 16% | 0.16 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -72 | -22 | 178.5 | 70.4 | 0 | 0 | 0 | 0 | 113.8 | Y1225 A1226 T1230 Q1231 A1232 | Y1225-T1228 PolarHBondContact O-N 3.07Å; Y1225-T1228 PolarHBondContact O-OG1 3.33Å; A1226-T1228 VanDerWaalsContact C-N 3.28Å; A1226-T1228 PolarHBondContact O-N 3.47Å; T1228-T1230 PolarHBondContact O-N 3.1Å; T1228-Q1231 PolarHBondContact O-N 3.01Å; T1228-A1232 PolarHBondContact O-N 2.92Å |
| 1229 | I | 85.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.8 | -29.1 | -173.4 | -148.7 | 175.5 | 0 | 0 | 0 | 113 | T1091 L1092 M1197 Y1225 A1226 L1227 Q1231 A1232 L1233 | T1091-I1229 HydrophobicContact CG2-CB 4.07Å; T1091-I1229 HydrophobicContact CG2-CD1 3.98Å; T1091-I1229 HydrophobicContact CG2-CG1 4.09Å; L1092-I1229 HydrophobicContact CD2-CD1 4.08Å; L1092-I1229 HydrophobicContact CG-CD1 4.22Å; M1197-I1229 HydrophobicContact CE-CD1 3.2Å; M1197-I1229 HydrophobicContact CE-CG1 4.44Å; M1197-I1229 HydrophobicContact CE-CG2 4.2Å; M1197-I1229 HydrophobicContact SD-CD1 3.56Å; M1197-I1229 VanDerWaalsContact SD-CD1 3.56Å; M1197-I1229 HydrophobicContact SD-CG2 4.06Å; Y1225-I1229 PolarHBondContact O-N 3.35Å; A1226-I1229 WeakPolarHBondContact O-CG2 3.48Å; A1226-I1229 PolarHBondContact O-N 3.35Å; A1226-I1229 VanDerWaalsContact O-N 3.16Å; L1227-I1229 VanDerWaalsContact C-N 3.32Å; L1227-I1229 PolarHBondContact O-N 3.5Å; I1229-Q1231 VanDerWaalsContact C-N 3.3Å; I1229-Q1231 PolarHBondContact O-N 2.85Å; I1229-A1232 PolarHBondContact O-N 3.23Å; I1229-L1233 HydrophobicContact CD1-CD1 4.37Å; I1229-L1233 HydrophobicContact CG1-CD1 4.15Å; I1229-L1233 HydrophobicContact CG1-CG 4.16Å; I1229-L1233 WeakPolarHBondContact O-CB 3.48Å; I1229-L1233 WeakPolarHBondContact O-CG 3.31Å; I1229-L1233 PolarHBondContact O-N 3.46Å |
| 1230 | T | 81.5 | Confident | 84.2 | Confident | 16 Ų | 16 | 26.9 Ų | 26.9 | 10% | 0.098 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.9 | -45.7 | 177.6 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | E1191 S1194 T1228 N1234 | E1191-T1230 HydrophobicContact CB-CG2 4.37Å; E1191-T1230 HydrophobicContact CG-CG2 3.95Å; S1194-T1230 VanDerWaalsContact CB-OG1 3.23Å; S1194-T1230 WeakPolarHBondContact CB-OG1 3.36Å; S1194-T1230 WeakPolarHBondContact OG-CA 3.27Å; S1194-T1230 VanDerWaalsContact OG-CB 3.26Å; S1194-T1230 WeakPolarHBondContact OG-CB 3.48Å; S1194-T1230 WeakPolarHBondContact OG-CG2 3.22Å; S1194-T1230 PolarHBondContact OG-OG1 3.06Å; T1228-T1230 PolarHBondContact O-N 3.1Å; T1230-N1234 PolarHBondContact O-N 2.78Å; T1230-N1234 PolarHBondContact O-ND2 3.49Å |
| 1231 | Q | 79.6 | Confident | 83.6 | Confident | 93 Ų | 93 | 27.7 Ų | 27.7 | 44% | 0.435 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -71.5 | -47.5 | 177.6 | -62.5 | -179.3 | 6 | 0 | 0 | 110.1 | T1228 I1229 L1233 N1234 W1235 | T1228-Q1231 PolarHBondContact O-N 3.01Å; I1229-Q1231 VanDerWaalsContact C-N 3.3Å; I1229-Q1231 PolarHBondContact O-N 2.85Å; Q1231-L1233 VanDerWaalsContact C-N 3.34Å; Q1231-L1233 PolarHBondContact O-N 3.3Å; Q1231-N1234 WeakPolarHBondContact O-CB 3.31Å; Q1231-N1234 PolarHBondContact O-N 2.98Å; Q1231-N1234 VanDerWaalsContact O-N 3.15Å; Q1231-W1235 PolarHBondContact O-N 3.46Å |
| 1232 | A | 84.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.9 | -43.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q1087 V1088 T1228 I1229 W1235 V1236 | Q1087-A1232 HydrophobicContact CG-CB 4.42Å; V1088-A1232 HydrophobicContact CG2-CB 3.7Å; T1228-A1232 PolarHBondContact O-N 2.92Å; I1229-A1232 PolarHBondContact O-N 3.23Å; A1232-W1235 PolarHBondContact O-N 2.95Å; A1232-V1236 WeakPolarHBondContact O-CG2 3.39Å; A1232-V1236 PolarHBondContact O-N 3.02Å |
| 1233 | L | 83.8 | Confident | 83.1 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 12% | 0.115 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 178 | -73.1 | 170.9 | 0 | 0 | 0 | 113.1 | V1088 Y1113 I1190 I1229 Q1231 W1235 V1236 M1237 | V1088-L1233 HydrophobicContact CG1-CD2 4.24Å; V1088-L1233 HydrophobicContact CG2-CD2 4.3Å; Y1113-L1233 HydrophobicContact CE2-CD2 4.15Å; I1190-L1233 HydrophobicContact CG2-CB 3.8Å; I1229-L1233 HydrophobicContact CD1-CD1 4.37Å; I1229-L1233 HydrophobicContact CG1-CD1 4.15Å; I1229-L1233 HydrophobicContact CG1-CG 4.16Å; I1229-L1233 WeakPolarHBondContact O-CB 3.48Å; I1229-L1233 WeakPolarHBondContact O-CG 3.31Å; I1229-L1233 PolarHBondContact O-N 3.46Å; Q1231-L1233 VanDerWaalsContact C-N 3.34Å; Q1231-L1233 PolarHBondContact O-N 3.3Å; L1233-W1235 VanDerWaalsContact C-N 3.33Å; L1233-V1236 PolarHBondContact O-N 2.87Å; L1233-M1237 PolarHBondContact O-N 2.98Å; L1233-M1237 VanDerWaalsContact O-N 3.14Å |
| 1234 | N | 78.4 | Confident | 82.7 | Confident | 32 Ų | 32 | 33.2 Ų | 33.2 | 17% | 0.171 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 173.4 | -83.9 | -28.8 | 0 | 0 | 0 | 110.9 | I1190 E1191 T1230 Q1231 M1237 E1238 | I1190-N1234 WeakPolarHBondContact CB-OD1 3.35Å; I1190-N1234 VanDerWaalsContact CG2-OD1 3.3Å; I1190-N1234 WeakPolarHBondContact CG2-OD1 3.42Å; E1191-N1234 VanDerWaalsContact CG-ND2 3.31Å; E1191-N1234 WeakPolarHBondContact CG-ND2 3.44Å; E1191-N1234 PolarHBondContact OE1-ND2 2.9Å; T1230-N1234 PolarHBondContact O-N 2.78Å; T1230-N1234 PolarHBondContact O-ND2 3.49Å; Q1231-N1234 WeakPolarHBondContact O-CB 3.31Å; Q1231-N1234 PolarHBondContact O-N 2.98Å; Q1231-N1234 VanDerWaalsContact O-N 3.15Å; N1234-M1237 PolarHBondContact O-N 3.29Å; N1234-E1238 PolarHBondContact O-N 2.89Å |
| 1235 | W | 82.2 | Confident | 82.1 | Confident | 138 Ų | 138 | 35.1 Ų | 35.1 | 52% | 0.523 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.8 | -41.8 | 177.5 | -81.1 | 98.8 | 0 | 0 | 0 | 112.9 | T1084 Q1231 A1232 L1233 M1237 E1238 I1239 | T1084-W1235 HydrophobicContact CG2-CB 3.91Å; Q1231-W1235 PolarHBondContact O-N 3.46Å; A1232-W1235 PolarHBondContact O-N 2.95Å; L1233-W1235 VanDerWaalsContact C-N 3.33Å; W1235-M1237 VanDerWaalsContact C-N 3.26Å; W1235-M1237 PolarHBondContact O-N 2.88Å; W1235-E1238 PolarHBondContact O-N 3.36Å; W1235-I1239 HydrophobicContact CE3-CD1 3.99Å; W1235-I1239 HydrophobicContact CE3-CG1 4.28Å; W1235-I1239 WeakPolarHBondContact O-CB 3.24Å; W1235-I1239 VanDerWaalsContact O-CG1 3.25Å; W1235-I1239 WeakPolarHBondContact O-CG1 3.41Å; W1235-I1239 PolarHBondContact O-N 3.29Å |
| 1236 | V | 84.9 | Confident | 81.9 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 11% | 0.109 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -44 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 110.3 | L1081 V1085 V1088 Y1113 A1232 L1233 T1240 | L1081-V1236 HydrophobicContact CD1-CG1 4.47Å; V1085-V1236 HydrophobicContact CG2-CG2 4.42Å; V1088-V1236 HydrophobicContact CG2-CG2 4.05Å; Y1113-V1236 WeakPolarHBondContact OH-CG1 3.39Å; A1232-V1236 WeakPolarHBondContact O-CG2 3.39Å; A1232-V1236 PolarHBondContact O-N 3.02Å; L1233-V1236 PolarHBondContact O-N 2.87Å; V1236-T1240 WeakPolarHBondContact O-CB 3.36Å; V1236-T1240 PolarHBondContact O-N 3.35Å; V1236-T1240 PolarHBondContact O-OG1 3.29Å |
| 1237 | M | 78.5 | Confident | 82 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.03 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -47.6 | 179 | -82.4 | -60.1 | -63.9 | 0 | 0 | 113.1 | Y1113 Q1117 Y1120 L1186 I1190 L1233 N1234 W1235 S1241 | Y1113-M1237 HydrophobicContact CE1-SD 4.21Å; Y1113-M1237 HydrophobicContact CE2-CG 3.5Å; Y1113-M1237 HydrophobicContact CE2-SD 3.87Å; Y1113-M1237 VanDerWaalsContact CZ-SD 3.52Å; Y1113-M1237 WeakPolarHBondContact OH-CG 3.43Å; Y1113-M1237 PolarHBondContact OH-SD 3.34Å; Q1117-M1237 HydrophobicContact CB-CE 3.7Å; Q1117-M1237 HydrophobicContact CB-SD 3.61Å; Q1117-M1237 VanDerWaalsContact CD-SD 3.53Å; Q1117-M1237 HydrophobicContact CG-CE 3.66Å; Q1117-M1237 HydrophobicContact CG-SD 3.5Å; Q1117-M1237 WeakPolarHBondContact CG-SD 3.48Å; Y1120-M1237 HydrophobicContact CD1-CE 4.25Å; L1186-M1237 HydrophobicContact CD1-CE 4.22Å; L1186-M1237 HydrophobicContact CD2-CE 3.41Å; L1186-M1237 VanDerWaalsContact CD2-CE 3.41Å; L1186-M1237 HydrophobicContact CG-CE 4.39Å; I1190-M1237 HydrophobicContact CD1-CB 3.91Å; I1190-M1237 HydrophobicContact CD1-CG 3.52Å; L1233-M1237 PolarHBondContact O-N 2.98Å; L1233-M1237 VanDerWaalsContact O-N 3.14Å; N1234-M1237 PolarHBondContact O-N 3.29Å; W1235-M1237 VanDerWaalsContact C-N 3.26Å; W1235-M1237 PolarHBondContact O-N 2.88Å; M1237-S1241 PolarHBondContact O-N 3.06Å; M1237-S1241 VanDerWaalsContact O-N 3.08Å |
| 1238 | E | 75.2 | Confident | 81.9 | Confident | 86 Ų | 86 | 35 Ų | 35 | 40% | 0.402 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.8 | -50.8 | 179.4 | 179.2 | 163.5 | -162.8 | 0 | 0 | 111.4 | N1234 W1235 T1240 S1241 F1242 | N1234-E1238 PolarHBondContact O-N 2.89Å; W1235-E1238 PolarHBondContact O-N 3.36Å; E1238-T1240 PolarHBondContact O-N 2.89Å; E1238-S1241 WeakPolarHBondContact O-CB 3.35Å; E1238-S1241 PolarHBondContact O-N 3.4Å; E1238-F1242 HydrophobicContact CG-CD2 3.99Å; E1238-F1242 HydrophobicContact CG-CE2 3.34Å; E1238-F1242 HydrophobicContact CG-CZ 3.88Å; E1238-F1242 WeakPolarHBondContact O-CD2 3.27Å; E1238-F1242 PolarHBondContact O-N 2.99Å |
| 1239 | I | 84 | Confident | 82 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | -179.8 | -63.6 | 171 | 0 | 0 | 0 | 111.1 | N1077 L1081 T1084 W1235 S1241 F1242 V1243 | N1077-I1239 HydrophobicContact CB-CG2 4.23Å; N1077-I1239 WeakPolarHBondContact O-CG2 3.34Å; L1081-I1239 HydrophobicContact CB-CG2 3.75Å; L1081-I1239 HydrophobicContact CD1-CG2 4.3Å; T1084-I1239 HydrophobicContact CG2-CD1 4.06Å; W1235-I1239 HydrophobicContact CE3-CD1 3.99Å; W1235-I1239 HydrophobicContact CE3-CG1 4.28Å; W1235-I1239 WeakPolarHBondContact O-CB 3.24Å; W1235-I1239 VanDerWaalsContact O-CG1 3.25Å; W1235-I1239 WeakPolarHBondContact O-CG1 3.41Å; W1235-I1239 PolarHBondContact O-N 3.29Å; I1239-S1241 VanDerWaalsContact C-N 3.29Å; I1239-S1241 PolarHBondContact O-N 3.12Å; I1239-F1242 PolarHBondContact O-N 3.34Å; I1239-F1242 VanDerWaalsContact O-N 3.14Å; I1239-V1243 HydrophobicContact CG2-CG2 4.2Å; I1239-V1243 WeakPolarHBondContact O-CG2 3.46Å; I1239-V1243 PolarHBondContact O-N 3.29Å |
| 1240 | T | 82.2 | Confident | 82.3 | Confident | 33 Ų | 33 | 34.1 Ų | 34.1 | 20% | 0.202 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.7 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | V1236 E1238 F1242 V1243 E1244 | V1236-T1240 WeakPolarHBondContact O-CB 3.36Å; V1236-T1240 PolarHBondContact O-N 3.35Å; V1236-T1240 PolarHBondContact O-OG1 3.29Å; E1238-T1240 PolarHBondContact O-N 2.89Å; T1240-F1242 VanDerWaalsContact C-N 3.32Å; T1240-F1242 PolarHBondContact O-N 3.46Å; T1240-V1243 PolarHBondContact O-N 3.45Å; T1240-E1244 WeakPolarHBondContact O-CB 3.16Å; T1240-E1244 PolarHBondContact O-N 3.44Å |
| 1241 | S | 74.3 | Confident | 82.7 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 174.6 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | M1237 E1238 I1239 T1245 | M1237-S1241 PolarHBondContact O-N 3.06Å; M1237-S1241 VanDerWaalsContact O-N 3.08Å; E1238-S1241 WeakPolarHBondContact O-CB 3.35Å; E1238-S1241 PolarHBondContact O-N 3.4Å; I1239-S1241 VanDerWaalsContact C-N 3.29Å; I1239-S1241 PolarHBondContact O-N 3.12Å; S1241-T1245 WeakPolarHBondContact O-CB 3.26Å; S1241-T1245 PolarHBondContact O-N 3.32Å; S1241-T1245 VanDerWaalsContact O-N 3.09Å; S1241-T1245 PolarHBondContact O-OG1 3.29Å |
| 1242 | F | 81.1 | Confident | 83.1 | Confident | 79 Ų | 79 | 33.9 Ų | 33.9 | 35% | 0.346 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -68.5 | -43.8 | 175 | -65.7 | -39.7 | 0 | 0 | 0 | 112.2 | E1238 I1239 T1240 E1244 T1245 H1246 | E1238-F1242 HydrophobicContact CG-CD2 3.99Å; E1238-F1242 HydrophobicContact CG-CE2 3.34Å; E1238-F1242 HydrophobicContact CG-CZ 3.88Å; E1238-F1242 WeakPolarHBondContact O-CD2 3.27Å; E1238-F1242 PolarHBondContact O-N 2.99Å; I1239-F1242 PolarHBondContact O-N 3.34Å; I1239-F1242 VanDerWaalsContact O-N 3.14Å; T1240-F1242 VanDerWaalsContact C-N 3.32Å; T1240-F1242 PolarHBondContact O-N 3.46Å; F1242-E1244 PolarHBondContact O-N 3.06Å; F1242-T1245 PolarHBondContact O-N 3.41Å; F1242-T1245 VanDerWaalsContact O-N 3.12Å; F1242-H1246 WeakPolarHBondContact O-CB 3.37Å; F1242-H1246 PolarHBondContact O-CD2 3.46Å; F1242-H1246 VanDerWaalsContact O-CG 3.29Å; F1242-H1246 PolarHBondContact O-N 3.3Å |
| 1243 | V | 86.1 | Confident | 83.4 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 176 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | Y947 L1074 N1077 I1078 L1081 I1239 T1240 T1245 H1246 I1247 | Y947-V1243 HydrophobicContact CE1-CG1 4.24Å; L1074-V1243 HydrophobicContact CD1-CG1 4.46Å; N1077-V1243 HydrophobicContact CB-CG2 3.83Å; I1078-V1243 HydrophobicContact CG1-CG2 4.29Å; L1081-V1243 HydrophobicContact CD2-CG2 4.42Å; I1239-V1243 HydrophobicContact CG2-CG2 4.2Å; I1239-V1243 WeakPolarHBondContact O-CG2 3.46Å; I1239-V1243 PolarHBondContact O-N 3.29Å; T1240-V1243 PolarHBondContact O-N 3.45Å; V1243-T1245 VanDerWaalsContact C-N 3.25Å; V1243-T1245 PolarHBondContact O-N 3Å; V1243-H1246 PolarHBondContact O-N 2.92Å; V1243-I1247 VanDerWaalsContact O-CB 3.3Å; V1243-I1247 WeakPolarHBondContact O-CB 3.45Å; V1243-I1247 VanDerWaalsContact O-CG2 3.31Å; V1243-I1247 WeakPolarHBondContact O-CG2 3.3Å; V1243-I1247 PolarHBondContact O-N 3.32Å |
| 1244 | E | 79.9 | Confident | 83.8 | Confident | 30 Ų | 30 | 33.5 Ų | 33.5 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.1 | -33.2 | 175.8 | -172.8 | 176.6 | 167.4 | 0 | 0 | 112.1 | V942 V1121 R1125 T1240 F1242 I1247 | V942-E1244 HydrophobicContact CG2-CG 4.46Å; V1121-E1244 WeakPolarHBondContact CG1-OE2 3.39Å; R1125-E1244 IonicContact NH1-OE1 3.12Å; R1125-E1244 PolarHBondContact NH1-OE1 2.84Å; T1240-E1244 WeakPolarHBondContact O-CB 3.16Å; T1240-E1244 PolarHBondContact O-N 3.44Å; F1242-E1244 PolarHBondContact O-N 3.06Å; E1244-I1247 WeakPolarHBondContact O-CG2 3.46Å |
| 1245 | T | 75.9 | Confident | 84.3 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 26% | 0.264 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -75.9 | -45.1 | 177.3 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | S1241 F1242 V1243 V1248 | S1241-T1245 WeakPolarHBondContact O-CB 3.26Å; S1241-T1245 PolarHBondContact O-N 3.32Å; S1241-T1245 VanDerWaalsContact O-N 3.09Å; S1241-T1245 PolarHBondContact O-OG1 3.29Å; F1242-T1245 PolarHBondContact O-N 3.41Å; F1242-T1245 VanDerWaalsContact O-N 3.12Å; V1243-T1245 VanDerWaalsContact C-N 3.25Å; V1243-T1245 PolarHBondContact O-N 3Å; T1245-V1248 WeakPolarHBondContact O-CB 3.38Å; T1245-V1248 PolarHBondContact O-N 2.66Å |
| 1246 | H | 84.8 | Confident | 84.6 | Confident | 29 Ų | 29 | 29.9 Ų | 29.9 | 13% | 0.134 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -76.8 | -27.9 | -174.9 | -65.1 | -50.3 | 0 | 0 | 0 | 113 | M1069 L1074 N1077 F1242 V1243 V1248 S1249 | M1069-H1246 PolarHBondContact SD-ND1 3.23Å; M1069-H1246 VanDerWaalsContact SD-ND1 3.41Å; L1074-H1246 HydrophobicContact CB-CB 4.44Å; L1074-H1246 HydrophobicContact CD1-CB 4.2Å; N1077-H1246 PolarHBondContact ND2-CD2 2.94Å; N1077-H1246 PolarHBondContact ND2-NE2 2.87Å; F1242-H1246 WeakPolarHBondContact O-CB 3.37Å; F1242-H1246 PolarHBondContact O-CD2 3.46Å; F1242-H1246 VanDerWaalsContact O-CG 3.29Å; F1242-H1246 PolarHBondContact O-N 3.3Å; V1243-H1246 PolarHBondContact O-N 2.92Å; H1246-V1248 PolarHBondContact O-N 2.94Å; H1246-S1249 WeakPolarHBondContact O-CB 3.12Å; H1246-S1249 PolarHBondContact O-N 3.49Å; H1246-S1249 VanDerWaalsContact O-N 3.12Å |
| 1247 | I | 89.1 | Confident | 85 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -20.8 | 176.4 | -160.9 | 69 | 0 | 0 | 0 | 112.4 | V942 I946 Y947 Y950 L1074 V1243 E1244 S1249 V1250 E1251 | V942-I1247 HydrophobicContact CB-CG2 4.18Å; V942-I1247 HydrophobicContact CG1-CG2 3.87Å; V942-I1247 HydrophobicContact CG2-CG2 3.82Å; I946-I1247 HydrophobicContact CG2-CG1 4Å; Y947-I1247 HydrophobicContact CD1-CD1 4.48Å; Y947-I1247 HydrophobicContact CD1-CG1 4.21Å; Y947-I1247 HydrophobicContact CE1-CB 4.4Å; Y947-I1247 HydrophobicContact CE1-CG1 4.07Å; Y947-I1247 HydrophobicContact CE1-CG2 4.26Å; Y947-I1247 HydrophobicContact CE2-CG2 4.41Å; Y950-I1247 HydrophobicContact CD1-CD1 4.47Å; Y950-I1247 HydrophobicContact CG-CD1 4.25Å; L1074-I1247 HydrophobicContact CD1-CD1 4.41Å; L1074-I1247 HydrophobicContact CD2-CD1 3.95Å; V1243-I1247 VanDerWaalsContact O-CB 3.3Å; V1243-I1247 WeakPolarHBondContact O-CB 3.45Å; V1243-I1247 VanDerWaalsContact O-CG2 3.31Å; V1243-I1247 WeakPolarHBondContact O-CG2 3.3Å; V1243-I1247 PolarHBondContact O-N 3.32Å; E1244-I1247 WeakPolarHBondContact O-CG2 3.46Å; I1247-S1249 PolarHBondContact O-N 3.49Å; I1247-V1250 HydrophobicContact CD1-CB 4.22Å; I1247-V1250 HydrophobicContact CD1-CG2 3.93Å; I1247-V1250 WeakPolarHBondContact O-CA 3.18Å; I1247-V1250 WeakPolarHBondContact O-CB 3.4Å; I1247-V1250 PolarHBondContact O-N 3.24Å; I1247-E1251 PolarHBondContact O-N 2.97Å |
| 1248 | V | 84.2 | Confident | 85.5 | Confident | 41 Ų | 41 | 36.2 Ų | 36.2 | 25% | 0.248 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.6 | -29.3 | 172.8 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | V942 T1245 H1246 V1250 E1251 R1252 | V942-V1248 HydrophobicContact CG2-CG2 3.72Å; T1245-V1248 WeakPolarHBondContact O-CB 3.38Å; T1245-V1248 PolarHBondContact O-N 2.66Å; H1246-V1248 PolarHBondContact O-N 2.94Å; V1248-V1250 VanDerWaalsContact C-N 3.29Å; V1248-V1250 PolarHBondContact O-N 3.44Å; V1248-E1251 WeakPolarHBondContact O-CB 3.38Å; V1248-E1251 PolarHBondContact O-N 3.42Å; V1248-R1252 HydrophobicContact CG1-CG 4.5Å; V1248-R1252 WeakPolarHBondContact O-CG 3Å; V1248-R1252 PolarHBondContact O-N 3.15Å |
| 1249 | S | 87.3 | Confident | 86.1 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.1 | -36.5 | 172.1 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | D1066 H1246 I1247 I1253 | D1066-S1249 WeakPolarHBondContact OD1-CB 3.46Å; D1066-S1249 PolarHBondContact OD1-OG 2.93Å; H1246-S1249 WeakPolarHBondContact O-CB 3.12Å; H1246-S1249 PolarHBondContact O-N 3.49Å; H1246-S1249 VanDerWaalsContact O-N 3.12Å; I1247-S1249 PolarHBondContact O-N 3.49Å; S1249-I1253 WeakPolarHBondContact O-CD1 3.46Å; S1249-I1253 WeakPolarHBondContact O-CG1 3.21Å; S1249-I1253 PolarHBondContact O-N 3.31Å |
| 1250 | V | 91.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69 | -38.9 | 174.9 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | I946 Y950 L1035 V1070 L1074 I1247 V1248 I1253 D1254 | I946-V1250 HydrophobicContact CG2-CB 4.09Å; I946-V1250 HydrophobicContact CG2-CG1 4.06Å; Y950-V1250 HydrophobicContact CD2-CG2 4.06Å; L1035-V1250 HydrophobicContact CD1-CG1 4.39Å; V1070-V1250 HydrophobicContact CG2-CG2 3.67Å; L1074-V1250 HydrophobicContact CD2-CG2 4.03Å; I1247-V1250 HydrophobicContact CD1-CB 4.22Å; I1247-V1250 HydrophobicContact CD1-CG2 3.93Å; I1247-V1250 WeakPolarHBondContact O-CA 3.18Å; I1247-V1250 WeakPolarHBondContact O-CB 3.4Å; I1247-V1250 PolarHBondContact O-N 3.24Å; V1248-V1250 VanDerWaalsContact C-N 3.29Å; V1248-V1250 PolarHBondContact O-N 3.44Å; V1250-I1253 PolarHBondContact O-N 2.86Å; V1250-D1254 WeakPolarHBondContact O-CB 3.3Å; V1250-D1254 PolarHBondContact O-N 2.82Å |
| 1251 | E | 89.4 | Confident | 86.3 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 22% | 0.22 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 175.1 | -178.6 | 168.9 | -139.7 | 0 | 0 | 111.9 | I946 I1247 V1248 I1253 D1254 E1255 | I946-E1251 HydrophobicContact CD1-CB 4.05Å; I946-E1251 HydrophobicContact CD1-CG 3.95Å; I946-E1251 HydrophobicContact CG1-CB 4Å; I946-E1251 HydrophobicContact CG1-CG 4.05Å; I946-E1251 HydrophobicContact CG2-CB 4.04Å; I1247-E1251 PolarHBondContact O-N 2.97Å; V1248-E1251 WeakPolarHBondContact O-CB 3.38Å; V1248-E1251 PolarHBondContact O-N 3.42Å; E1251-I1253 VanDerWaalsContact C-N 3.35Å; E1251-I1253 PolarHBondContact O-N 2.95Å; E1251-D1254 PolarHBondContact O-N 3.39Å; E1251-E1255 PolarHBondContact O-N 2.84Å |
| 1252 | R | 87.6 | Confident | 86.8 | Confident | 56 Ų | 56 | 46.9 Ų | 46.9 | 21% | 0.211 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.2 | -34.8 | 175.8 | -73.4 | 163.6 | 162.1 | -170.1 | -2.8 | 113.4 | E935 V1248 Y1256 | E935-R1252 IonicContact OE1-CZ 2.78Å; E935-R1252 IonicContact OE1-NE 3.27Å; E935-R1252 IonicContact OE1-NH2 3.76Å; E935-R1252 PolarHBondContact OE1-NH2 3.39Å; E935-R1252 VanDerWaalsContact OE1-NH2 3.13Å; V1248-R1252 HydrophobicContact CG1-CG 4.5Å; V1248-R1252 WeakPolarHBondContact O-CG 3Å; V1248-R1252 PolarHBondContact O-N 3.15Å; R1252-Y1256 WeakPolarHBondContact O-CD2 3.34Å; R1252-Y1256 PolarHBondContact O-N 3.38Å |
| 1253 | I | 91.4 | Very high | 87 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.4 | -43.6 | 173.2 | -70.1 | 162.4 | 0 | 0 | 0 | 110.1 | L1039 D1066 I1067 V1070 S1249 V1250 E1251 E1255 Y1256 I1257 | L1039-I1253 HydrophobicContact CB-CG2 4.24Å; L1039-I1253 HydrophobicContact CD1-CG2 4.48Å; L1039-I1253 HydrophobicContact CD2-CG1 4.3Å; L1039-I1253 HydrophobicContact CD2-CG2 4.22Å; D1066-I1253 HydrophobicContact CB-CD1 4.12Å; D1066-I1253 HydrophobicContact CB-CG1 4.2Å; I1067-I1253 HydrophobicContact CD1-CD1 3.78Å; I1067-I1253 HydrophobicContact CG1-CD1 4.37Å; V1070-I1253 HydrophobicContact CG2-CD1 4.06Å; S1249-I1253 WeakPolarHBondContact O-CD1 3.46Å; S1249-I1253 WeakPolarHBondContact O-CG1 3.21Å; S1249-I1253 PolarHBondContact O-N 3.31Å; V1250-I1253 PolarHBondContact O-N 2.86Å; E1251-I1253 VanDerWaalsContact C-N 3.35Å; E1251-I1253 PolarHBondContact O-N 2.95Å; I1253-E1255 VanDerWaalsContact C-N 3.33Å; I1253-E1255 PolarHBondContact O-N 2.8Å; I1253-Y1256 PolarHBondContact O-N 3.29Å; I1253-I1257 HydrophobicContact CG2-CD1 3.66Å; I1253-I1257 HydrophobicContact CG2-CG1 4.34Å; I1253-I1257 VanDerWaalsContact O-CG1 3.3Å; I1253-I1257 WeakPolarHBondContact O-CG1 3.43Å; I1253-I1257 PolarHBondContact O-N 2.9Å |
| 1254 | D | 91.2 | Very high | 87 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 178.2 | -173.4 | 50.1 | 0 | 0 | 0 | 112.2 | I949 V1250 E1251 Y1256 I1257 R1258 | I949-D1254 HydrophobicContact CD1-CB 4.48Å; I949-D1254 VanDerWaalsContact CD1-OD2 3.24Å; I949-D1254 WeakPolarHBondContact CD1-OD2 3.35Å; V1250-D1254 WeakPolarHBondContact O-CB 3.3Å; V1250-D1254 PolarHBondContact O-N 2.82Å; E1251-D1254 PolarHBondContact O-N 3.39Å; D1254-Y1256 VanDerWaalsContact C-N 3.32Å; D1254-Y1256 PolarHBondContact O-N 3.17Å; D1254-I1257 PolarHBondContact O-N 2.85Å; D1254-R1258 VanDerWaalsContact O-CG 3.31Å; D1254-R1258 WeakPolarHBondContact O-CG 3.45Å; D1254-R1258 PolarHBondContact O-N 3.12Å; D1254-R1258 VanDerWaalsContact O-N 3.11Å; D1254-R1258 IonicContact OD1-CZ 3.13Å; D1254-R1258 IonicContact OD1-NE 2.71Å; D1254-R1258 PolarHBondContact OD1-NE 3.24Å; D1254-R1258 IonicContact OD1-NH2 2.79Å; D1254-R1258 PolarHBondContact OD1-NH2 2.83Å; D1254-R1258 IonicContact OD2-CZ 2.72Å; D1254-R1258 IonicContact OD2-NE 2.77Å; D1254-R1258 PolarHBondContact OD2-NE 3.09Å; D1254-R1258 IonicContact OD2-NH2 3.52Å; D1254-R1258 PolarHBondContact OD2-NH2 2.96Å |
| 1255 | E | 88.5 | Confident | 87.2 | Confident | 82 Ų | 82 | 47.6 Ų | 47.6 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54 | -48 | 172.7 | -176.3 | -172.4 | 178.7 | 0 | 0 | 111.6 | E1251 I1253 R1258 L1259 | E1251-E1255 PolarHBondContact O-N 2.84Å; I1253-E1255 VanDerWaalsContact C-N 3.33Å; I1253-E1255 PolarHBondContact O-N 2.8Å; E1255-R1258 PolarHBondContact O-N 3.33Å; E1255-L1259 PolarHBondContact O-N 3.38Å |
| 1256 | Y | 89.9 | Confident | 87.6 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.5 | -28.1 | -178.9 | -81.3 | -120 | 0 | 0 | 0 | 113.1 | L1039 S1042 L1043 F1050 I1059 R1062 R1252 I1253 D1254 R1258 L1259 | L1039-Y1256 HydrophobicContact CD1-CG 4.47Å; S1042-Y1256 PolarHBondContact OG-O 3.23Å; L1043-Y1256 HydrophobicContact CD2-CD1 3.86Å; L1043-Y1256 HydrophobicContact CD2-CE1 4.48Å; F1050-Y1256 HydrophobicContact CE1-CE1 4.11Å; F1050-Y1256 AromaticContact CZ-CD1 4Å; F1050-Y1256 HydrophobicContact CZ-CD1 4Å; F1050-Y1256 AromaticContact CZ-CE1 3.49Å; F1050-Y1256 HydrophobicContact CZ-CE1 3.49Å; F1050-Y1256 VanDerWaalsContact CZ-CE1 3.49Å; I1059-Y1256 HydrophobicContact CG1-CE1 4.31Å; R1062-Y1256 HydrophobicContact CG-CD1 4.29Å; R1062-Y1256 HydrophobicContact CG-CD2 4.25Å; R1062-Y1256 HydrophobicContact CG-CE1 4.04Å; R1062-Y1256 HydrophobicContact CG-CE2 4.05Å; R1062-Y1256 HydrophobicContact CG-CG 4.38Å; R1252-Y1256 WeakPolarHBondContact O-CD2 3.34Å; R1252-Y1256 PolarHBondContact O-N 3.38Å; I1253-Y1256 PolarHBondContact O-N 3.29Å; D1254-Y1256 VanDerWaalsContact C-N 3.32Å; D1254-Y1256 PolarHBondContact O-N 3.17Å; Y1256-R1258 VanDerWaalsContact C-N 3.26Å; Y1256-R1258 PolarHBondContact O-N 3.3Å; Y1256-L1259 HydrophobicContact CD1-CD1 4.04Å; Y1256-L1259 HydrophobicContact CG-CD1 4.11Å |
| 1257 | I | 92.2 | Very high | 87.5 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -29.2 | 173.2 | -70.8 | 169.1 | 0 | 0 | 0 | 111.4 | L1035 N1038 L1039 S1042 I1253 D1254 | L1035-I1257 HydrophobicContact CD2-CD1 4.45Å; N1038-I1257 HydrophobicContact CB-CD1 3.87Å; N1038-I1257 HydrophobicContact CB-CG1 4.18Å; N1038-I1257 HydrophobicContact CB-CG2 4.41Å; L1039-I1257 HydrophobicContact CB-CG1 4.25Å; L1039-I1257 HydrophobicContact CD1-CG1 4.49Å; S1042-I1257 PolarHBondContact OG-O 3.48Å; I1253-I1257 HydrophobicContact CG2-CD1 3.66Å; I1253-I1257 HydrophobicContact CG2-CG1 4.34Å; I1253-I1257 VanDerWaalsContact O-CG1 3.3Å; I1253-I1257 WeakPolarHBondContact O-CG1 3.43Å; I1253-I1257 PolarHBondContact O-N 2.9Å; D1254-I1257 PolarHBondContact O-N 2.85Å |
| 1258 | R | 89.6 | Confident | 87.1 | Confident | 134 Ų | 134 | 61.1 Ų | 61.1 | 51% | 0.506 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -0 | -177.9 | -67.6 | 176.9 | -168.9 | -129.1 | 8.8 | 114.5 | D1254 E1255 Y1256 | D1254-R1258 VanDerWaalsContact O-CG 3.31Å; D1254-R1258 WeakPolarHBondContact O-CG 3.45Å; D1254-R1258 PolarHBondContact O-N 3.12Å; D1254-R1258 VanDerWaalsContact O-N 3.11Å; D1254-R1258 IonicContact OD1-CZ 3.13Å; D1254-R1258 IonicContact OD1-NE 2.71Å; D1254-R1258 PolarHBondContact OD1-NE 3.24Å; D1254-R1258 IonicContact OD1-NH2 2.79Å; D1254-R1258 PolarHBondContact OD1-NH2 2.83Å; D1254-R1258 IonicContact OD2-CZ 2.72Å; D1254-R1258 IonicContact OD2-NE 2.77Å; D1254-R1258 PolarHBondContact OD2-NE 3.09Å; D1254-R1258 IonicContact OD2-NH2 3.52Å; D1254-R1258 PolarHBondContact OD2-NH2 2.96Å; E1255-R1258 PolarHBondContact O-N 3.33Å; Y1256-R1258 VanDerWaalsContact C-N 3.26Å; Y1256-R1258 PolarHBondContact O-N 3.3Å |
| 1259 | L | 87 | Confident | 87 | Confident | 43 Ų | 43 | 64 Ų | 64 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -56.6 | 146.5 | 177.1 | -71.7 | 168.5 | 0 | 0 | 0 | 111.2 | V1046 F1050 E1255 Y1256 R1261 | V1046-L1259 HydrophobicContact CG1-CD1 4.47Å; V1046-L1259 HydrophobicContact CG2-CB 3.99Å; V1046-L1259 HydrophobicContact CG2-CD1 4Å; F1050-L1259 HydrophobicContact CD2-CD1 4.11Å; F1050-L1259 HydrophobicContact CD2-CD2 4.41Å; F1050-L1259 HydrophobicContact CE1-CD1 4.16Å; F1050-L1259 HydrophobicContact CE2-CD1 3.55Å; F1050-L1259 HydrophobicContact CE2-CD2 4.1Å; F1050-L1259 HydrophobicContact CE2-CG 4.49Å; F1050-L1259 HydrophobicContact CZ-CD1 3.58Å; E1255-L1259 PolarHBondContact O-N 3.38Å; Y1256-L1259 HydrophobicContact CD1-CD1 4.04Å; Y1256-L1259 HydrophobicContact CG-CD1 4.11Å; L1259-R1261 PolarHBondContact O-N 3.29Å |
| 1260 | K | 85 | Confident | 86.4 | Confident | 184 Ų | 184 | 70.3 Ų | 70.3 | 80% | 0.8 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 123.7 | 175.9 | -173.7 | 179.7 | 179.2 | -177.1 | 0 | 108.8 | P1047 | P1047-K1260 WeakPolarHBondContact CD-O 3.37Š|
| 1261 | R | 85.5 | Confident | 85.7 | Confident | 124 Ų | 124 | 71.1 Ų | 71.1 | 47% | 0.468 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 154.8 | -179.5 | -59.5 | 177.7 | -173.2 | 174.8 | 1.7 | 110.7 | R1045 L1259 | R1045-R1261 HydrophobicContact CB-CB 4.24Å; R1045-R1261 HydrophobicContact CB-CG 4.15Å; R1045-R1261 CarbonylContact O-C 3.57Å; R1045-R1261 WeakPolarHBondContact O-CA 3.39Å; L1259-R1261 PolarHBondContact O-N 3.29Å |
| 1262 | E | 85.1 | Confident | 85.2 | Confident | 19 Ų | 19 | 73 Ų | 73 | 9% | 0.089 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 164.8 | 166.9 | -154.1 | 179.1 | 179.2 | 0 | 0 | 110.8 | K521 R1045 L1351 R1355 | K521-E1262 IonicContact NZ-OE2 2.77Å; K521-E1262 PolarHBondContact NZ-OE2 3.31Å; R1045-E1262 PolarHBondContact NH2-O 2.94Å; R1045-E1262 VanDerWaalsContact NH2-O 3.08Å; R1045-E1262 VanDerWaalsContact O-CB 3.31Å; R1045-E1262 WeakPolarHBondContact O-CB 3.3Å; R1045-E1262 PolarHBondContact O-N 3.41Å; E1262-L1351 HydrophobicContact CB-CD1 4.35Å; E1262-L1351 HydrophobicContact CG-CD1 3.67Å; E1262-R1355 IonicContact OE1-CZ 2.78Å; E1262-R1355 IonicContact OE1-NH1 2.67Å; E1262-R1355 PolarHBondContact OE1-NH1 3.45Å; E1262-R1355 VanDerWaalsContact OE1-NH1 3.12Å; E1262-R1355 IonicContact OE1-NH2 3.03Å; E1262-R1355 PolarHBondContact OE1-NH2 3.39Å; E1262-R1355 IonicContact OE2-NH1 3.52Å |
| 1263 | A | 85 | Confident | 84.6 | Confident | 31 Ų | 31 | 74.4 Ų | 74.4 | 26% | 0.256 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -52.5 | 160.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1045 W1265 L1351 | R1045-A1263 PolarHBondContact NH2-O 3.38Å; R1045-A1263 VanDerWaalsContact NH2-O 3.1Å; A1263-W1265 PolarHBondContact O-N 3.46Å; A1263-L1351 HydrophobicContact CB-CD1 4.08Å; A1263-L1351 HydrophobicContact CB-CD2 4.44Å; A1263-L1351 HydrophobicContact CB-CG 4.23Å; A1263-L1351 VanDerWaalsContact O-CD1 3.27Å; A1263-L1351 WeakPolarHBondContact O-CD1 3.47Å |
| 1264 | S | 86.4 | Confident | 83.9 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 48% | 0.483 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 136.1 | -175.5 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | K1266 L1351 | S1264-K1266 VanDerWaalsContact CB-O 3.3Å; S1264-K1266 WeakPolarHBondContact CB-O 3.29Å; S1264-K1266 PolarHBondContact O-N 3.44Å; S1264-L1351 PolarHBondContact O-N 3.3Å |
| 1265 | W | 85.4 | Confident | 83.3 | Confident | 34 Ų | 34 | 80.9 Ų | 80.9 | 13% | 0.129 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -58.1 | -35.7 | 175.6 | -67.7 | -23.3 | 0 | 0 | 0 | 113.1 | E526 P527 H1041 R1045 A1263 G1350 L1351 H1352 | E526-W1265 HydrophobicContact CB-CH2 4.45Å; E526-W1265 HydrophobicContact CB-CZ2 3.94Å; E526-W1265 HydrophobicContact CG-CZ2 4.45Å; P527-W1265 HydrophobicContact CG-CZ3 4.32Å; H1041-W1265 AromaticContact CE1-CH2 3.9Å; H1041-W1265 AromaticContact CE1-CZ3 3.89Å; R1045-W1265 VanDerWaalsContact CD-NE1 3.31Å; R1045-W1265 HydrophobicContact CG-CH2 4.46Å; R1045-W1265 HydrophobicContact CG-CZ2 3.97Å; A1263-W1265 PolarHBondContact O-N 3.46Å; W1265-G1350 CarbonylContact O-C 3.53Å; W1265-G1350 VanDerWaalsContact O-C 3.31Å; W1265-G1350 WeakPolarHBondContact O-CA 3.33Å; W1265-L1351 PolarHBondContact O-N 2.93Å; W1265-H1352 HydrophobicContact CB-CB 4.44Å; W1265-H1352 AromaticContact CD1-CD2 3.48Å; W1265-H1352 VanDerWaalsContact CD1-CD2 3.48Å; W1265-H1352 AromaticContact CD1-CE1 3.73Å; W1265-H1352 AromaticContact CD1-NE2 3.09Å; W1265-H1352 AromaticContact CD2-CE1 3.37Å; W1265-H1352 AromaticContact CD2-NE2 3.54Å; W1265-H1352 AromaticContact CE2-CE1 3.62Å; W1265-H1352 AromaticContact CE2-NE2 3.47Å; W1265-H1352 AromaticContact CE3-CE1 3.86Å; W1265-H1352 AromaticContact CG-CD2 3.67Å; W1265-H1352 AromaticContact CG-CE1 3.44Å; W1265-H1352 VanDerWaalsContact CG-CE1 3.44Å; W1265-H1352 AromaticContact CG-ND1 3.88Å; W1265-H1352 AromaticContact CG-NE2 3.28Å; W1265-H1352 VanDerWaalsContact CG-NE2 3.28Å; W1265-H1352 AromaticContact NE1-CE1 3.8Å; W1265-H1352 AromaticContact NE1-NE2 3.17Å; W1265-H1352 PolarHBondContact NE1-NE2 2.97Å; W1265-H1352 VanDerWaalsContact NE1-NE2 3.17Å; W1265-H1352 WeakPolarHBondContact O-CB 3.08Å; W1265-H1352 PolarHBondContact O-N 2.72Å |
| 1266 | K | 82.5 | Confident | 83 | Confident | 140 Ų | 140 | 77.8 Ų | 77.8 | 61% | 0.609 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -127.8 | 142.1 | 173.5 | -66 | -169.3 | 172.7 | -164.9 | 0 | 109.3 | S1264 | S1264-K1266 VanDerWaalsContact CB-O 3.3Å; S1264-K1266 WeakPolarHBondContact CB-O 3.29Å; S1264-K1266 PolarHBondContact O-N 3.44Å |
| 1267 | T | 83.8 | Confident | 82.5 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 25% | 0.252 | 42% | 0.417 | S | S | . | . | trans | -112.1 | 169.7 | 174.8 | 43.5 | 0 | 0 | 0 | 0 | 109.7 | F1269 D1348 G1350 | T1267-F1269 PolarHBondContact O-N 3.16Å; T1267-F1269 PolarHBondContact OG1-O 3.24Å; T1267-D1348 PolarHBondContact OG1-O 2.94Å; T1267-D1348 VanDerWaalsContact OG1-O 3.1Å; T1267-G1350 PolarHBondContact OG1-N 3.33Å | ||
| 1268 | D | 81.3 | Confident | 82.1 | Confident | 178 Ų | 178 | 84.8 Ų | 84.8 | 95% | 0.952 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -66.1 | -28.7 | 174.4 | -61.4 | -34.2 | 0 | 0 | 0 | 111.6 | Q1270 | D1268-Q1270 PolarHBondContact O-N 2.84Š|
| 1269 | F | 81.1 | Confident | 81.8 | Confident | 102 Ų | 102 | 78.4 Ų | 78.4 | 45% | 0.447 | 41% | 0.411 | S | S | . | . | trans | -79.1 | 115 | 170.1 | -175.1 | -95.4 | 0 | 0 | 0 | 110.3 | T1267 V1344 L1349 | T1267-F1269 PolarHBondContact O-N 3.16Å; T1267-F1269 PolarHBondContact OG1-O 3.24Å; F1269-V1344 HydrophobicContact CE1-CG1 3.66Å; F1269-V1344 HydrophobicContact CZ-CG1 4.16Å; F1269-L1349 HydrophobicContact CD1-CD2 3.85Å; F1269-L1349 HydrophobicContact CE1-CD2 3.82Å | ||
| 1270 | Q | 75.4 | Confident | 82 | Confident | 140 Ų | 140 | 81 Ų | 81 | 65% | 0.654 | 42% | 0.418 | S | S | * | . | trans | -108.7 | 122.7 | 172.9 | -69 | -176.6 | 4 | 0 | 0 | 109.3 | D1268 | D1268-Q1270 PolarHBondContact O-N 2.84Š| ||
| 1271 | P | 75.8 | Confident | 82.3 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 12% | 0.123 | 38% | 0.379 | C | S | . | . | trans | -69 | 160.3 | 177 | 31 | -35.4 | 0 | 0 | 0 | 111 | W1275 L1349 D1353 | P1271-W1275 HydrophobicContact CB-CB 4.04Å; P1271-W1275 HydrophobicContact CB-CD2 4.05Å; P1271-W1275 HydrophobicContact CB-CE3 4.16Å; P1271-W1275 HydrophobicContact CB-CG 4.01Å; P1271-W1275 HydrophobicContact CG-CE3 4.24Å; P1271-L1349 HydrophobicContact CB-CD2 3.91Å; P1271-L1349 HydrophobicContact CG-CD2 3.73Å; P1271-D1353 HydrophobicContact CG-CB 4.18Å | ||
| 1272 | P | 79.4 | Confident | 82.6 | Confident | 85 Ų | 85 | 69 Ų | 69 | 55% | 0.552 | 37% | 0.371 | S | S | * | . | trans | -52.3 | 152.1 | 170.6 | -24.5 | 33.3 | 0 | 0 | 0 | 112.6 | D1274 W1275 R1357 | P1272-D1274 PolarHBondContact O-N 3.03Å; P1272-W1275 WeakPolarHBondContact O-CB 3.31Å; P1272-W1275 PolarHBondContact O-N 3.35Å; P1272-W1275 VanDerWaalsContact O-N 3.13Å; P1272-R1357 PolarHBondContact O-NH1 3.49Å; P1272-R1357 PolarHBondContact O-NH2 3.14Å | ||
| 1273 | A | 74.4 | Confident | 83 | Confident | 87 Ų | 87 | 68.2 Ų | 68.2 | 72% | 0.719 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -34.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1357 | A1273-R1357 PolarHBondContact O-NH2 3.32Š|
| 1274 | D | 76.6 | Confident | 83.3 | Confident | 134 Ų | 134 | 70.1 Ų | 70.1 | 72% | 0.717 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 1.4 | -176.3 | -54.1 | -29.6 | 0 | 0 | 0 | 114.2 | P1272 P1276 S1277 | P1272-D1274 PolarHBondContact O-N 3.03Å; D1274-P1276 CarbonylContact O-C 3.56Å; D1274-P1276 VanDerWaalsContact O-C 3.27Å; D1274-S1277 WeakPolarHBondContact O-CA 3.19Å; D1274-S1277 PolarHBondContact O-N 3.5Å |
| 1275 | W | 80.4 | Confident | 83.5 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 7% | 0.068 | 38% | 0.376 | C | S | . | . | trans | -69.7 | 154.1 | 176 | -177.3 | 90.4 | 0 | 0 | 0 | 110.4 | P1271 P1272 I1341 V1344 L1349 L1354 R1357 | P1271-W1275 HydrophobicContact CB-CB 4.04Å; P1271-W1275 HydrophobicContact CB-CD2 4.05Å; P1271-W1275 HydrophobicContact CB-CE3 4.16Å; P1271-W1275 HydrophobicContact CB-CG 4.01Å; P1271-W1275 HydrophobicContact CG-CE3 4.24Å; P1272-W1275 WeakPolarHBondContact O-CB 3.31Å; P1272-W1275 PolarHBondContact O-N 3.35Å; P1272-W1275 VanDerWaalsContact O-N 3.13Å; W1275-I1341 HydrophobicContact CH2-CB 4.17Å; W1275-I1341 HydrophobicContact CH2-CD1 4.44Å; W1275-I1341 HydrophobicContact CH2-CG2 4.07Å; W1275-I1341 HydrophobicContact CZ2-CB 3.64Å; W1275-I1341 HydrophobicContact CZ2-CG2 3.6Å; W1275-I1341 PolarHBondContact NE1-O 3.21Å; W1275-V1344 HydrophobicContact CZ2-CB 4.21Å; W1275-L1349 HydrophobicContact CH2-CD1 3.19Å; W1275-L1349 HydrophobicContact CZ2-CD1 3.53Å; W1275-L1349 HydrophobicContact CZ3-CD1 3.81Å; W1275-L1354 HydrophobicContact CH2-CD1 4.01Å; W1275-L1354 HydrophobicContact CZ3-CD1 4.5Å; W1275-R1357 WeakPolarHBondContact O-CD 3.44Å; W1275-R1357 PolarHBondContact O-NE 3.44Å; W1275-R1357 PolarHBondContact O-NH1 2.99Å | ||
| 1276 | P | 80.3 | Confident | 83.8 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 10% | 0.104 | 37% | 0.371 | C | S | . | . | S | Bend | cis | -60.4 | 130.4 | -28.7 | 29.6 | -32.1 | 0 | 0 | 0 | 109.2 | D1274 I1341 D1342 R1430 I1431 | D1274-P1276 CarbonylContact O-C 3.56Å; D1274-P1276 VanDerWaalsContact O-C 3.27Å; P1276-I1341 HydrophobicContact CB-CG2 3.92Å; P1276-D1342 VanDerWaalsContact C-OD2 3.25Å; P1276-D1342 WeakPolarHBondContact CA-OD2 3.43Å; P1276-D1342 VanDerWaalsContact CB-OD2 3.28Å; P1276-D1342 WeakPolarHBondContact CB-OD2 3.47Å; P1276-R1430 HydrophobicContact CG-CB 4.37Å; P1276-R1430 WeakPolarHBondContact O-CG 3.14Å; P1276-I1431 HydrophobicContact CB-CD1 4.33Å; P1276-I1431 HydrophobicContact CG-CD1 4.13Å; P1276-I1431 HydrophobicContact CG-CG1 4.49Å |
| 1277 | S | 80.6 | Confident | 84.3 | Confident | 70 Ų | 70 | 65 Ų | 65 | 49% | 0.49 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -87.6 | -35 | -178.6 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | D1274 D1342 | D1274-S1277 WeakPolarHBondContact O-CA 3.19Å; D1274-S1277 PolarHBondContact O-N 3.5Å; S1277-D1342 PolarHBondContact N-OD2 3.42Å |
| 1278 | K | 83.1 | Confident | 84.5 | Confident | 113 Ų | 113 | 63 Ų | 63 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -107.2 | -35.7 | -176.1 | -62.5 | 175.6 | 170.5 | -163.5 | 0 | 112.4 | E1307 D1342 | K1278-E1307 HydrophobicContact CB-CB 4.2Å; K1278-E1307 WeakPolarHBondContact CD-OE2 3.48Å; K1278-D1342 WeakPolarHBondContact CB-OD1 3.34Å; K1278-D1342 PolarHBondContact N-OD2 2.47Å |
| 1279 | G | 83 | Confident | 84.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | 84.2 | 21.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1342 T1461 | G1279-D1342 PolarHBondContact N-OD1 3.43Å; G1279-D1342 PolarHBondContact N-OD2 3.33Å; G1279-T1461 PolarHBondContact O-OG1 3.48Å | ||
| 1280 | R | 91.2 | Very high | 84 | Confident | 97 Ų | 97 | 56.6 Ų | 56.6 | 37% | 0.366 | 29% | 0.291 | S | S | . | . | trans | -74.3 | 130.3 | 177.7 | -177.4 | -176 | 178.6 | -164.7 | 1.3 | 110.5 | I1305 I1341 D1342 E1343 | R1280-I1305 WeakPolarHBondContact CA-O 3.43Å; R1280-I1305 WeakPolarHBondContact CG-O 3.42Å; R1280-I1341 WeakPolarHBondContact O-CA 3.32Å; R1280-D1342 PolarHBondContact N-OD1 2.92Å; R1280-D1342 PolarHBondContact O-N 3.42Å; R1280-E1343 IonicContact NH1-OE1 3.65Å | ||
| 1281 | I | 91.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.5 | -178.4 | -53.5 | 169.6 | 0 | 0 | 0 | 110.1 | F1283 V1304 I1305 L1328 I1339 I1431 L1463 | I1281-F1283 HydrophobicContact CG2-CD2 3.96Å; I1281-F1283 HydrophobicContact CG2-CE2 3.73Å; I1281-V1304 CarbonylContact O-C 3.57Å; I1281-V1304 WeakPolarHBondContact O-CA 3.36Å; I1281-I1305 HydrophobicContact CB-CB 4.25Å; I1281-I1305 PolarHBondContact N-O 3.48Å; I1281-I1305 PolarHBondContact O-N 3.12Å; I1281-L1328 HydrophobicContact CD1-CD1 4.29Å; I1281-L1328 HydrophobicContact CD1-CD2 4.37Å; I1281-L1328 HydrophobicContact CG2-CD1 3.83Å; I1281-I1339 HydrophobicContact CG2-CG2 4.39Å; I1281-I1431 HydrophobicContact CD1-CD1 4.13Å; I1281-I1431 HydrophobicContact CD1-CG1 4.49Å; I1281-I1431 HydrophobicContact CD1-CG2 3.85Å; I1281-I1431 HydrophobicContact CG1-CD1 4.06Å; I1281-L1463 HydrophobicContact CD1-CD1 3.64Å |
| 1282 | L | 93.2 | Very high | 83.5 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 29% | 0.288 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.5 | 176.8 | 165.5 | 70 | 0 | 0 | 0 | 109.7 | V1304 I1339 Y1340 | L1282-V1304 HydrophobicContact CD1-CB 4.49Å; L1282-V1304 HydrophobicContact CD1-CG2 3.53Å; L1282-I1339 CarbonylContact O-C 3.54Å; L1282-I1339 WeakPolarHBondContact O-CA 3.35Å; L1282-Y1340 HydrophobicContact CD2-CD2 3.85Å; L1282-Y1340 HydrophobicContact CD2-CG 4.27Å; L1282-Y1340 HydrophobicContact CG-CD2 4.17Å; L1282-Y1340 PolarHBondContact N-O 2.82Å; L1282-Y1340 PolarHBondContact O-N 3.03Å |
| 1283 | F | 92.7 | Very high | 83.1 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125 | 165 | -79.2 | -107.9 | 0 | 0 | 0 | 108.5 | I1281 Y1286 I1301 S1302 F1303 V1324 A1327 L1328 I1339 | I1281-F1283 HydrophobicContact CG2-CD2 3.96Å; I1281-F1283 HydrophobicContact CG2-CE2 3.73Å; F1283-Y1286 HydrophobicContact CD1-CD1 4.3Å; F1283-Y1286 HydrophobicContact CD1-CG 4.06Å; F1283-Y1286 HydrophobicContact CE1-CD1 4.35Å; F1283-Y1286 HydrophobicContact CE1-CG 4.43Å; F1283-I1301 HydrophobicContact CB-CG2 4.44Å; F1283-I1301 HydrophobicContact CD1-CG2 4.28Å; F1283-S1302 VanDerWaalsContact O-CA 3.3Å; F1283-S1302 WeakPolarHBondContact O-CA 3.24Å; F1283-F1303 HydrophobicContact CB-CD1 4.09Å; F1283-F1303 HydrophobicContact CB-CE1 4.03Å; F1283-F1303 HydrophobicContact CB-CG 4.48Å; F1283-F1303 HydrophobicContact CB-CZ 4.34Å; F1283-F1303 HydrophobicContact CD1-CE1 4.24Å; F1283-F1303 HydrophobicContact CD1-CZ 4.37Å; F1283-F1303 HydrophobicContact CD2-CD1 4.49Å; F1283-F1303 HydrophobicContact CD2-CD2 4.32Å; F1283-F1303 AromaticContact CD2-CE1 3.8Å; F1283-F1303 HydrophobicContact CD2-CE1 3.8Å; F1283-F1303 AromaticContact CD2-CE2 3.57Å; F1283-F1303 HydrophobicContact CD2-CE2 3.57Å; F1283-F1303 AromaticContact CD2-CZ 3.27Å; F1283-F1303 HydrophobicContact CD2-CZ 3.27Å; F1283-F1303 HydrophobicContact CE2-CE1 4.31Å; F1283-F1303 AromaticContact CE2-CE2 3.97Å; F1283-F1303 HydrophobicContact CE2-CE2 3.97Å; F1283-F1303 AromaticContact CE2-CZ 3.51Å; F1283-F1303 HydrophobicContact CE2-CZ 3.51Å; F1283-F1303 HydrophobicContact CG-CD1 4.33Å; F1283-F1303 AromaticContact CG-CE1 3.76Å; F1283-F1303 HydrophobicContact CG-CE1 3.76Å; F1283-F1303 HydrophobicContact CG-CE2 4.31Å; F1283-F1303 AromaticContact CG-CZ 3.75Å; F1283-F1303 HydrophobicContact CG-CZ 3.75Å; F1283-F1303 HydrophobicContact CZ-CZ 4.17Å; F1283-F1303 PolarHBondContact N-O 3.31Å; F1283-F1303 PolarHBondContact O-N 2.88Å; F1283-F1303 VanDerWaalsContact O-N 3.13Å; F1283-V1324 HydrophobicContact CE1-CG1 4.26Å; F1283-V1324 HydrophobicContact CZ-CG1 3.9Å; F1283-A1327 HydrophobicContact CE1-CB 4.42Å; F1283-L1328 HydrophobicContact CE2-CD1 4.27Å; F1283-L1328 HydrophobicContact CZ-CD1 4.4Å; F1283-I1339 HydrophobicContact CD1-CD1 3.97Å; F1283-I1339 HydrophobicContact CD1-CG1 3.77Å; F1283-I1339 HydrophobicContact CD2-CG2 4.46Å; F1283-I1339 HydrophobicContact CE1-CD1 3.36Å; F1283-I1339 HydrophobicContact CE1-CG1 3.7Å; F1283-I1339 HydrophobicContact CE2-CD1 4.47Å; F1283-I1339 HydrophobicContact CE2-CG2 4.27Å; F1283-I1339 HydrophobicContact CG-CG1 4.24Å; F1283-I1339 HydrophobicContact CZ-CD1 3.66Å; F1283-I1339 HydrophobicContact CZ-CG1 4.12Å; F1283-I1339 HydrophobicContact CZ-CG2 4.45Å |
| 1284 | D | 92 | Very high | 83 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 107.9 | 179.2 | 179.8 | 26.7 | 0 | 0 | 0 | 110.1 | Y1286 G1337 A1338 Y1340 | D1284-Y1286 PolarHBondContact O-N 3.3Å; D1284-G1337 CarbonylContact O-C 3.59Å; D1284-G1337 WeakPolarHBondContact O-CA 3.4Å; D1284-A1338 PolarHBondContact N-O 3.47Å; D1284-A1338 PolarHBondContact O-N 3.34Å; D1284-Y1340 HydrophobicContact CB-CE2 4.41Å |
| 1285 | K | 90.7 | Very high | 83.1 | Confident | 126 Ų | 126 | 59 Ų | 59 | 55% | 0.548 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.2 | 39 | 178.8 | -60.9 | -175.5 | 178 | 179 | 0 | 113.8 | S1287 D1300 I1301 S1302 G1337 | K1285-S1287 PolarHBondContact O-N 3.39Å; K1285-D1300 WeakPolarHBondContact CA-OD1 3.37Å; K1285-D1300 VanDerWaalsContact CB-OD1 3.31Å; K1285-D1300 WeakPolarHBondContact CB-OD1 3.34Å; K1285-D1300 WeakPolarHBondContact CG-OD1 3.36Å; K1285-I1301 PolarHBondContact N-O 3.13Å; K1285-S1302 WeakPolarHBondContact CA-OG 3.19Å; K1285-S1302 PolarHBondContact N-OG 3.35Å; K1285-G1337 WeakPolarHBondContact O-CA 3.33Å |
| 1286 | Y | 91.7 | Very high | 83.2 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 123.1 | -169.2 | -172.8 | -90.3 | 0 | 0 | 0 | 110.9 | F1283 D1284 T1288 L1298 D1300 I1301 A1327 I1332 P1334 I1339 | F1283-Y1286 HydrophobicContact CD1-CD1 4.3Å; F1283-Y1286 HydrophobicContact CD1-CG 4.06Å; F1283-Y1286 HydrophobicContact CE1-CD1 4.35Å; F1283-Y1286 HydrophobicContact CE1-CG 4.43Å; D1284-Y1286 PolarHBondContact O-N 3.3Å; Y1286-T1288 HydrophobicContact CE1-CG2 3.69Å; Y1286-L1298 HydrophobicContact CD1-CD1 4.16Å; Y1286-L1298 HydrophobicContact CE1-CD1 4.17Å; Y1286-D1300 PolarHBondContact O-N 3.49Å; Y1286-I1301 PolarHBondContact N-O 3.27Å; Y1286-I1301 PolarHBondContact O-N 3.29Å; Y1286-A1327 HydrophobicContact CD1-CB 4.35Å; Y1286-A1327 HydrophobicContact CE1-CB 3.41Å; Y1286-A1327 VanDerWaalsContact CE1-CB 3.41Å; Y1286-A1327 WeakPolarHBondContact OH-CB 3.44Å; Y1286-I1332 PolarHBondContact OH-O 3.39Å; Y1286-I1332 VanDerWaalsContact OH-O 3.1Å; Y1286-P1334 HydrophobicContact CD2-CB 4.21Å; Y1286-P1334 HydrophobicContact CE2-CB 3.61Å; Y1286-P1334 HydrophobicContact CE2-CG 4.32Å; Y1286-I1339 HydrophobicContact CD2-CD1 3.88Å; Y1286-I1339 HydrophobicContact CD2-CG1 3.55Å; Y1286-I1339 HydrophobicContact CE1-CD1 4.49Å; Y1286-I1339 HydrophobicContact CE2-CD1 3.56Å; Y1286-I1339 HydrophobicContact CE2-CG1 3.69Å; Y1286-I1339 HydrophobicContact CG-CD1 4.43Å; Y1286-I1339 HydrophobicContact CG-CG1 4.21Å |
| 1287 | S | 91.8 | Very high | 83.4 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.3 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | K1285 L1298 D1300 V1335 E1336 | K1285-S1287 PolarHBondContact O-N 3.39Å; S1287-L1298 VanDerWaalsContact CA-O 3.27Å; S1287-L1298 WeakPolarHBondContact CA-O 3.39Å; S1287-D1300 PolarHBondContact OG-N 3.17Å; S1287-V1335 PolarHBondContact O-N 3.31Å; S1287-E1336 PolarHBondContact N-O 3.44Å; S1287-E1336 PolarHBondContact O-N 2.99Å |
| 1288 | T | 88 | Confident | 83.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 163.9 | -178.4 | -164.2 | 0 | 0 | 0 | 0 | 113.4 | Y1286 L1296 A1297 L1298 I1332 E1333 | Y1286-T1288 HydrophobicContact CE1-CG2 3.69Å; T1288-L1296 CarbonylContact O-C 3.41Å; T1288-L1296 WeakPolarHBondContact O-CA 3.19Å; T1288-A1297 PolarHBondContact O-N 3.2Å; T1288-L1298 HydrophobicContact CG2-CB 4.14Å; T1288-L1298 HydrophobicContact CG2-CD1 4.1Å; T1288-L1298 HydrophobicContact CG2-CG 4.2Å; T1288-L1298 PolarHBondContact N-O 3.19Å; T1288-L1298 VanDerWaalsContact N-O 3.08Å; T1288-L1298 PolarHBondContact O-N 3.09Å; T1288-I1332 HydrophobicContact CG2-CB 4.41Å; T1288-I1332 HydrophobicContact CG2-CG2 4.08Å; T1288-I1332 WeakPolarHBondContact OG1-CG2 3.32Å; T1288-E1333 PolarHBondContact OG1-O 2.93Å |
| 1289 | R | 83.7 | Confident | 84.2 | Confident | 88 Ų | 88 | 55.1 Ų | 55.1 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | trans | -143 | 146.4 | 175.2 | 68.7 | -174.7 | 78.3 | -171.6 | 7.7 | 110.7 | R1291 L1296 I1332 V1335 | R1289-R1291 WeakPolarHBondContact CD-O 3.08Å; R1289-R1291 PolarHBondContact O-N 3.15Å; R1289-L1296 HydrophobicContact CB-CD2 4.34Å; R1289-I1332 WeakPolarHBondContact O-CG2 3.47Å; R1289-V1335 HydrophobicContact CG-CG2 3.97Å | ||
| 1290 | Y | 69.8 | Low | 84.5 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -63.7 | -39.8 | 180 | -74.1 | -83.6 | 0 | 0 | 0 | 113.7 | A1297 S1323 L1326 I1332 | Y1290-A1297 HydrophobicContact CD2-CB 3.89Å; Y1290-A1297 HydrophobicContact CE2-CB 3.71Å; Y1290-S1323 PolarHBondContact OH-OG 3.35Å; Y1290-L1326 HydrophobicContact CE1-CD1 3.89Å; Y1290-I1332 HydrophobicContact CD1-CD1 3.72Å; Y1290-I1332 HydrophobicContact CD1-CG1 4.41Å; Y1290-I1332 HydrophobicContact CE1-CD1 3.43Å; Y1290-I1332 VanDerWaalsContact CE1-CD1 3.43Å; Y1290-I1332 HydrophobicContact CE1-CG1 4.41Å; Y1290-I1332 HydrophobicContact CE2-CD1 4.47Å; Y1290-I1332 HydrophobicContact CG-CD1 4.35Å |
| 1291 | R | 70.3 | Confident | 84.4 | Confident | 84 Ų | 84 | 55 Ų | 55 | 32% | 0.317 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -146.3 | 148.3 | -178.5 | -167 | 178.4 | -177.1 | -165.5 | 0.9 | 111.3 | E933 R1289 G1293 L1294 | E933-R1291 IonicContact OE1-CZ 3.81Å; E933-R1291 IonicContact OE1-NH1 3.36Å; E933-R1291 PolarHBondContact OE1-NH1 3.41Å; E933-R1291 VanDerWaalsContact OE1-NH1 3.11Å; E933-R1291 IonicContact OE1-NH2 3.64Å; E933-R1291 PolarHBondContact OE1-NH2 2.89Å; R1289-R1291 WeakPolarHBondContact CD-O 3.08Å; R1289-R1291 PolarHBondContact O-N 3.15Å; R1291-G1293 PolarHBondContact O-N 2.93Å; R1291-L1294 HydrophobicContact CB-CD1 3.99Å; R1291-L1294 HydrophobicContact CB-CG 4.44Å; R1291-L1294 PolarHBondContact O-N 3.07Å |
| 1292 | P | 69.3 | Low | 84.4 | Confident | 113 Ų | 113 | 57.6 Ų | 57.6 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 129.7 | 165.7 | -23.7 | 33.2 | 0 | 0 | 0 | 111 | ||
| 1293 | G | 70.7 | Confident | 84.4 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 81% | 0.814 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -11.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1291 | R1291-G1293 PolarHBondContact O-N 2.93Š|
| 1294 | L | 71.8 | Confident | 84.4 | Confident | 96 Ų | 96 | 57.3 Ų | 57.3 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -93.3 | 161.1 | 167.9 | -67.3 | 173.9 | 0 | 0 | 0 | 111.3 | R1291 | R1291-L1294 HydrophobicContact CB-CD1 3.99Å; R1291-L1294 HydrophobicContact CB-CG 4.44Å; R1291-L1294 PolarHBondContact O-N 3.07Å |
| 1295 | D | 78.7 | Confident | 84.3 | Confident | 145 Ų | 145 | 54 Ų | 54 | 78% | 0.775 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -66 | 161.2 | 172.4 | -66.9 | -22.3 | 0 | 0 | 0 | 111.8 | A1297 | D1295-A1297 PolarHBondContact O-N 3.27Š|
| 1296 | L | 84.3 | Confident | 84.3 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 28% | 0.277 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 126.7 | 175 | -68.2 | 172.6 | 0 | 0 | 0 | 110 | T1288 R1289 K1299 V1335 | T1288-L1296 CarbonylContact O-C 3.41Å; T1288-L1296 WeakPolarHBondContact O-CA 3.19Å; R1289-L1296 HydrophobicContact CB-CD2 4.34Å; L1296-K1299 HydrophobicContact CB-CD 4.47Å; L1296-K1299 HydrophobicContact CB-CG 3.7Å; L1296-K1299 HydrophobicContact CD1-CG 4.31Å; L1296-K1299 WeakPolarHBondContact O-CE 3.21Å; L1296-V1335 HydrophobicContact CD2-CB 4.35Å; L1296-V1335 HydrophobicContact CD2-CG1 4.44Å; L1296-V1335 HydrophobicContact CD2-CG2 4.17Å |
| 1297 | A | 83.2 | Confident | 84.2 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -82.5 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1288 Y1290 D1295 G1484 | T1288-A1297 PolarHBondContact O-N 3.2Å; Y1290-A1297 HydrophobicContact CD2-CB 3.89Å; Y1290-A1297 HydrophobicContact CE2-CB 3.71Å; D1295-A1297 PolarHBondContact O-N 3.27Å; A1297-G1484 VanDerWaalsContact O-CA 3.23Å; A1297-G1484 WeakPolarHBondContact O-CA 3.07Å |
| 1298 | L | 89.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.1 | 169.1 | -61.9 | 177.8 | 0 | 0 | 0 | 108.5 | Y1286 S1287 T1288 I1301 V1324 A1327 G1484 | Y1286-L1298 HydrophobicContact CD1-CD1 4.16Å; Y1286-L1298 HydrophobicContact CE1-CD1 4.17Å; S1287-L1298 VanDerWaalsContact CA-O 3.27Å; S1287-L1298 WeakPolarHBondContact CA-O 3.39Å; T1288-L1298 HydrophobicContact CG2-CB 4.14Å; T1288-L1298 HydrophobicContact CG2-CD1 4.1Å; T1288-L1298 HydrophobicContact CG2-CG 4.2Å; T1288-L1298 PolarHBondContact N-O 3.19Å; T1288-L1298 VanDerWaalsContact N-O 3.08Å; T1288-L1298 PolarHBondContact O-N 3.09Å; L1298-I1301 HydrophobicContact CB-CG1 3.88Å; L1298-I1301 HydrophobicContact CD2-CD1 4.44Å; L1298-I1301 HydrophobicContact CD2-CG1 4.14Å; L1298-I1301 HydrophobicContact CG-CG1 4.41Å; L1298-V1324 HydrophobicContact CD1-CB 4.5Å; L1298-V1324 HydrophobicContact CD1-CG2 3.83Å; L1298-V1324 HydrophobicContact CD2-CG2 3.84Å; L1298-A1327 HydrophobicContact CD1-CB 4.36Å; L1298-G1484 WeakPolarHBondContact CA-O 3.19Å |
| 1299 | K | 90.8 | Very high | 84 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 113 | -173.1 | -61.3 | 170 | -170.7 | 162.7 | 0 | 108.4 | L1296 I1301 N1483 G1484 Y1485 | L1296-K1299 HydrophobicContact CB-CD 4.47Å; L1296-K1299 HydrophobicContact CB-CG 3.7Å; L1296-K1299 HydrophobicContact CD1-CG 4.31Å; L1296-K1299 WeakPolarHBondContact O-CE 3.21Å; K1299-I1301 VanDerWaalsContact C-N 3.32Å; K1299-I1301 PolarHBondContact O-N 3.27Å; K1299-N1483 PolarHBondContact NZ-O 2.99Å; K1299-G1484 PolarHBondContact N-O 3.26Å; K1299-Y1485 HydrophobicContact CB-CD1 3.89Å; K1299-Y1485 HydrophobicContact CB-CE1 3.47Å; K1299-Y1485 VanDerWaalsContact CB-CE1 3.47Å; K1299-Y1485 HydrophobicContact CB-CE2 4.14Å; K1299-Y1485 HydrophobicContact CB-CG 4.39Å; K1299-Y1485 HydrophobicContact CD-CD2 4.25Å; K1299-Y1485 HydrophobicContact CD-CE1 4.28Å; K1299-Y1485 HydrophobicContact CD-CE2 3.49Å; K1299-Y1485 VanDerWaalsContact CD-CE2 3.49Å; K1299-Y1485 WeakPolarHBondContact CD-OH 3.45Å; K1299-Y1485 HydrophobicContact CG-CE2 4.47Å; K1299-Y1485 VanDerWaalsContact O-CD1 3.27Å; K1299-Y1485 WeakPolarHBondContact O-CD1 3.34Å |
| 1300 | D | 89.9 | Confident | 84.3 | Confident | 96 Ų | 96 | 60.8 Ų | 60.8 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.7 | 43.5 | 174.1 | -159.7 | 21.1 | 0 | 0 | 0 | 114.4 | K1285 Y1286 S1287 S1302 | K1285-D1300 WeakPolarHBondContact CA-OD1 3.37Å; K1285-D1300 VanDerWaalsContact CB-OD1 3.31Å; K1285-D1300 WeakPolarHBondContact CB-OD1 3.34Å; K1285-D1300 WeakPolarHBondContact CG-OD1 3.36Å; Y1286-D1300 PolarHBondContact O-N 3.49Å; S1287-D1300 PolarHBondContact OG-N 3.17Å; D1300-S1302 PolarHBondContact O-N 3.3Å |
| 1301 | I | 89.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 120.8 | -179.1 | -62.1 | -68.1 | 0 | 0 | 0 | 110.1 | F1283 K1285 Y1286 L1298 K1299 F1303 L1481 G1484 L1486 | F1283-I1301 HydrophobicContact CB-CG2 4.44Å; F1283-I1301 HydrophobicContact CD1-CG2 4.28Å; K1285-I1301 PolarHBondContact N-O 3.13Å; Y1286-I1301 PolarHBondContact N-O 3.27Å; Y1286-I1301 PolarHBondContact O-N 3.29Å; L1298-I1301 HydrophobicContact CB-CG1 3.88Å; L1298-I1301 HydrophobicContact CD2-CD1 4.44Å; L1298-I1301 HydrophobicContact CD2-CG1 4.14Å; L1298-I1301 HydrophobicContact CG-CG1 4.41Å; K1299-I1301 VanDerWaalsContact C-N 3.32Å; K1299-I1301 PolarHBondContact O-N 3.27Å; I1301-F1303 HydrophobicContact CG2-CD1 3.6Å; I1301-F1303 HydrophobicContact CG2-CE1 3.43Å; I1301-F1303 VanDerWaalsContact CG2-CE1 3.43Å; I1301-L1481 HydrophobicContact CD1-CD2 3.67Å; I1301-G1484 WeakPolarHBondContact CD1-O 3.29Å; I1301-L1486 HydrophobicContact CD1-CB 3.97Å |
| 1302 | S | 91.3 | Very high | 86.1 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 38% | 0.378 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 119.4 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | F1283 K1285 D1300 | F1283-S1302 VanDerWaalsContact O-CA 3.3Å; F1283-S1302 WeakPolarHBondContact O-CA 3.24Å; K1285-S1302 WeakPolarHBondContact CA-OG 3.19Å; K1285-S1302 PolarHBondContact N-OG 3.35Å; D1300-S1302 PolarHBondContact O-N 3.3Å |
| 1303 | F | 92.2 | Very high | 87.1 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 161.2 | 174 | 63.2 | -93.2 | 0 | 0 | 0 | 111.5 | F1283 I1301 I1305 V1324 L1479 L1486 | F1283-F1303 HydrophobicContact CB-CD1 4.09Å; F1283-F1303 HydrophobicContact CB-CE1 4.03Å; F1283-F1303 HydrophobicContact CB-CG 4.48Å; F1283-F1303 HydrophobicContact CB-CZ 4.34Å; F1283-F1303 HydrophobicContact CD1-CE1 4.24Å; F1283-F1303 HydrophobicContact CD1-CZ 4.37Å; F1283-F1303 HydrophobicContact CD2-CD1 4.49Å; F1283-F1303 HydrophobicContact CD2-CD2 4.32Å; F1283-F1303 AromaticContact CD2-CE1 3.8Å; F1283-F1303 HydrophobicContact CD2-CE1 3.8Å; F1283-F1303 AromaticContact CD2-CE2 3.57Å; F1283-F1303 HydrophobicContact CD2-CE2 3.57Å; F1283-F1303 AromaticContact CD2-CZ 3.27Å; F1283-F1303 HydrophobicContact CD2-CZ 3.27Å; F1283-F1303 HydrophobicContact CE2-CE1 4.31Å; F1283-F1303 AromaticContact CE2-CE2 3.97Å; F1283-F1303 HydrophobicContact CE2-CE2 3.97Å; F1283-F1303 AromaticContact CE2-CZ 3.51Å; F1283-F1303 HydrophobicContact CE2-CZ 3.51Å; F1283-F1303 HydrophobicContact CG-CD1 4.33Å; F1283-F1303 AromaticContact CG-CE1 3.76Å; F1283-F1303 HydrophobicContact CG-CE1 3.76Å; F1283-F1303 HydrophobicContact CG-CE2 4.31Å; F1283-F1303 AromaticContact CG-CZ 3.75Å; F1283-F1303 HydrophobicContact CG-CZ 3.75Å; F1283-F1303 HydrophobicContact CZ-CZ 4.17Å; F1283-F1303 PolarHBondContact N-O 3.31Å; F1283-F1303 PolarHBondContact O-N 2.88Å; F1283-F1303 VanDerWaalsContact O-N 3.13Å; I1301-F1303 HydrophobicContact CG2-CD1 3.6Å; I1301-F1303 HydrophobicContact CG2-CE1 3.43Å; I1301-F1303 VanDerWaalsContact CG2-CE1 3.43Å; F1303-I1305 HydrophobicContact CD2-CD1 4.3Å; F1303-I1305 HydrophobicContact CD2-CG1 3.95Å; F1303-I1305 HydrophobicContact CE2-CD1 3.73Å; F1303-I1305 HydrophobicContact CE2-CG1 3.88Å; F1303-V1324 HydrophobicContact CZ-CG1 4.15Å; F1303-L1479 HydrophobicContact CB-CD2 4.45Å; F1303-L1479 HydrophobicContact CD1-CD1 4.35Å; F1303-L1479 HydrophobicContact CD2-CD1 3.81Å; F1303-L1479 HydrophobicContact CE1-CD1 4.3Å; F1303-L1479 HydrophobicContact CE2-CD1 3.78Å; F1303-L1479 HydrophobicContact CG-CD1 4.12Å; F1303-L1479 HydrophobicContact CG-CD2 4.47Å; F1303-L1479 HydrophobicContact CZ-CD1 4.02Å; F1303-L1486 HydrophobicContact CB-CD2 4.02Å; F1303-L1486 HydrophobicContact CD1-CD2 4.15Å; F1303-L1486 HydrophobicContact CG-CD2 4.49Å |
| 1304 | V | 92.6 | Very high | 87.9 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 26% | 0.255 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 120.5 | -179.1 | -168 | 0 | 0 | 0 | 0 | 110.1 | I1281 L1282 R1477 | I1281-V1304 CarbonylContact O-C 3.57Å; I1281-V1304 WeakPolarHBondContact O-CA 3.36Å; L1282-V1304 HydrophobicContact CD1-CB 4.49Å; L1282-V1304 HydrophobicContact CD1-CG2 3.53Å; V1304-R1477 PolarHBondContact O-NH1 3.25Å; V1304-R1477 PolarHBondContact O-NH2 3.18Å |
| 1305 | I | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.3 | 170.3 | -56.5 | 175.2 | 0 | 0 | 0 | 109.1 | R1280 I1281 F1303 E1309 A1311 T1461 L1463 R1477 | R1280-I1305 WeakPolarHBondContact CA-O 3.43Å; R1280-I1305 WeakPolarHBondContact CG-O 3.42Å; I1281-I1305 HydrophobicContact CB-CB 4.25Å; I1281-I1305 PolarHBondContact N-O 3.48Å; I1281-I1305 PolarHBondContact O-N 3.12Å; F1303-I1305 HydrophobicContact CD2-CD1 4.3Å; F1303-I1305 HydrophobicContact CD2-CG1 3.95Å; F1303-I1305 HydrophobicContact CE2-CD1 3.73Å; F1303-I1305 HydrophobicContact CE2-CG1 3.88Å; I1305-E1309 WeakPolarHBondContact CA-OE2 3.35Å; I1305-E1309 HydrophobicContact CG2-CB 3.97Å; I1305-A1311 HydrophobicContact CD1-CB 4.05Å; I1305-A1311 HydrophobicContact CG1-CB 4.36Å; I1305-T1461 HydrophobicContact CG2-CG2 3.47Å; I1305-T1461 VanDerWaalsContact CG2-CG2 3.47Å; I1305-L1463 HydrophobicContact CD1-CD1 4.18Å; I1305-L1463 HydrophobicContact CD1-CD2 3.25Å; I1305-L1463 HydrophobicContact CD1-CG 3.83Å; I1305-R1477 VanDerWaalsContact CA-NH2 3.33Å |
| 1306 | H | 90.6 | Very high | 88.2 | Confident | 107 Ų | 107 | 41.1 Ų | 41.1 | 50% | 0.495 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -78.1 | 163.9 | -179.1 | -61.7 | -74.9 | 0 | 0 | 0 | 111.5 | H1308 E1309 | H1306-H1308 PolarHBondContact O-N 3.42Å; H1306-E1309 HydrophobicContact CB-CB 4.26Å; H1306-E1309 IonicContact CD2-OE2 2.91Å; H1306-E1309 PolarHBondContact CD2-OE2 3.26Å; H1306-E1309 IonicContact CG-OE2 3.78Å; H1306-E1309 PolarHBondContact N-OE2 3.47Å; H1306-E1309 VanDerWaalsContact O-CB 3.28Å; H1306-E1309 WeakPolarHBondContact O-CB 3.49Å; H1306-E1309 PolarHBondContact O-N 3.33Å |
| 1307 | E | 88.5 | Confident | 87.4 | Confident | 99 Ų | 99 | 43.5 Ų | 43.5 | 46% | 0.463 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 132.9 | 176.1 | 56.6 | -166.5 | -178.1 | 0 | 0 | 110.7 | K1278 E1309 | K1278-E1307 HydrophobicContact CB-CB 4.2Å; K1278-E1307 WeakPolarHBondContact CD-OE2 3.48Å; E1307-E1309 PolarHBondContact O-N 2.93Å |
| 1308 | H | 86.6 | Confident | 86.7 | Confident | 83 Ų | 83 | 46 Ų | 46 | 38% | 0.384 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 10.7 | -178.6 | -47.5 | -68.3 | 0 | 0 | 0 | 115.6 | H1306 D1459 T1461 | H1306-H1308 PolarHBondContact O-N 3.42Å; H1308-D1459 PolarHBondContact CE1-O 3.3Å; H1308-D1459 VanDerWaalsContact ND1-C 3.28Å; H1308-D1459 PolarHBondContact ND1-O 2.63Å; H1308-T1461 PolarHBondContact N-OG1 3.36Å; H1308-T1461 VanDerWaalsContact N-OG1 3.13Å |
| 1309 | E | 89.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.056 | 25% | 0.25 | C | S | . | . | trans | -77.7 | 140.6 | -179.1 | -163.9 | -163.8 | 140.8 | 0 | 0 | 111.4 | I1305 H1306 E1307 T1461 V1462 E1476 R1477 | I1305-E1309 WeakPolarHBondContact CA-OE2 3.35Å; I1305-E1309 HydrophobicContact CG2-CB 3.97Å; H1306-E1309 HydrophobicContact CB-CB 4.26Å; H1306-E1309 IonicContact CD2-OE2 2.91Å; H1306-E1309 PolarHBondContact CD2-OE2 3.26Å; H1306-E1309 IonicContact CG-OE2 3.78Å; H1306-E1309 PolarHBondContact N-OE2 3.47Å; H1306-E1309 VanDerWaalsContact O-CB 3.28Å; H1306-E1309 WeakPolarHBondContact O-CB 3.49Å; H1306-E1309 PolarHBondContact O-N 3.33Å; E1307-E1309 PolarHBondContact O-N 2.93Å; E1309-T1461 WeakPolarHBondContact O-CG2 3.32Å; E1309-V1462 PolarHBondContact O-N 3.38Å; E1309-E1476 HydrophobicContact CG-CB 4.41Å; E1309-E1476 WeakPolarHBondContact CG-OE2 3.37Å; E1309-R1477 VanDerWaalsContact CD-NH2 3.27Å; E1309-R1477 WeakPolarHBondContact OE1-CB 3.37Å; E1309-R1477 IonicContact OE1-CZ 3.03Å; E1309-R1477 IonicContact OE1-NE 2.69Å; E1309-R1477 PolarHBondContact OE1-NE 2.99Å; E1309-R1477 IonicContact OE1-NH2 2.75Å; E1309-R1477 PolarHBondContact OE1-NH2 3.31Å; E1309-R1477 IonicContact OE2-CZ 3.64Å; E1309-R1477 IonicContact OE2-NH2 2.98Å; E1309-R1477 PolarHBondContact OE2-NH2 3.45Å | ||
| 1310 | K | 88.9 | Confident | 85.6 | Confident | 65 Ų | 65 | 43.7 Ų | 43.7 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 107.3 | 172 | -62.8 | 177.4 | -175.5 | 171.2 | 0 | 109.9 | V1462 S1475 E1476 R1477 | K1310-V1462 CarbonylContact C-O 3.53Å; K1310-V1462 WeakPolarHBondContact CA-O 3.48Å; K1310-V1462 HydrophobicContact CG-CB 4.27Å; K1310-V1462 HydrophobicContact CG-CG2 4.48Å; K1310-S1475 WeakPolarHBondContact O-CB 3.4Å; K1310-E1476 PolarHBondContact O-N 3.11Å; K1310-R1477 PolarHBondContact O-N 2.98Å |
| 1311 | A | 90.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1305 V1462 L1463 T1464 R1477 | I1305-A1311 HydrophobicContact CD1-CB 4.05Å; I1305-A1311 HydrophobicContact CG1-CB 4.36Å; A1311-V1462 PolarHBondContact N-O 3.05Å; A1311-L1463 HydrophobicContact CB-CD2 4.38Å; A1311-L1463 CarbonylContact O-C 3.31Å; A1311-L1463 WeakPolarHBondContact O-CA 3.36Å; A1311-T1464 PolarHBondContact O-N 3.29Å; A1311-R1477 CarbonylContact C-O 3.55Å; A1311-R1477 WeakPolarHBondContact CA-O 3.36Å |
| 1312 | G | 89 | Confident | 84.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 141.8 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1464 R1477 I1478 L1479 | G1312-T1464 CarbonylContact C-O 3.59Å; G1312-T1464 WeakPolarHBondContact CA-O 3.27Å; G1312-R1477 PolarHBondContact N-O 2.89Å; G1312-I1478 CarbonylContact O-C 3.43Å; G1312-I1478 WeakPolarHBondContact O-CA 3.32Å; G1312-L1479 PolarHBondContact O-N 2.94Å |
| 1313 | I | 88.9 | Confident | 84 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 117.3 | 172 | -60.6 | 174.5 | 0 | 0 | 0 | 108.8 | K1321 V1324 L1463 T1464 I1465 L1479 L1481 | I1313-K1321 HydrophobicContact CG2-CB 4.25Å; I1313-K1321 HydrophobicContact CG2-CG 4.23Å; I1313-V1324 HydrophobicContact CD1-CG1 4.15Å; I1313-L1463 HydrophobicContact CD1-CD2 3.79Å; I1313-L1463 HydrophobicContact CG1-CD2 4.41Å; I1313-T1464 PolarHBondContact N-O 3.3Å; I1313-I1465 HydrophobicContact CB-CG1 3.73Å; I1313-I1465 HydrophobicContact CD1-CG1 4.29Å; I1313-I1465 HydrophobicContact CG1-CG1 4.5Å; I1313-I1465 HydrophobicContact CG2-CG1 4.07Å; I1313-I1465 WeakPolarHBondContact O-CA 3.09Å; I1313-L1479 WeakPolarHBondContact CA-O 3.36Å; I1313-L1479 HydrophobicContact CG1-CB 4.19Å; I1313-L1479 HydrophobicContact CG1-CD1 4.05Å; I1313-L1481 HydrophobicContact CG2-CD1 3.53Å; I1313-L1481 HydrophobicContact CG2-CG 4.39Å |
| 1314 | V | 87.9 | Confident | 83.6 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 168.5 | -177.7 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | L1469 I1472 I1478 L1479 V1480 L1481 F1503 M1506 | V1314-L1469 HydrophobicContact CG1-CD2 4.46Å; V1314-I1472 HydrophobicContact CG1-CD1 3.36Å; V1314-I1472 HydrophobicContact CG1-CG2 4.45Å; V1314-I1478 HydrophobicContact CG1-CG2 4.45Å; V1314-I1478 HydrophobicContact CG2-CG2 3.53Å; V1314-L1479 PolarHBondContact N-O 3.48Å; V1314-V1480 HydrophobicContact CG2-CB 4.35Å; V1314-V1480 HydrophobicContact CG2-CG2 3.7Å; V1314-L1481 PolarHBondContact O-N 2.86Å; V1314-F1503 HydrophobicContact CG2-CD2 3.89Å; V1314-F1503 HydrophobicContact CG2-CE2 4.18Å; V1314-M1506 HydrophobicContact CB-CE 4.44Å; V1314-M1506 HydrophobicContact CG2-CE 3.98Å |
| 1315 | G | 81.7 | Confident | 83.1 | Confident | 12 Ų | 12 | 37.5 Ų | 37.5 | 12% | 0.124 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.2 | 168 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K1321 L1481 | G1315-K1321 PolarHBondContact O-NZ 3.48Å; G1315-L1481 WeakPolarHBondContact CA-O 3.42Å |
| 1316 | R | 75 | Confident | 82.7 | Confident | 143 Ų | 143 | 38.8 Ų | 38.8 | 54% | 0.54 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -66.1 | 162.7 | 179.9 | -68.2 | 179.3 | 170.6 | 170.3 | -0.8 | 112.5 | G1318 A1319 K1321 | R1316-G1318 PolarHBondContact O-N 2.95Å; R1316-A1319 WeakPolarHBondContact O-CB 3.18Å; R1316-A1319 PolarHBondContact O-N 3.42Å; R1316-A1319 VanDerWaalsContact O-N 3.1Å; R1316-K1321 PolarHBondContact O-NZ 3.36Å |
| 1317 | T | 67.6 | Low | 82.4 | Confident | 103 Ų | 103 | 33.7 Ų | 33.7 | 63% | 0.632 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 128.3 | 173.1 | -54.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1318 | G | 67.7 | Low | 82.3 | Confident | 74 Ų | 74 | 29.2 Ų | 29.2 | 76% | 0.763 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -0.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1316 G1320 | R1316-G1318 PolarHBondContact O-N 2.95Å; G1318-G1320 PolarHBondContact O-N 3.15Å |
| 1319 | A | 80.4 | Confident | 82.1 | Confident | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.033 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -68.4 | -12.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R1316 L1481 G1484 | R1316-A1319 WeakPolarHBondContact O-CB 3.18Å; R1316-A1319 PolarHBondContact O-N 3.42Å; R1316-A1319 VanDerWaalsContact O-N 3.1Å; A1319-L1481 HydrophobicContact CB-CB 4.28Å; A1319-L1481 WeakPolarHBondContact CB-O 3.49Å; A1319-G1484 WeakPolarHBondContact O-CA 3.17Å; A1319-G1484 PolarHBondContact O-N 3.41Å |
| 1320 | G | 77.6 | Confident | 81.9 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 6% | 0.062 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 108.7 | 6.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G1318 S1322 S1323 V1324 | G1318-G1320 PolarHBondContact O-N 3.15Å; G1320-S1322 PolarHBondContact O-N 3.36Å; G1320-S1323 WeakPolarHBondContact O-CA 3.49Å; G1320-S1323 WeakPolarHBondContact O-CB 3.31Å; G1320-S1323 PolarHBondContact O-N 2.95Å; G1320-V1324 PolarHBondContact O-N 2.95Å; G1320-V1324 VanDerWaalsContact O-N 3.1Å |
| 1321 | K | 79.5 | Confident | 81.6 | Confident | 16 Ų | 16 | 24.6 Ų | 24.6 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -51.4 | -59 | -178.4 | -54.7 | -171.9 | -63.1 | -87 | 0 | 113.4 | I1313 G1315 R1316 S1323 V1324 I1465 L1481 | I1313-K1321 HydrophobicContact CG2-CB 4.25Å; I1313-K1321 HydrophobicContact CG2-CG 4.23Å; G1315-K1321 PolarHBondContact O-NZ 3.48Å; R1316-K1321 PolarHBondContact O-NZ 3.36Å; K1321-S1323 PolarHBondContact O-N 2.9Å; K1321-V1324 WeakPolarHBondContact O-CB 3.34Å; K1321-V1324 PolarHBondContact O-N 2.9Å; K1321-V1324 VanDerWaalsContact O-N 3.11Å; K1321-I1465 HydrophobicContact CB-CD1 4.27Å; K1321-I1465 HydrophobicContact CB-CG1 4.49Å; K1321-I1465 HydrophobicContact CB-CG2 4.05Å; K1321-I1465 HydrophobicContact CD-CG2 4.1Å; K1321-I1465 WeakPolarHBondContact O-CD1 3.46Å; K1321-L1481 HydrophobicContact CB-CD1 4.5Å; K1321-L1481 HydrophobicContact CG-CD1 4.26Å |
| 1322 | S | 74.7 | Confident | 81.2 | Confident | 30 Ų | 30 | 25 Ų | 25 | 21% | 0.21 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.5 | -19.3 | 176.5 | -45.8 | 0 | 0 | 0 | 0 | 112.7 | G1320 V1324 T1325 L1326 D1435 | G1320-S1322 PolarHBondContact O-N 3.36Å; S1322-V1324 VanDerWaalsContact C-N 3.31Å; S1322-T1325 PolarHBondContact O-N 2.97Å; S1322-T1325 PolarHBondContact O-OG1 3.33Å; S1322-L1326 VanDerWaalsContact O-CG 3.28Å; S1322-L1326 WeakPolarHBondContact O-CG 3.39Å; S1322-L1326 PolarHBondContact O-N 3.39Å; S1322-L1326 VanDerWaalsContact O-N 3.12Å; S1322-D1435 PolarHBondContact OG-OD2 3.35Å |
| 1323 | S | 82.7 | Confident | 81 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.2 | -33.9 | 172.9 | -46.9 | 0 | 0 | 0 | 0 | 111.1 | Y1290 G1320 K1321 A1327 | Y1290-S1323 PolarHBondContact OH-OG 3.35Å; G1320-S1323 WeakPolarHBondContact O-CA 3.49Å; G1320-S1323 WeakPolarHBondContact O-CB 3.31Å; G1320-S1323 PolarHBondContact O-N 2.95Å; K1321-S1323 PolarHBondContact O-N 2.9Å; S1323-A1327 VanDerWaalsContact O-CB 3.27Å; S1323-A1327 WeakPolarHBondContact O-CB 3.4Å; S1323-A1327 PolarHBondContact O-N 2.84Å |
| 1324 | V | 85.5 | Confident | 80.9 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | F1283 L1298 F1303 I1313 G1320 K1321 S1322 A1327 L1328 L1481 | F1283-V1324 HydrophobicContact CE1-CG1 4.26Å; F1283-V1324 HydrophobicContact CZ-CG1 3.9Å; L1298-V1324 HydrophobicContact CD1-CB 4.5Å; L1298-V1324 HydrophobicContact CD1-CG2 3.83Å; L1298-V1324 HydrophobicContact CD2-CG2 3.84Å; F1303-V1324 HydrophobicContact CZ-CG1 4.15Å; I1313-V1324 HydrophobicContact CD1-CG1 4.15Å; G1320-V1324 PolarHBondContact O-N 2.95Å; G1320-V1324 VanDerWaalsContact O-N 3.1Å; K1321-V1324 WeakPolarHBondContact O-CB 3.34Å; K1321-V1324 PolarHBondContact O-N 2.9Å; K1321-V1324 VanDerWaalsContact O-N 3.11Å; S1322-V1324 VanDerWaalsContact C-N 3.31Å; V1324-A1327 WeakPolarHBondContact O-CB 3.43Å; V1324-A1327 PolarHBondContact O-N 3.36Å; V1324-L1328 PolarHBondContact O-N 2.97Å; V1324-L1481 HydrophobicContact CG2-CD1 3.74Å |
| 1325 | T | 81.6 | Confident | 80.9 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -50 | 176.7 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | S1322 A1327 L1328 F1329 V1433 I1465 | S1322-T1325 PolarHBondContact O-N 2.97Å; S1322-T1325 PolarHBondContact O-OG1 3.33Å; T1325-A1327 PolarHBondContact O-N 2.91Å; T1325-L1328 WeakPolarHBondContact O-CB 3.3Å; T1325-L1328 PolarHBondContact O-N 3.43Å; T1325-F1329 WeakPolarHBondContact O-CD2 3.28Å; T1325-F1329 PolarHBondContact O-N 2.99Å; T1325-V1433 HydrophobicContact CG2-CG1 3.52Å; T1325-I1465 HydrophobicContact CG2-CD1 3.31Å |
| 1326 | L | 81.7 | Confident | 81.2 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -31.3 | 178.6 | -65.5 | 174.2 | 0 | 0 | 0 | 113.1 | Y1290 S1322 R1330 I1331 I1332 | Y1290-L1326 HydrophobicContact CE1-CD1 3.89Å; S1322-L1326 VanDerWaalsContact O-CG 3.28Å; S1322-L1326 WeakPolarHBondContact O-CG 3.39Å; S1322-L1326 PolarHBondContact O-N 3.39Å; S1322-L1326 VanDerWaalsContact O-N 3.12Å; L1326-R1330 PolarHBondContact O-N 3.24Å; L1326-I1331 HydrophobicContact CB-CB 4.45Å; L1326-I1331 HydrophobicContact CD2-CB 4.39Å; L1326-I1331 HydrophobicContact CD2-CD1 3.9Å; L1326-I1331 HydrophobicContact CD2-CG2 4.35Å; L1326-I1331 PolarHBondContact O-N 3.38Å; L1326-I1332 HydrophobicContact CB-CD1 3.75Å; L1326-I1332 HydrophobicContact CB-CG1 3.86Å; L1326-I1332 HydrophobicContact CD1-CD1 4.06Å |
| 1327 | A | 85.9 | Confident | 81.9 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.2 | -43.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1283 Y1286 L1298 S1323 V1324 T1325 F1329 R1330 I1339 | F1283-A1327 HydrophobicContact CE1-CB 4.42Å; Y1286-A1327 HydrophobicContact CD1-CB 4.35Å; Y1286-A1327 HydrophobicContact CE1-CB 3.41Å; Y1286-A1327 VanDerWaalsContact CE1-CB 3.41Å; Y1286-A1327 WeakPolarHBondContact OH-CB 3.44Å; L1298-A1327 HydrophobicContact CD1-CB 4.36Å; S1323-A1327 VanDerWaalsContact O-CB 3.27Å; S1323-A1327 WeakPolarHBondContact O-CB 3.4Å; S1323-A1327 PolarHBondContact O-N 2.84Å; V1324-A1327 WeakPolarHBondContact O-CB 3.43Å; V1324-A1327 PolarHBondContact O-N 3.36Å; T1325-A1327 PolarHBondContact O-N 2.91Å; A1327-F1329 VanDerWaalsContact C-N 3.29Å; A1327-F1329 PolarHBondContact O-N 3.22Å; A1327-R1330 WeakPolarHBondContact O-CA 3.48Å; A1327-R1330 PolarHBondContact O-N 3.22Å; A1327-I1339 HydrophobicContact CB-CD1 4.14Å; A1327-I1339 WeakPolarHBondContact O-CD1 3.18Å |
| 1328 | L | 85.5 | Confident | 83 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -38.5 | 177 | -171.4 | 69.3 | 0 | 0 | 0 | 112.2 | I1281 F1283 V1324 T1325 R1330 I1339 I1341 V1433 L1463 | I1281-L1328 HydrophobicContact CD1-CD1 4.29Å; I1281-L1328 HydrophobicContact CD1-CD2 4.37Å; I1281-L1328 HydrophobicContact CG2-CD1 3.83Å; F1283-L1328 HydrophobicContact CE2-CD1 4.27Å; F1283-L1328 HydrophobicContact CZ-CD1 4.4Å; V1324-L1328 PolarHBondContact O-N 2.97Å; T1325-L1328 WeakPolarHBondContact O-CB 3.3Å; T1325-L1328 PolarHBondContact O-N 3.43Å; L1328-R1330 PolarHBondContact O-N 3.31Å; L1328-I1339 HydrophobicContact CD1-CG2 4.2Å; L1328-I1341 HydrophobicContact CD1-CD1 4.12Å; L1328-V1433 HydrophobicContact CD2-CG2 3.83Å; L1328-L1463 HydrophobicContact CD2-CD1 3.93Å |
| 1329 | F | 81.8 | Confident | 84.1 | Confident | 15 Ų | 15 | 26.3 Ų | 26.3 | 7% | 0.066 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 0.7 | 175.2 | -69.1 | -81.7 | 0 | 0 | 0 | 114.5 | L522 T1325 A1327 I1331 R1355 I1358 | L522-F1329 HydrophobicContact CB-CD1 4.46Å; L522-F1329 HydrophobicContact CB-CE1 4.38Å; L522-F1329 HydrophobicContact CD2-CB 3.57Å; L522-F1329 HydrophobicContact CD2-CD1 3.42Å; L522-F1329 VanDerWaalsContact CD2-CD1 3.42Å; L522-F1329 HydrophobicContact CD2-CD2 3.34Å; L522-F1329 HydrophobicContact CD2-CE1 3.75Å; L522-F1329 HydrophobicContact CD2-CE2 3.79Å; L522-F1329 HydrophobicContact CD2-CG 3.17Å; L522-F1329 HydrophobicContact CD2-CZ 3.96Å; T1325-F1329 WeakPolarHBondContact O-CD2 3.28Å; T1325-F1329 PolarHBondContact O-N 2.99Å; A1327-F1329 VanDerWaalsContact C-N 3.29Å; A1327-F1329 PolarHBondContact O-N 3.22Å; F1329-I1331 HydrophobicContact CB-CD1 4.22Å; F1329-I1331 HydrophobicContact CB-CG1 4.02Å; F1329-I1331 PolarHBondContact O-N 3.39Å; F1329-R1355 PolarHBondContact O-NE 2.99Å; F1329-R1355 PolarHBondContact O-NH2 2.89Å; F1329-I1358 HydrophobicContact CD1-CD1 3.99Å; F1329-I1358 HydrophobicContact CE1-CB 3.55Å; F1329-I1358 HydrophobicContact CE1-CD1 3.54Å; F1329-I1358 HydrophobicContact CE1-CG1 4.12Å; F1329-I1358 HydrophobicContact CE1-CG2 3.33Å; F1329-I1358 HydrophobicContact CZ-CB 4.13Å; F1329-I1358 HydrophobicContact CZ-CD1 4.09Å; F1329-I1358 HydrophobicContact CZ-CG2 3.36Å |
| 1330 | R | 86.3 | Confident | 84.6 | Confident | 28 Ų | 28 | 29.3 Ų | 29.3 | 11% | 0.106 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 40.9 | -175.7 | -162.5 | 176.7 | 158.7 | -165.6 | -1.7 | 111.9 | L1326 A1327 L1328 E1333 T1346 S1347 L1349 L1351 L1354 R1355 | L1326-R1330 PolarHBondContact O-N 3.24Å; A1327-R1330 WeakPolarHBondContact O-CA 3.48Å; A1327-R1330 PolarHBondContact O-N 3.22Å; L1328-R1330 PolarHBondContact O-N 3.31Å; R1330-E1333 WeakPolarHBondContact CG-OE2 3.41Å; R1330-E1333 IonicContact CZ-OE1 2.91Å; R1330-E1333 IonicContact CZ-OE2 2.92Å; R1330-E1333 IonicContact NE-OE1 3.39Å; R1330-E1333 PolarHBondContact NE-OE1 3.07Å; R1330-E1333 IonicContact NE-OE2 3.88Å; R1330-E1333 PolarHBondContact NE-OE2 3.2Å; R1330-E1333 IonicContact NH2-OE1 3.26Å; R1330-E1333 IonicContact NH2-OE2 2.84Å; R1330-T1346 PolarHBondContact NH1-O 3.07Å; R1330-S1347 VanDerWaalsContact CZ-O 3.32Å; R1330-S1347 VanDerWaalsContact NH1-C 3.26Å; R1330-S1347 PolarHBondContact NH1-O 3.36Å; R1330-S1347 PolarHBondContact NH2-O 3.04Å; R1330-S1347 VanDerWaalsContact NH2-O 3.14Å; R1330-L1349 PolarHBondContact NH1-O 2.93Å; R1330-L1351 HydrophobicContact CB-CD2 4.3Å; R1330-L1351 HydrophobicContact CG-CD2 4.23Å; R1330-L1354 HydrophobicContact CB-CD2 3.86Å; R1330-R1355 PolarHBondContact O-NH2 3.42Å |
| 1331 | I | 81.9 | Confident | 85.1 | Confident | 20 Ų | 20 | 29.2 Ų | 29.2 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -82 | -37.3 | 170.5 | -68.9 | -176.9 | 0 | 0 | 0 | 109.6 | L522 M1048 L1326 F1329 | L522-I1331 HydrophobicContact CD2-CD1 3.36Å; L522-I1331 HydrophobicContact CD2-CG1 4.4Å; L522-I1331 HydrophobicContact CG-CD1 3.86Å; M1048-I1331 HydrophobicContact CB-CG2 3.89Å; M1048-I1331 HydrophobicContact CG-CG2 4.2Å; L1326-I1331 HydrophobicContact CB-CB 4.45Å; L1326-I1331 HydrophobicContact CD2-CB 4.39Å; L1326-I1331 HydrophobicContact CD2-CD1 3.9Å; L1326-I1331 HydrophobicContact CD2-CG2 4.35Å; L1326-I1331 PolarHBondContact O-N 3.38Å; F1329-I1331 HydrophobicContact CB-CD1 4.22Å; F1329-I1331 HydrophobicContact CB-CG1 4.02Å; F1329-I1331 PolarHBondContact O-N 3.39Å |
| 1332 | I | 81.4 | Confident | 85.5 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 5% | 0.046 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -103.4 | 118.6 | 168.9 | -38.3 | 175.7 | 0 | 0 | 0 | 106.3 | Y1286 T1288 R1289 Y1290 L1326 | Y1286-I1332 PolarHBondContact OH-O 3.39Å; Y1286-I1332 VanDerWaalsContact OH-O 3.1Å; T1288-I1332 HydrophobicContact CG2-CB 4.41Å; T1288-I1332 HydrophobicContact CG2-CG2 4.08Å; T1288-I1332 WeakPolarHBondContact OG1-CG2 3.32Å; R1289-I1332 WeakPolarHBondContact O-CG2 3.47Å; Y1290-I1332 HydrophobicContact CD1-CD1 3.72Å; Y1290-I1332 HydrophobicContact CD1-CG1 4.41Å; Y1290-I1332 HydrophobicContact CE1-CD1 3.43Å; Y1290-I1332 VanDerWaalsContact CE1-CD1 3.43Å; Y1290-I1332 HydrophobicContact CE1-CG1 4.41Å; Y1290-I1332 HydrophobicContact CE2-CD1 4.47Å; Y1290-I1332 HydrophobicContact CG-CD1 4.35Å; L1326-I1332 HydrophobicContact CB-CD1 3.75Å; L1326-I1332 HydrophobicContact CB-CG1 3.86Å; L1326-I1332 HydrophobicContact CD1-CD1 4.06Å |
| 1333 | E | 85.1 | Confident | 85.9 | Confident | 72 Ų | 72 | 35.5 Ų | 35.5 | 34% | 0.336 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -75.6 | 148.3 | -179.7 | -70.1 | -75.4 | -174.9 | 0 | 0 | 110.3 | T1288 R1330 | T1288-E1333 PolarHBondContact OG1-O 2.93Å; R1330-E1333 WeakPolarHBondContact CG-OE2 3.41Å; R1330-E1333 IonicContact CZ-OE1 2.91Å; R1330-E1333 IonicContact CZ-OE2 2.92Å; R1330-E1333 IonicContact NE-OE1 3.39Å; R1330-E1333 PolarHBondContact NE-OE1 3.07Å; R1330-E1333 IonicContact NE-OE2 3.88Å; R1330-E1333 PolarHBondContact NE-OE2 3.2Å; R1330-E1333 IonicContact NH2-OE1 3.26Å; R1330-E1333 IonicContact NH2-OE2 2.84Å |
| 1334 | P | 87.7 | Confident | 86.1 | Confident | 49 Ų | 49 | 36.5 Ų | 36.5 | 32% | 0.318 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 139.5 | 175.8 | 23.3 | -29.8 | 0 | 0 | 0 | 111.2 | Y1286 | Y1286-P1334 HydrophobicContact CD2-CB 4.21Å; Y1286-P1334 HydrophobicContact CE2-CB 3.61Å; Y1286-P1334 HydrophobicContact CE2-CG 4.32Å |
| 1335 | V | 87.8 | Confident | 86.2 | Confident | 64 Ų | 64 | 39.8 Ų | 39.8 | 39% | 0.388 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -44.9 | 163.6 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | S1287 R1289 L1296 | S1287-V1335 PolarHBondContact O-N 3.31Å; R1289-V1335 HydrophobicContact CG-CG2 3.97Å; L1296-V1335 HydrophobicContact CD2-CB 4.35Å; L1296-V1335 HydrophobicContact CD2-CG1 4.44Å; L1296-V1335 HydrophobicContact CD2-CG2 4.17Å |
| 1336 | E | 88.2 | Confident | 86.3 | Confident | 128 Ų | 128 | 39.6 Ų | 39.6 | 60% | 0.598 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140 | 156.9 | 175.8 | -67.3 | 173.4 | -171.5 | 0 | 0 | 109.2 | S1287 | S1287-E1336 PolarHBondContact N-O 3.44Å; S1287-E1336 PolarHBondContact O-N 2.99Å |
| 1337 | G | 88.7 | Confident | 86.5 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 41% | 0.412 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | -173.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | D1284 K1285 | D1284-G1337 CarbonylContact O-C 3.59Å; D1284-G1337 WeakPolarHBondContact O-CA 3.4Å; K1285-G1337 WeakPolarHBondContact O-CA 3.33Å |
| 1338 | A | 90.9 | Very high | 86.4 | Confident | 9 Ų | 9 | 44 Ų | 44 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 159.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1284 Y1340 K1345 | D1284-A1338 PolarHBondContact N-O 3.47Å; D1284-A1338 PolarHBondContact O-N 3.34Å; A1338-Y1340 HydrophobicContact CB-CD2 4.47Å; A1338-Y1340 HydrophobicContact CB-CE2 3.74Å; A1338-K1345 HydrophobicContact CB-CD 4.48Å; A1338-K1345 HydrophobicContact CB-CG 4.32Å |
| 1339 | I | 91.2 | Very high | 86.3 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.5 | 170.8 | -57.4 | 169.6 | 0 | 0 | 0 | 107.6 | I1281 L1282 F1283 Y1286 A1327 L1328 T1346 | I1281-I1339 HydrophobicContact CG2-CG2 4.39Å; L1282-I1339 CarbonylContact O-C 3.54Å; L1282-I1339 WeakPolarHBondContact O-CA 3.35Å; F1283-I1339 HydrophobicContact CD1-CD1 3.97Å; F1283-I1339 HydrophobicContact CD1-CG1 3.77Å; F1283-I1339 HydrophobicContact CD2-CG2 4.46Å; F1283-I1339 HydrophobicContact CE1-CD1 3.36Å; F1283-I1339 HydrophobicContact CE1-CG1 3.7Å; F1283-I1339 HydrophobicContact CE2-CD1 4.47Å; F1283-I1339 HydrophobicContact CE2-CG2 4.27Å; F1283-I1339 HydrophobicContact CG-CG1 4.24Å; F1283-I1339 HydrophobicContact CZ-CD1 3.66Å; F1283-I1339 HydrophobicContact CZ-CG1 4.12Å; F1283-I1339 HydrophobicContact CZ-CG2 4.45Å; Y1286-I1339 HydrophobicContact CD2-CD1 3.88Å; Y1286-I1339 HydrophobicContact CD2-CG1 3.55Å; Y1286-I1339 HydrophobicContact CE1-CD1 4.49Å; Y1286-I1339 HydrophobicContact CE2-CD1 3.56Å; Y1286-I1339 HydrophobicContact CE2-CG1 3.69Å; Y1286-I1339 HydrophobicContact CG-CD1 4.43Å; Y1286-I1339 HydrophobicContact CG-CG1 4.21Å; A1327-I1339 HydrophobicContact CB-CD1 4.14Å; A1327-I1339 WeakPolarHBondContact O-CD1 3.18Å; L1328-I1339 HydrophobicContact CD1-CG2 4.2Å; I1339-T1346 HydrophobicContact CB-CG2 4.2Å; I1339-T1346 HydrophobicContact CG2-CG2 4.03Å; I1339-T1346 WeakPolarHBondContact O-CG2 3.43Å; I1339-T1346 PolarHBondContact O-N 2.99Å; I1339-T1346 PolarHBondContact O-OG1 2.87Å |
| 1340 | Y | 91.6 | Very high | 86.5 | Confident | 68 Ų | 68 | 43 Ų | 43 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.5 | 175.3 | -58 | -101.4 | 0 | 0 | 0 | 109.8 | L1282 D1284 A1338 V1344 K1345 | L1282-Y1340 HydrophobicContact CD2-CD2 3.85Å; L1282-Y1340 HydrophobicContact CD2-CG 4.27Å; L1282-Y1340 HydrophobicContact CG-CD2 4.17Å; L1282-Y1340 PolarHBondContact N-O 2.82Å; L1282-Y1340 PolarHBondContact O-N 3.03Å; D1284-Y1340 HydrophobicContact CB-CE2 4.41Å; A1338-Y1340 HydrophobicContact CB-CD2 4.47Å; A1338-Y1340 HydrophobicContact CB-CE2 3.74Å; Y1340-V1344 WeakPolarHBondContact CA-O 3.36Å; Y1340-K1345 HydrophobicContact CD1-CB 3.89Å; Y1340-K1345 HydrophobicContact CD1-CG 4.25Å; Y1340-K1345 HydrophobicContact CE1-CB 3.73Å; Y1340-K1345 HydrophobicContact CE1-CD 4.32Å; Y1340-K1345 HydrophobicContact CE1-CG 3.86Å |
| 1341 | I | 88 | Confident | 86.4 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.8 | 172.8 | -62.6 | 173.6 | 0 | 0 | 0 | 107.7 | W1275 P1276 R1280 L1328 E1343 V1344 T1346 L1354 I1431 | W1275-I1341 HydrophobicContact CH2-CB 4.17Å; W1275-I1341 HydrophobicContact CH2-CD1 4.44Å; W1275-I1341 HydrophobicContact CH2-CG2 4.07Å; W1275-I1341 HydrophobicContact CZ2-CB 3.64Å; W1275-I1341 HydrophobicContact CZ2-CG2 3.6Å; W1275-I1341 PolarHBondContact NE1-O 3.21Å; P1276-I1341 HydrophobicContact CB-CG2 3.92Å; R1280-I1341 WeakPolarHBondContact O-CA 3.32Å; L1328-I1341 HydrophobicContact CD1-CD1 4.12Å; I1341-E1343 PolarHBondContact O-N 3.22Å; I1341-V1344 PolarHBondContact N-O 3.48Å; I1341-V1344 WeakPolarHBondContact O-CB 3.42Å; I1341-V1344 PolarHBondContact O-N 3.47Å; I1341-T1346 HydrophobicContact CD1-CG2 3.83Å; I1341-T1346 HydrophobicContact CG1-CG2 3.9Å; I1341-L1354 HydrophobicContact CD1-CD1 3.9Å; I1341-I1431 HydrophobicContact CG2-CD1 3.77Å |
| 1342 | D | 86.8 | Confident | 86.5 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 47.7 | -172.4 | -67.3 | -13.1 | 0 | 0 | 0 | 112.5 | P1276 S1277 K1278 G1279 R1280 V1344 | P1276-D1342 VanDerWaalsContact C-OD2 3.25Å; P1276-D1342 WeakPolarHBondContact CA-OD2 3.43Å; P1276-D1342 VanDerWaalsContact CB-OD2 3.28Å; P1276-D1342 WeakPolarHBondContact CB-OD2 3.47Å; S1277-D1342 PolarHBondContact N-OD2 3.42Å; K1278-D1342 WeakPolarHBondContact CB-OD1 3.34Å; K1278-D1342 PolarHBondContact N-OD2 2.47Å; G1279-D1342 PolarHBondContact N-OD1 3.43Å; G1279-D1342 PolarHBondContact N-OD2 3.33Å; R1280-D1342 PolarHBondContact N-OD1 2.92Å; R1280-D1342 PolarHBondContact O-N 3.42Å; D1342-V1344 PolarHBondContact O-N 2.7Å |
| 1343 | E | 83.2 | Confident | 86.5 | Confident | 156 Ų | 156 | 42.9 Ų | 42.9 | 73% | 0.729 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -0.6 | -179.2 | -54.5 | 177.4 | 177.5 | 0 | 0 | 115.3 | R1280 I1341 | R1280-E1343 IonicContact NH1-OE1 3.65Å; I1341-E1343 PolarHBondContact O-N 3.22Å |
| 1344 | V | 86.5 | Confident | 86.3 | Confident | 27 Ų | 27 | 39.7 Ų | 39.7 | 16% | 0.164 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 124.5 | 174.6 | -177 | 0 | 0 | 0 | 0 | 109.9 | F1269 W1275 Y1340 I1341 D1342 T1346 L1349 | F1269-V1344 HydrophobicContact CE1-CG1 3.66Å; F1269-V1344 HydrophobicContact CZ-CG1 4.16Å; W1275-V1344 HydrophobicContact CZ2-CB 4.21Å; Y1340-V1344 WeakPolarHBondContact CA-O 3.36Å; I1341-V1344 PolarHBondContact N-O 3.48Å; I1341-V1344 WeakPolarHBondContact O-CB 3.42Å; I1341-V1344 PolarHBondContact O-N 3.47Å; D1342-V1344 PolarHBondContact O-N 2.7Å; V1344-T1346 PolarHBondContact O-N 3.35Å; V1344-L1349 HydrophobicContact CG1-CD1 3.91Å; V1344-L1349 HydrophobicContact CG1-CD2 3.98Å; V1344-L1349 HydrophobicContact CG1-CG 3.87Å |
| 1345 | K | 87.5 | Confident | 85.9 | Confident | 76 Ų | 76 | 37.3 Ų | 37.3 | 33% | 0.33 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 124.6 | 176.7 | -164.2 | -177.5 | 178.9 | -170.3 | 0 | 110.5 | A1338 Y1340 S1347 D1348 | A1338-K1345 HydrophobicContact CB-CD 4.48Å; A1338-K1345 HydrophobicContact CB-CG 4.32Å; Y1340-K1345 HydrophobicContact CD1-CB 3.89Å; Y1340-K1345 HydrophobicContact CD1-CG 4.25Å; Y1340-K1345 HydrophobicContact CE1-CB 3.73Å; Y1340-K1345 HydrophobicContact CE1-CD 4.32Å; Y1340-K1345 HydrophobicContact CE1-CG 3.86Å; K1345-S1347 WeakPolarHBondContact CD-OG 3.28Å; K1345-S1347 WeakPolarHBondContact CE-OG 3.15Å; K1345-S1347 WeakPolarHBondContact CG-OG 3.41Å; K1345-S1347 PolarHBondContact O-N 3.39Å; K1345-S1347 VanDerWaalsContact O-N 3.16Å; K1345-D1348 PolarHBondContact O-N 3.39Å; K1345-D1348 VanDerWaalsContact O-N 3.16Å |
| 1346 | T | 85.3 | Confident | 85 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -19.5 | -175 | 60.6 | 0 | 0 | 0 | 0 | 114 | R1330 I1339 I1341 V1344 D1348 L1354 | R1330-T1346 PolarHBondContact NH1-O 3.07Å; I1339-T1346 HydrophobicContact CB-CG2 4.2Å; I1339-T1346 HydrophobicContact CG2-CG2 4.03Å; I1339-T1346 WeakPolarHBondContact O-CG2 3.43Å; I1339-T1346 PolarHBondContact O-N 2.99Å; I1339-T1346 PolarHBondContact O-OG1 2.87Å; I1341-T1346 HydrophobicContact CD1-CG2 3.83Å; I1341-T1346 HydrophobicContact CG1-CG2 3.9Å; V1344-T1346 PolarHBondContact O-N 3.35Å; T1346-D1348 VanDerWaalsContact C-N 3.27Å; T1346-D1348 PolarHBondContact O-N 3.4Å; T1346-L1354 HydrophobicContact CG2-CD1 4.31Å |
| 1347 | S | 84.4 | Confident | 83.8 | Confident | 33 Ų | 33 | 33.5 Ų | 33.5 | 23% | 0.231 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.7 | 176 | 60 | 0 | 0 | 0 | 0 | 113.7 | R1330 K1345 | R1330-S1347 VanDerWaalsContact CZ-O 3.32Å; R1330-S1347 VanDerWaalsContact NH1-C 3.26Å; R1330-S1347 PolarHBondContact NH1-O 3.36Å; R1330-S1347 PolarHBondContact NH2-O 3.04Å; R1330-S1347 VanDerWaalsContact NH2-O 3.14Å; K1345-S1347 WeakPolarHBondContact CD-OG 3.28Å; K1345-S1347 WeakPolarHBondContact CE-OG 3.15Å; K1345-S1347 WeakPolarHBondContact CG-OG 3.41Å; K1345-S1347 PolarHBondContact O-N 3.39Å; K1345-S1347 VanDerWaalsContact O-N 3.16Å |
| 1348 | D | 84.2 | Confident | 81.8 | Confident | 86 Ų | 86 | 32.5 Ų | 32.5 | 46% | 0.46 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -14.1 | -171 | -55.7 | -10.5 | 0 | 0 | 0 | 111.5 | T1267 K1345 T1346 | T1267-D1348 PolarHBondContact OG1-O 2.94Å; T1267-D1348 VanDerWaalsContact OG1-O 3.1Å; K1345-D1348 PolarHBondContact O-N 3.39Å; K1345-D1348 VanDerWaalsContact O-N 3.16Å; T1346-D1348 VanDerWaalsContact C-N 3.27Å; T1346-D1348 PolarHBondContact O-N 3.4Å |
| 1349 | L | 84.5 | Confident | 79.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -79.4 | 150.2 | 174.2 | -68.8 | 169.5 | 0 | 0 | 0 | 112.1 | F1269 P1271 W1275 R1330 V1344 L1354 | F1269-L1349 HydrophobicContact CD1-CD2 3.85Å; F1269-L1349 HydrophobicContact CE1-CD2 3.82Å; P1271-L1349 HydrophobicContact CB-CD2 3.91Å; P1271-L1349 HydrophobicContact CG-CD2 3.73Å; W1275-L1349 HydrophobicContact CH2-CD1 3.19Å; W1275-L1349 HydrophobicContact CZ2-CD1 3.53Å; W1275-L1349 HydrophobicContact CZ3-CD1 3.81Å; R1330-L1349 PolarHBondContact NH1-O 2.93Å; V1344-L1349 HydrophobicContact CG1-CD1 3.91Å; V1344-L1349 HydrophobicContact CG1-CD2 3.98Å; V1344-L1349 HydrophobicContact CG1-CG 3.87Å; L1349-L1354 HydrophobicContact CD1-CD1 4.48Å |
| 1350 | G | 85.3 | Confident | 77 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -67.5 | 141.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | W1265 T1267 H1352 D1353 L1354 | W1265-G1350 CarbonylContact O-C 3.53Å; W1265-G1350 VanDerWaalsContact O-C 3.31Å; W1265-G1350 WeakPolarHBondContact O-CA 3.33Å; T1267-G1350 PolarHBondContact OG1-N 3.33Å; G1350-H1352 PolarHBondContact O-N 2.95Å; G1350-D1353 PolarHBondContact O-N 3.27Å; G1350-D1353 VanDerWaalsContact O-N 3.09Å; G1350-L1354 PolarHBondContact O-N 2.89Å; G1350-L1354 VanDerWaalsContact O-N 3.1Å | ||
| 1351 | L | 84.6 | Confident | 74.6 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.1 | -35.1 | -178.5 | -64 | 176.9 | 0 | 0 | 0 | 112.6 | E1262 A1263 S1264 W1265 R1330 R1355 | E1262-L1351 HydrophobicContact CB-CD1 4.35Å; E1262-L1351 HydrophobicContact CG-CD1 3.67Å; A1263-L1351 HydrophobicContact CB-CD1 4.08Å; A1263-L1351 HydrophobicContact CB-CD2 4.44Å; A1263-L1351 HydrophobicContact CB-CG 4.23Å; A1263-L1351 VanDerWaalsContact O-CD1 3.27Å; A1263-L1351 WeakPolarHBondContact O-CD1 3.47Å; S1264-L1351 PolarHBondContact O-N 3.3Å; W1265-L1351 PolarHBondContact O-N 2.93Å; R1330-L1351 HydrophobicContact CB-CD2 4.3Å; R1330-L1351 HydrophobicContact CG-CD2 4.23Å; L1351-R1355 WeakPolarHBondContact O-CB 3.43Å; L1351-R1355 WeakPolarHBondContact O-CG 3.36Å; L1351-R1355 PolarHBondContact O-N 2.98Å |
| 1352 | H | 83 | Confident | 72 | Confident | 21 Ų | 21 | 33.4 Ų | 33.4 | 10% | 0.097 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -75.8 | -32.9 | 179.3 | -72.5 | -164.2 | 0 | 0 | 0 | 112.1 | A524 E526 P527 W1265 G1350 L1354 S1356 | A524-H1352 HydrophobicContact CB-CB 3.9Å; E526-H1352 IonicContact OE2-NE2 3.78Å; P527-H1352 VanDerWaalsContact CG-CE1 3.44Å; P527-H1352 WeakPolarHBondContact CG-CE1 3.33Å; W1265-H1352 HydrophobicContact CB-CB 4.44Å; W1265-H1352 AromaticContact CD1-CD2 3.48Å; W1265-H1352 VanDerWaalsContact CD1-CD2 3.48Å; W1265-H1352 AromaticContact CD1-CE1 3.73Å; W1265-H1352 AromaticContact CD1-NE2 3.09Å; W1265-H1352 AromaticContact CD2-CE1 3.37Å; W1265-H1352 AromaticContact CD2-NE2 3.54Å; W1265-H1352 AromaticContact CE2-CE1 3.62Å; W1265-H1352 AromaticContact CE2-NE2 3.47Å; W1265-H1352 AromaticContact CE3-CE1 3.86Å; W1265-H1352 AromaticContact CG-CD2 3.67Å; W1265-H1352 AromaticContact CG-CE1 3.44Å; W1265-H1352 VanDerWaalsContact CG-CE1 3.44Å; W1265-H1352 AromaticContact CG-ND1 3.88Å; W1265-H1352 AromaticContact CG-NE2 3.28Å; W1265-H1352 VanDerWaalsContact CG-NE2 3.28Å; W1265-H1352 AromaticContact NE1-CE1 3.8Å; W1265-H1352 AromaticContact NE1-NE2 3.17Å; W1265-H1352 PolarHBondContact NE1-NE2 2.97Å; W1265-H1352 VanDerWaalsContact NE1-NE2 3.17Å; W1265-H1352 WeakPolarHBondContact O-CB 3.08Å; W1265-H1352 PolarHBondContact O-N 2.72Å; G1350-H1352 PolarHBondContact O-N 2.95Å; H1352-L1354 VanDerWaalsContact C-N 3.26Å; H1352-L1354 PolarHBondContact O-N 3.47Å; H1352-S1356 WeakPolarHBondContact O-CB 3.38Å; H1352-S1356 PolarHBondContact O-N 3.48Å; H1352-S1356 PolarHBondContact O-OG 2.99Å |
| 1353 | D | 81.3 | Confident | 70 | Confident | 31 Ų | 31 | 33.2 Ų | 33.2 | 17% | 0.166 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.7 | -33.9 | 176.3 | -56.3 | -33.2 | 0 | 0 | 0 | 110.5 | P1271 G1350 | P1271-D1353 HydrophobicContact CG-CB 4.18Å; G1350-D1353 PolarHBondContact O-N 3.27Å; G1350-D1353 VanDerWaalsContact O-N 3.09Å |
| 1354 | L | 82.2 | Confident | 68.7 | Low | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.2 | -55.3 | 172.2 | -177.5 | 68 | 0 | 0 | 0 | 112.7 | W1275 R1330 I1341 T1346 L1349 G1350 H1352 | W1275-L1354 HydrophobicContact CH2-CD1 4.01Å; W1275-L1354 HydrophobicContact CZ3-CD1 4.5Å; R1330-L1354 HydrophobicContact CB-CD2 3.86Å; I1341-L1354 HydrophobicContact CD1-CD1 3.9Å; T1346-L1354 HydrophobicContact CG2-CD1 4.31Å; L1349-L1354 HydrophobicContact CD1-CD1 4.48Å; G1350-L1354 PolarHBondContact O-N 2.89Å; G1350-L1354 VanDerWaalsContact O-N 3.1Å; H1352-L1354 VanDerWaalsContact C-N 3.26Å; H1352-L1354 PolarHBondContact O-N 3.47Å |
| 1355 | R | 79.5 | Confident | 68 | Low | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -78.8 | -27.3 | -168.7 | -67.7 | -173.7 | -167.9 | 158 | -3.3 | 114.3 | K521 L522 A524 E1262 F1329 R1330 L1351 R1357 I1358 | K521-R1355 WeakPolarHBondContact O-CD 3.06Å; L522-R1355 WeakPolarHBondContact O-CB 3.38Å; A524-R1355 HydrophobicContact CB-CB 4.22Å; E1262-R1355 IonicContact OE1-CZ 2.78Å; E1262-R1355 IonicContact OE1-NH1 2.67Å; E1262-R1355 PolarHBondContact OE1-NH1 3.45Å; E1262-R1355 VanDerWaalsContact OE1-NH1 3.12Å; E1262-R1355 IonicContact OE1-NH2 3.03Å; E1262-R1355 PolarHBondContact OE1-NH2 3.39Å; E1262-R1355 IonicContact OE2-NH1 3.52Å; F1329-R1355 PolarHBondContact O-NE 2.99Å; F1329-R1355 PolarHBondContact O-NH2 2.89Å; R1330-R1355 PolarHBondContact O-NH2 3.42Å; L1351-R1355 WeakPolarHBondContact O-CB 3.43Å; L1351-R1355 WeakPolarHBondContact O-CG 3.36Å; L1351-R1355 PolarHBondContact O-N 2.98Å; R1355-R1357 PolarHBondContact O-N 3.09Å; R1355-I1358 PolarHBondContact O-N 3.2Å; R1355-I1358 VanDerWaalsContact O-O 3.12Å |
| 1356 | S | 68.6 | Low | 67.7 | Low | 43 Ų | 43 | 26.1 Ų | 26.1 | 30% | 0.301 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.5 | 178.8 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | H1352 R1427 | H1352-S1356 WeakPolarHBondContact O-CB 3.38Å; H1352-S1356 PolarHBondContact O-N 3.48Å; H1352-S1356 PolarHBondContact O-OG 2.99Å; S1356-R1427 PolarHBondContact O-NE 2.99Å; S1356-R1427 PolarHBondContact O-NH1 3.23Å; S1356-R1427 VanDerWaalsContact O-NH1 3.11Å; S1356-R1427 PolarHBondContact O-NH2 3.38Å |
| 1357 | R | 62.9 | Low | 67.1 | Low | 68 Ų | 68 | 27.8 Ų | 27.8 | 26% | 0.257 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 10.9 | -176.2 | -61.6 | -175.1 | 170 | 164.8 | -2.2 | 113.9 | P1272 A1273 W1275 R1355 S1429 | P1272-R1357 PolarHBondContact O-NH1 3.49Å; P1272-R1357 PolarHBondContact O-NH2 3.14Å; A1273-R1357 PolarHBondContact O-NH2 3.32Å; W1275-R1357 WeakPolarHBondContact O-CD 3.44Å; W1275-R1357 PolarHBondContact O-NE 3.44Å; W1275-R1357 PolarHBondContact O-NH1 2.99Å; R1355-R1357 PolarHBondContact O-N 3.09Å; R1357-S1429 WeakPolarHBondContact O-CB 3.38Å |
| 1358 | I | 45.5 | Very low | 66.4 | Low | 20 Ų | 20 | 26.3 Ų | 26.3 | 10% | 0.103 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -144.2 | 146 | -179 | -49.4 | 170.3 | 0 | 0 | 0 | 109.3 | H523 F1329 R1355 R1427 | H523-I1358 VanDerWaalsContact ND1-C 3.34Å; H523-I1358 PolarHBondContact ND1-O 3.18Å; F1329-I1358 HydrophobicContact CD1-CD1 3.99Å; F1329-I1358 HydrophobicContact CE1-CB 3.55Å; F1329-I1358 HydrophobicContact CE1-CD1 3.54Å; F1329-I1358 HydrophobicContact CE1-CG1 4.12Å; F1329-I1358 HydrophobicContact CE1-CG2 3.33Å; F1329-I1358 HydrophobicContact CZ-CB 4.13Å; F1329-I1358 HydrophobicContact CZ-CD1 4.09Å; F1329-I1358 HydrophobicContact CZ-CG2 3.36Å; R1355-I1358 PolarHBondContact O-N 3.2Å; R1355-I1358 VanDerWaalsContact O-O 3.12Å; I1358-R1427 PolarHBondContact O-NH1 2.96Å |
| 1359 | M | 46.9 | Very low | 66 | Low | 20 Ų | 20 | 22.2 Ų | 22.2 | 10% | 0.099 | 11% | 0.114 | C | C | . | . | trans | -138.8 | 148.5 | -151 | -145.9 | 178.3 | 167.1 | 0 | 0 | 121.7 | H523 W525 I1369 R1423 R1427 | H523-M1359 WeakPolarHBondContact CE1-CA 3.24Å; H523-M1359 PolarHBondContact CE1-N 3.34Å; H523-M1359 PolarHBondContact CE1-O 3.14Å; H523-M1359 VanDerWaalsContact ND1-C 3.29Å; H523-M1359 WeakPolarHBondContact ND1-CA 3.14Å; H523-M1359 PolarHBondContact ND1-N 3.33Å; W525-M1359 HydrophobicContact CH2-CE 4.02Å; W525-M1359 HydrophobicContact CZ2-CE 3.78Å; W525-M1359 HydrophobicContact CZ2-CG 4.2Å; M1359-I1369 WeakPolarHBondContact CE-O 3.27Å; M1359-R1423 HydrophobicContact CE-CB 3.81Å; M1359-R1423 HydrophobicContact CE-CG 3.89Å; M1359-R1423 HydrophobicContact CG-CB 4.21Å; M1359-R1423 HydrophobicContact SD-CB 3.83Å; M1359-R1427 HydrophobicContact CE-CG 4.16Å; M1359-R1427 HydrophobicContact CG-CG 4.24Å; M1359-R1427 HydrophobicContact SD-CB 3.52Å; M1359-R1427 VanDerWaalsContact SD-CB 3.52Å; M1359-R1427 WeakPolarHBondContact SD-CD 3.37Å; M1359-R1427 HydrophobicContact SD-CG 3.25Å; M1359-R1427 WeakPolarHBondContact SD-CG 3.06Å | ||
| 1360 | L | 35.9 | Very low | 65.6 | Low | 50 Ų | 50 | 22.6 Ų | 22.6 | 26% | 0.262 | 12% | 0.116 | S | C | . | . | trans | 158.6 | 99.2 | 177 | -91.8 | 161.4 | 0 | 0 | 0 | 120.4 | L516 A519 H523 C1420 | L516-L1360 HydrophobicContact CD2-CD2 3.94Å; A519-L1360 HydrophobicContact CB-CB 4.09Å; A519-L1360 WeakPolarHBondContact CB-O 3.43Å; A519-L1360 PolarHBondContact N-O 3.32Å; H523-L1360 VanDerWaalsContact CD2-CA 3.48Å; H523-L1360 WeakPolarHBondContact CD2-CA 3.32Å; H523-L1360 PolarHBondContact CD2-N 2.91Å; H523-L1360 PolarHBondContact CD2-O 2.9Å; H523-L1360 PolarHBondContact CE1-N 3.5Å; H523-L1360 PolarHBondContact ND1-N 3.21Å; H523-L1360 WeakPolarHBondContact NE2-CA 3.34Å; H523-L1360 WeakPolarHBondContact NE2-CB 3.27Å; H523-L1360 PolarHBondContact NE2-N 3.15Å; H523-L1360 PolarHBondContact NE2-O 3.35Å; L1360-C1420 HydrophobicContact CD2-CB 3.23Å; L1360-C1420 WeakPolarHBondContact CD2-SG 3.41Å; L1360-C1420 HydrophobicContact CG-CB 4.16Å | ||
| 1361 | F | 39.9 | Very low | 64.8 | Low | 5 Ų | 5 | 22.8 Ų | 22.8 | 2% | 0.022 | 12% | 0.117 | C | C | . | . | trans | -151.4 | -175.7 | 154.1 | -134.4 | -103.2 | 0 | 0 | 0 | 120.9 | V518 A519 L520 W525 F529 N1368 R1423 | V518-F1361 HydrophobicContact CB-CD2 4.2Å; V518-F1361 HydrophobicContact CB-CE2 3.9Å; V518-F1361 HydrophobicContact CB-CZ 4.16Å; V518-F1361 HydrophobicContact CG1-CD1 3.6Å; V518-F1361 HydrophobicContact CG1-CD2 3.54Å; V518-F1361 HydrophobicContact CG1-CE1 3.16Å; V518-F1361 HydrophobicContact CG1-CE2 2.96Å; V518-F1361 HydrophobicContact CG1-CG 3.78Å; V518-F1361 HydrophobicContact CG1-CZ 2.84Å; V518-F1361 VanDerWaalsContact O-CE2 3.28Å; V518-F1361 WeakPolarHBondContact O-CE2 3.3Å; A519-F1361 VanDerWaalsContact C-CE2 3.4Å; L520-F1361 HydrophobicContact CB-CD2 4.17Å; L520-F1361 HydrophobicContact CB-CE2 3.26Å; L520-F1361 HydrophobicContact CB-CZ 3.43Å; L520-F1361 VanDerWaalsContact CB-CZ 3.43Å; L520-F1361 HydrophobicContact CD1-CE1 3.67Å; L520-F1361 HydrophobicContact CD1-CE2 3.94Å; L520-F1361 HydrophobicContact CD1-CZ 3.28Å; L520-F1361 HydrophobicContact CG-CE2 4.13Å; L520-F1361 HydrophobicContact CG-CZ 3.93Å; L520-F1361 VanDerWaalsContact N-CD2 3.35Å; W525-F1361 HydrophobicContact CD2-CB 4.42Å; W525-F1361 HydrophobicContact CE3-CB 3.11Å; W525-F1361 AromaticContact CE3-CG 3.95Å; W525-F1361 HydrophobicContact CE3-CG 3.95Å; W525-F1361 HydrophobicContact CH2-CB 4.08Å; W525-F1361 HydrophobicContact CZ3-CB 2.92Å; W525-F1361 HydrophobicContact CZ3-CG 4.17Å; F529-F1361 HydrophobicContact CE2-CD1 4.02Å; F529-F1361 HydrophobicContact CE2-CE1 4.03Å; F529-F1361 AromaticContact CZ-CD1 3.86Å; F529-F1361 HydrophobicContact CZ-CD1 3.86Å; F529-F1361 AromaticContact CZ-CE1 3.9Å; F529-F1361 HydrophobicContact CZ-CE1 3.9Å; F1361-N1368 CarbonylContact O-C 3.56Å; F1361-N1368 VanDerWaalsContact O-CA 3.23Å; F1361-N1368 WeakPolarHBondContact O-CA 3.13Å; F1361-N1368 WeakPolarHBondContact O-CB 3.34Å; F1361-R1423 PolarHBondContact O-NH1 2.93Å | ||
| 1362 | F | 33.2 | Very low | 64.2 | Low | 27 Ų | 27 | 25 Ų | 25 | 12% | 0.118 | 13% | 0.131 | C | C | . | . | trans | -115 | 171.5 | -169.2 | -83.5 | -107.9 | 0 | 0 | 0 | 118.2 | L516 T517 V518 N1368 V1404 R1416 | L516-F1362 WeakPolarHBondContact O-CE2 3.31Å; T517-F1362 HydrophobicContact CG2-CD2 4.26Å; T517-F1362 HydrophobicContact CG2-CE2 3.75Å; T517-F1362 HydrophobicContact CG2-CZ 3.9Å; V518-F1362 HydrophobicContact CG2-CB 4.03Å; V518-F1362 HydrophobicContact CG2-CD2 3.17Å; V518-F1362 HydrophobicContact CG2-CE2 3.72Å; V518-F1362 HydrophobicContact CG2-CG 3.83Å; F1362-N1368 WeakPolarHBondContact CA-OD1 3.34Å; F1362-V1404 HydrophobicContact CD1-CG1 3.78Å; F1362-V1404 HydrophobicContact CE1-CG1 3.82Å; F1362-R1416 HydrophobicContact CZ-CG 4.45Å | ||
| 1363 | G | 45.9 | Very low | 63.8 | Low | 18 Ų | 18 | 30.1 Ų | 30.1 | 19% | 0.186 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 136.3 | -165.9 | -150 | 0 | 0 | 0 | 0 | 0 | 115.1 | N1368 V1404 | G1363-N1368 WeakPolarHBondContact CA-OD1 3.45Å; G1363-N1368 PolarHBondContact N-OD1 3.44Å; G1363-N1368 PolarHBondContact O-ND2 2.78Å; G1363-N1368 PolarHBondContact O-OD1 3.4Å; G1363-V1404 WeakPolarHBondContact O-CB 3.35Å; G1363-V1404 WeakPolarHBondContact O-CG2 3.21Å |
| 1364 | T | 56.7 | Low | 63.7 | Low | 41 Ų | 41 | 36.1 Ų | 36.1 | 25% | 0.252 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -57.1 | 161.2 | 162.4 | 57.4 | 0 | 0 | 0 | 0 | 109.3 | R1366 M1367 N1368 D1401 F1402 | T1364-R1366 CarbonylContact O-C 3.59Å; T1364-R1366 PolarHBondContact O-N 2.96Å; T1364-R1366 VanDerWaalsContact O-N 3.08Å; T1364-M1367 CarbonylContact O-C 3.27Å; T1364-M1367 WeakPolarHBondContact O-CA 3.19Å; T1364-M1367 PolarHBondContact O-N 3.37Å; T1364-M1367 WeakPolarHBondContact OG1-CB 3.48Å; T1364-M1367 PolarHBondContact OG1-N 3Å; T1364-N1368 WeakPolarHBondContact O-CB 3.23Å; T1364-N1368 PolarHBondContact O-N 3.3Å; T1364-N1368 PolarHBondContact O-ND2 3.44Å; T1364-N1368 PolarHBondContact O-OD1 3.31Å; T1364-N1368 VanDerWaalsContact O-OD1 3.12Å; T1364-D1401 WeakPolarHBondContact CG2-O 3.45Å; T1364-F1402 WeakPolarHBondContact CA-O 3.36Å |
| 1365 | I | 71.5 | Confident | 63.7 | Low | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52.5 | -38.7 | 177.9 | -63.8 | 177.7 | 0 | 0 | 0 | 111.1 | N1368 I1369 L1384 V1393 L1396 L1400 F1402 V1404 | I1365-N1368 WeakPolarHBondContact O-CB 3.45Å; I1365-N1368 PolarHBondContact O-N 3.37Å; I1365-I1369 HydrophobicContact CG2-CD1 3.73Å; I1365-I1369 WeakPolarHBondContact O-CB 3.26Å; I1365-I1369 WeakPolarHBondContact O-CD1 3.49Å; I1365-I1369 VanDerWaalsContact O-CG1 3.24Å; I1365-I1369 WeakPolarHBondContact O-CG1 3.34Å; I1365-I1369 PolarHBondContact O-N 3.07Å; I1365-I1369 VanDerWaalsContact O-N 3.16Å; I1365-L1384 HydrophobicContact CG2-CD1 4.34Å; I1365-V1393 HydrophobicContact CD1-CB 4.46Å; I1365-V1393 HydrophobicContact CD1-CG1 3.85Å; I1365-V1393 HydrophobicContact CD1-CG2 3.98Å; I1365-V1393 HydrophobicContact CG2-CG1 4.25Å; I1365-V1393 HydrophobicContact CG2-CG2 4.45Å; I1365-L1396 HydrophobicContact CD1-CD1 3.65Å; I1365-L1400 CarbonylContact C-O 3.59Å; I1365-L1400 WeakPolarHBondContact CA-O 2.87Å; I1365-L1400 WeakPolarHBondContact CB-O 3.19Å; I1365-L1400 HydrophobicContact CG2-CD2 4.25Å; I1365-L1400 PolarHBondContact N-O 3.36Å; I1365-L1400 VanDerWaalsContact N-O 3.13Å; I1365-F1402 HydrophobicContact CD1-CB 4.07Å; I1365-F1402 HydrophobicContact CD1-CD1 4.23Å; I1365-F1402 HydrophobicContact CG1-CB 4.41Å; I1365-F1402 PolarHBondContact N-O 2.85Å; I1365-V1404 HydrophobicContact CG1-CG2 4.31Å |
| 1366 | R | 80.4 | Confident | 64.2 | Low | 69 Ų | 69 | 43.4 Ų | 43.4 | 26% | 0.26 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.4 | -55.7 | 169 | -178.1 | -175.9 | -89.3 | 144.9 | -20.8 | 112.5 | T1364 N1368 I1369 D1370 D1377 I1380 L1400 D1401 | T1364-R1366 CarbonylContact O-C 3.59Å; T1364-R1366 PolarHBondContact O-N 2.96Å; T1364-R1366 VanDerWaalsContact O-N 3.08Å; R1366-N1368 PolarHBondContact O-N 2.61Å; R1366-I1369 PolarHBondContact O-N 3.03Å; R1366-I1369 VanDerWaalsContact O-N 3.16Å; R1366-D1370 PolarHBondContact O-N 3Å; R1366-D1377 IonicContact CZ-OD1 3.52Å; R1366-D1377 IonicContact CZ-OD2 3.2Å; R1366-D1377 IonicContact NE-OD1 3.3Å; R1366-D1377 PolarHBondContact NE-OD1 2.95Å; R1366-D1377 IonicContact NH2-OD1 2.73Å; R1366-D1377 PolarHBondContact NH2-OD1 3.4Å; R1366-D1377 IonicContact NH2-OD2 2.76Å; R1366-D1377 PolarHBondContact NH2-OD2 3.17Å; R1366-I1380 HydrophobicContact CG-CD1 4.11Å; R1366-L1400 HydrophobicContact CB-CB 4.29Å; R1366-L1400 PolarHBondContact N-O 3.05Å; R1366-D1401 IonicContact CZ-OD1 3.74Å; R1366-D1401 IonicContact NH1-OD1 3.45Å; R1366-D1401 PolarHBondContact NH1-OD1 3.31Å; R1366-D1401 IonicContact NH1-OD2 3.55Å; R1366-D1401 PolarHBondContact NH1-OD2 2.99Å |
| 1367 | M | 71.9 | Confident | 65.1 | Low | 45 Ų | 45 | 44.4 Ų | 44.4 | 22% | 0.222 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.6 | -21.4 | -177.9 | -170.7 | 170.6 | 81.5 | 0 | 0 | 113.1 | K532 T1364 P1371 | K532-M1367 HydrophobicContact CD-SD 4.37Å; K532-M1367 PolarHBondContact NZ-SD 3.3Å; K532-M1367 VanDerWaalsContact NZ-SD 3.4Å; T1364-M1367 CarbonylContact O-C 3.27Å; T1364-M1367 WeakPolarHBondContact O-CA 3.19Å; T1364-M1367 PolarHBondContact O-N 3.37Å; T1364-M1367 WeakPolarHBondContact OG1-CB 3.48Å; T1364-M1367 PolarHBondContact OG1-N 3Å; M1367-P1371 HydrophobicContact CG-CB 4.18Å; M1367-P1371 WeakPolarHBondContact O-CA 3.31Å; M1367-P1371 VanDerWaalsContact O-CB 3.27Å; M1367-P1371 WeakPolarHBondContact O-CB 3.32Å; M1367-P1371 WeakPolarHBondContact O-CD 3.07Å; M1367-P1371 VanDerWaalsContact O-CG 3.25Å; M1367-P1371 WeakPolarHBondContact O-CG 3.46Å |
| 1368 | N | 69.8 | Low | 66.4 | Low | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.6 | -50.4 | 171.7 | -63.9 | -15.8 | 0 | 0 | 0 | 110.2 | F1361 F1362 G1363 T1364 I1365 R1366 I1419 R1423 | F1361-N1368 CarbonylContact O-C 3.56Å; F1361-N1368 VanDerWaalsContact O-CA 3.23Å; F1361-N1368 WeakPolarHBondContact O-CA 3.13Å; F1361-N1368 WeakPolarHBondContact O-CB 3.34Å; F1362-N1368 WeakPolarHBondContact CA-OD1 3.34Å; G1363-N1368 WeakPolarHBondContact CA-OD1 3.45Å; G1363-N1368 PolarHBondContact N-OD1 3.44Å; G1363-N1368 PolarHBondContact O-ND2 2.78Å; G1363-N1368 PolarHBondContact O-OD1 3.4Å; T1364-N1368 WeakPolarHBondContact O-CB 3.23Å; T1364-N1368 PolarHBondContact O-N 3.3Å; T1364-N1368 PolarHBondContact O-ND2 3.44Å; T1364-N1368 PolarHBondContact O-OD1 3.31Å; T1364-N1368 VanDerWaalsContact O-OD1 3.12Å; I1365-N1368 WeakPolarHBondContact O-CB 3.45Å; I1365-N1368 PolarHBondContact O-N 3.37Å; R1366-N1368 PolarHBondContact O-N 2.61Å; N1368-I1419 HydrophobicContact CB-CG2 4.2Å; N1368-R1423 VanDerWaalsContact O-CD 3.27Å; N1368-R1423 WeakPolarHBondContact O-CD 3.48Å |
| 1369 | I | 76.6 | Confident | 68.4 | Low | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.3 | -44.4 | -171 | -67.6 | 169.7 | 0 | 0 | 0 | 109.9 | M1359 I1365 R1366 I1380 L1384 I1419 R1423 L1426 | M1359-I1369 WeakPolarHBondContact CE-O 3.27Å; I1365-I1369 HydrophobicContact CG2-CD1 3.73Å; I1365-I1369 WeakPolarHBondContact O-CB 3.26Å; I1365-I1369 WeakPolarHBondContact O-CD1 3.49Å; I1365-I1369 VanDerWaalsContact O-CG1 3.24Å; I1365-I1369 WeakPolarHBondContact O-CG1 3.34Å; I1365-I1369 PolarHBondContact O-N 3.07Å; I1365-I1369 VanDerWaalsContact O-N 3.16Å; R1366-I1369 PolarHBondContact O-N 3.03Å; R1366-I1369 VanDerWaalsContact O-N 3.16Å; I1369-I1380 HydrophobicContact CB-CG2 4.46Å; I1369-I1380 HydrophobicContact CD1-CG2 3.88Å; I1369-I1380 HydrophobicContact CG2-CG1 4.27Å; I1369-I1380 HydrophobicContact CG2-CG2 4.13Å; I1369-L1384 HydrophobicContact CD1-CD1 4.06Å; I1369-L1384 HydrophobicContact CD1-CD2 3.68Å; I1369-L1384 HydrophobicContact CD1-CG 3.81Å; I1369-I1419 HydrophobicContact CG1-CG2 4.29Å; I1369-R1423 HydrophobicContact CB-CG 4.5Å; I1369-R1423 HydrophobicContact CG1-CG 4.46Å; I1369-L1426 HydrophobicContact CG2-CD2 3.33Å |
| 1370 | D | 76.7 | Confident | 70.4 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.053 | 25% | 0.252 | C | S | . | . | trans | -140.7 | 76.3 | -178.2 | -173.9 | 37.9 | 0 | 0 | 0 | 113 | R1366 P1372 E1373 E1374 K1375 I1380 L1426 | R1366-D1370 PolarHBondContact O-N 3Å; D1370-P1372 VanDerWaalsContact C-CD 3.43Å; D1370-P1372 WeakPolarHBondContact OD1-CD 3.36Å; D1370-P1372 WeakPolarHBondContact OD1-CG 3.3Å; D1370-E1373 PolarHBondContact O-N 3.38Å; D1370-E1373 VanDerWaalsContact O-N 3.16Å; D1370-E1373 VanDerWaalsContact OD2-CA 3.32Å; D1370-E1373 WeakPolarHBondContact OD2-CA 3.19Å; D1370-E1374 PolarHBondContact OD2-N 2.74Å; D1370-K1375 HydrophobicContact CB-CB 4.38Å; D1370-K1375 WeakPolarHBondContact OD2-CB 3.43Å; D1370-K1375 PolarHBondContact OD2-N 3.09Å; D1370-I1380 HydrophobicContact CB-CD1 4.35Å; D1370-L1426 HydrophobicContact CB-CD2 4.17Å | ||
| 1371 | P | 68.7 | Low | 73.1 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.019 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.5 | 178.1 | 9.7 | -11.3 | 0 | 0 | 0 | 117.7 | W525 K532 M1367 E1373 | W525-P1371 HydrophobicContact CD2-CG 3.54Å; W525-P1371 HydrophobicContact CE3-CB 4.28Å; W525-P1371 HydrophobicContact CE3-CG 3.16Å; W525-P1371 HydrophobicContact CG-CG 4.42Å; W525-P1371 VanDerWaalsContact CH2-CD 3.43Å; W525-P1371 HydrophobicContact CH2-CG 3.41Å; W525-P1371 VanDerWaalsContact CH2-CG 3.41Å; W525-P1371 HydrophobicContact CZ2-CG 3.74Å; W525-P1371 HydrophobicContact CZ3-CB 4.42Å; W525-P1371 HydrophobicContact CZ3-CG 3.03Å; K532-P1371 PolarHBondContact NZ-O 2.93Å; M1367-P1371 HydrophobicContact CG-CB 4.18Å; M1367-P1371 WeakPolarHBondContact O-CA 3.31Å; M1367-P1371 VanDerWaalsContact O-CB 3.27Å; M1367-P1371 WeakPolarHBondContact O-CB 3.32Å; M1367-P1371 WeakPolarHBondContact O-CD 3.07Å; M1367-P1371 VanDerWaalsContact O-CG 3.25Å; M1367-P1371 WeakPolarHBondContact O-CG 3.46Å; P1371-E1373 PolarHBondContact O-N 2.97Å |
| 1372 | P | 70.9 | Confident | 75.5 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 31% | 0.312 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -9.6 | 171.9 | 30.8 | -34 | 0 | 0 | 0 | 113.2 | D1370 E1374 | D1370-P1372 VanDerWaalsContact C-CD 3.43Å; D1370-P1372 WeakPolarHBondContact OD1-CD 3.36Å; D1370-P1372 WeakPolarHBondContact OD1-CG 3.3Å; P1372-E1374 HydrophobicContact CB-CG 3.99Å; P1372-E1374 HydrophobicContact CG-CG 4.15Å |
| 1373 | E | 75.6 | Confident | 78.1 | Confident | 129 Ų | 129 | 52 Ų | 52 | 60% | 0.603 | 26% | 0.264 | S | S | * | . | trans | 60.1 | 45.7 | 179 | -62 | 162.8 | -149.2 | 0 | 0 | 111.8 | K532 D1370 P1371 | K532-E1373 IonicContact NZ-OE1 3.34Å; K532-E1373 PolarHBondContact NZ-OE1 3.41Å; D1370-E1373 PolarHBondContact O-N 3.38Å; D1370-E1373 VanDerWaalsContact O-N 3.16Å; D1370-E1373 VanDerWaalsContact OD2-CA 3.32Å; D1370-E1373 WeakPolarHBondContact OD2-CA 3.19Å; P1371-E1373 PolarHBondContact O-N 2.97Å | ||
| 1374 | E | 78.5 | Confident | 80.2 | Confident | 156 Ų | 156 | 51.2 Ų | 51.2 | 73% | 0.729 | 26% | 0.255 | S | S | * | . | trans | -96.9 | -20.7 | -178.7 | -70.7 | 176.8 | -173.9 | 0 | 0 | 113.2 | D1370 P1372 | D1370-E1374 PolarHBondContact OD2-N 2.74Å; P1372-E1374 HydrophobicContact CB-CG 3.99Å; P1372-E1374 HydrophobicContact CG-CG 4.15Å | ||
| 1375 | K | 82.9 | Confident | 81.8 | Confident | 81 Ų | 81 | 53.7 Ų | 53.7 | 35% | 0.352 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -101.8 | 151 | -173.9 | -60.7 | -68.8 | 179.3 | -177.1 | 0 | 111.6 | D1370 E1379 L1426 | D1370-K1375 HydrophobicContact CB-CB 4.38Å; D1370-K1375 WeakPolarHBondContact OD2-CB 3.43Å; D1370-K1375 PolarHBondContact OD2-N 3.09Å; K1375-E1379 WeakPolarHBondContact CA-OE2 3.35Å; K1375-E1379 WeakPolarHBondContact CB-OE2 3.44Å; K1375-E1379 WeakPolarHBondContact CD-OE2 3.5Å; K1375-L1426 HydrophobicContact CB-CD1 4.39Å; K1375-L1426 HydrophobicContact CB-CD2 4.25Å; K1375-L1426 HydrophobicContact CD-CD1 4.34Å; K1375-L1426 HydrophobicContact CD-CG 4.45Å; K1375-L1426 HydrophobicContact CG-CD1 4.19Å; K1375-L1426 HydrophobicContact CG-CD2 3.96Å; K1375-L1426 HydrophobicContact CG-CG 4.06Å |
| 1376 | T | 88.6 | Confident | 82.6 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | trans | -81 | 157.1 | 177 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | D1378 E1379 I1380 | T1376-D1378 PolarHBondContact O-N 3.18Å; T1376-E1379 PolarHBondContact N-OE2 2.8Å; T1376-E1379 VanDerWaalsContact N-OE2 3.12Å; T1376-E1379 WeakPolarHBondContact O-CB 3.17Å; T1376-E1379 PolarHBondContact O-N 3Å; T1376-E1379 VanDerWaalsContact O-N 3.08Å; T1376-E1379 WeakPolarHBondContact OG1-CG 3.36Å; T1376-I1380 PolarHBondContact O-N 2.87Å; T1376-I1380 VanDerWaalsContact O-N 3.12Å | ||
| 1377 | D | 87.8 | Confident | 82.8 | Confident | 65 Ų | 65 | 52.3 Ų | 52.3 | 35% | 0.348 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.3 | -32.8 | 177.3 | -73.5 | -11.3 | 0 | 0 | 0 | 112.4 | R1366 I1380 W1381 L1400 | R1366-D1377 IonicContact CZ-OD1 3.52Å; R1366-D1377 IonicContact CZ-OD2 3.2Å; R1366-D1377 IonicContact NE-OD1 3.3Å; R1366-D1377 PolarHBondContact NE-OD1 2.95Å; R1366-D1377 IonicContact NH2-OD1 2.73Å; R1366-D1377 PolarHBondContact NH2-OD1 3.4Å; R1366-D1377 IonicContact NH2-OD2 2.76Å; R1366-D1377 PolarHBondContact NH2-OD2 3.17Å; D1377-I1380 PolarHBondContact O-N 2.94Å; D1377-W1381 PolarHBondContact O-N 3.22Å; D1377-L1400 HydrophobicContact CB-CD1 4.35Å |
| 1378 | D | 90.1 | Very high | 83.4 | Confident | 132 Ų | 132 | 54 Ų | 54 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.4 | -39.9 | 177 | -65.7 | -28.7 | 0 | 0 | 0 | 111.6 | T1376 W1381 L1382 | T1376-D1378 PolarHBondContact O-N 3.18Å; D1378-W1381 PolarHBondContact O-N 2.94Å; D1378-L1382 VanDerWaalsContact O-CB 3.31Å; D1378-L1382 WeakPolarHBondContact O-CB 3.25Å; D1378-L1382 PolarHBondContact O-N 2.95Å |
| 1379 | E | 88.9 | Confident | 84.2 | Confident | 77 Ų | 77 | 54.3 Ų | 54.3 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 174.8 | -67.5 | 176.9 | 145.1 | 0 | 0 | 111.4 | K1375 T1376 L1382 A1383 L1426 | K1375-E1379 WeakPolarHBondContact CA-OE2 3.35Å; K1375-E1379 WeakPolarHBondContact CB-OE2 3.44Å; K1375-E1379 WeakPolarHBondContact CD-OE2 3.5Å; T1376-E1379 PolarHBondContact N-OE2 2.8Å; T1376-E1379 VanDerWaalsContact N-OE2 3.12Å; T1376-E1379 WeakPolarHBondContact O-CB 3.17Å; T1376-E1379 PolarHBondContact O-N 3Å; T1376-E1379 VanDerWaalsContact O-N 3.08Å; T1376-E1379 WeakPolarHBondContact OG1-CG 3.36Å; E1379-L1382 PolarHBondContact O-N 3.09Å; E1379-A1383 WeakPolarHBondContact O-CB 3.43Å; E1379-A1383 PolarHBondContact O-N 3.41Å; E1379-L1426 HydrophobicContact CB-CD1 3.83Å |
| 1380 | I | 88.6 | Confident | 84.7 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66 | -45 | 176.4 | -64.7 | 173.3 | 0 | 0 | 0 | 110.7 | R1366 I1369 D1370 T1376 D1377 L1382 A1383 L1384 L1400 L1426 | R1366-I1380 HydrophobicContact CG-CD1 4.11Å; I1369-I1380 HydrophobicContact CB-CG2 4.46Å; I1369-I1380 HydrophobicContact CD1-CG2 3.88Å; I1369-I1380 HydrophobicContact CG2-CG1 4.27Å; I1369-I1380 HydrophobicContact CG2-CG2 4.13Å; D1370-I1380 HydrophobicContact CB-CD1 4.35Å; T1376-I1380 PolarHBondContact O-N 2.87Å; T1376-I1380 VanDerWaalsContact O-N 3.12Å; D1377-I1380 PolarHBondContact O-N 2.94Å; I1380-L1382 VanDerWaalsContact C-N 3.34Å; I1380-A1383 PolarHBondContact O-N 3.02Å; I1380-L1384 HydrophobicContact CG2-CD1 4.13Å; I1380-L1384 WeakPolarHBondContact O-CB 3.02Å; I1380-L1384 WeakPolarHBondContact O-CG 3.31Å; I1380-L1384 PolarHBondContact O-N 3.12Å; I1380-L1400 HydrophobicContact CG2-CD1 4.28Å; I1380-L1400 HydrophobicContact CG2-CD2 3.82Å; I1380-L1426 HydrophobicContact CG1-CD2 4.27Å |
| 1381 | W | 91.8 | Very high | 85.2 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 22% | 0.22 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 176.4 | -82.5 | 114.4 | 0 | 0 | 0 | 112.2 | D1377 D1378 L1384 E1385 K1390 V1393 K1399 L1400 | D1377-W1381 PolarHBondContact O-N 3.22Å; D1378-W1381 PolarHBondContact O-N 2.94Å; W1381-L1384 HydrophobicContact CE3-CD1 4.15Å; W1381-L1384 HydrophobicContact CZ3-CD1 4.35Å; W1381-L1384 PolarHBondContact O-N 3.38Å; W1381-E1385 WeakPolarHBondContact O-CB 3.39Å; W1381-E1385 PolarHBondContact O-N 3.35Å; W1381-K1390 HydrophobicContact CE3-CG 4.01Å; W1381-K1390 HydrophobicContact CZ3-CG 4.04Å; W1381-V1393 HydrophobicContact CH2-CB 4.34Å; W1381-V1393 HydrophobicContact CH2-CG1 3.9Å; W1381-V1393 HydrophobicContact CZ3-CB 4.27Å; W1381-V1393 HydrophobicContact CZ3-CG1 4.21Å; W1381-K1399 HydrophobicContact CH2-CB 4.42Å; W1381-K1399 HydrophobicContact CZ2-CB 4.19Å; W1381-K1399 HydrophobicContact CZ2-CD 4.26Å; W1381-L1400 HydrophobicContact CD2-CD2 4.48Å; W1381-L1400 HydrophobicContact CH2-CD2 4.5Å; W1381-L1400 HydrophobicContact CZ2-CD1 4.44Å; W1381-L1400 HydrophobicContact CZ2-CD2 4.07Å; W1381-L1400 HydrophobicContact CZ2-CG 3.88Å |
| 1382 | L | 91.2 | Very high | 86 | Confident | 80 Ų | 80 | 64.3 Ų | 64.3 | 42% | 0.419 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 173.7 | -177.1 | 66.3 | 0 | 0 | 0 | 111 | D1378 E1379 I1380 L1384 E1385 Q1386 | D1378-L1382 VanDerWaalsContact O-CB 3.31Å; D1378-L1382 WeakPolarHBondContact O-CB 3.25Å; D1378-L1382 PolarHBondContact O-N 2.95Å; E1379-L1382 PolarHBondContact O-N 3.09Å; I1380-L1382 VanDerWaalsContact C-N 3.34Å; L1382-L1384 PolarHBondContact O-N 2.82Å; L1382-E1385 WeakPolarHBondContact O-CB 3.46Å; L1382-E1385 PolarHBondContact O-N 3.31Å; L1382-Q1386 VanDerWaalsContact O-CG 3.25Å; L1382-Q1386 WeakPolarHBondContact O-CG 3.44Å; L1382-Q1386 PolarHBondContact O-N 3.39Å |
| 1383 | A | 87.4 | Confident | 86.7 | Confident | 2 Ų | 2 | 62 Ų | 62 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1379 I1380 E1385 Q1386 A1387 A1422 L1426 | E1379-A1383 WeakPolarHBondContact O-CB 3.43Å; E1379-A1383 PolarHBondContact O-N 3.41Å; I1380-A1383 PolarHBondContact O-N 3.02Å; A1383-E1385 VanDerWaalsContact C-N 3.32Å; A1383-Q1386 PolarHBondContact O-N 2.65Å; A1383-A1387 WeakPolarHBondContact O-CB 3.45Å; A1383-A1387 PolarHBondContact O-N 2.67Å; A1383-A1422 WeakPolarHBondContact CB-O 3.25Å; A1383-L1426 HydrophobicContact CB-CB 4.04Å; A1383-L1426 HydrophobicContact CB-CD1 4.18Å |
| 1384 | L | 89 | Confident | 87.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.9 | -32 | 174.4 | -76.9 | 172.2 | 0 | 0 | 0 | 113 | I1365 I1369 I1380 W1381 L1382 A1387 N1388 L1389 K1390 V1393 L1400 A1422 | I1365-L1384 HydrophobicContact CG2-CD1 4.34Å; I1369-L1384 HydrophobicContact CD1-CD1 4.06Å; I1369-L1384 HydrophobicContact CD1-CD2 3.68Å; I1369-L1384 HydrophobicContact CD1-CG 3.81Å; I1380-L1384 HydrophobicContact CG2-CD1 4.13Å; I1380-L1384 WeakPolarHBondContact O-CB 3.02Å; I1380-L1384 WeakPolarHBondContact O-CG 3.31Å; I1380-L1384 PolarHBondContact O-N 3.12Å; W1381-L1384 HydrophobicContact CE3-CD1 4.15Å; W1381-L1384 HydrophobicContact CZ3-CD1 4.35Å; W1381-L1384 PolarHBondContact O-N 3.38Å; L1382-L1384 PolarHBondContact O-N 2.82Å; L1384-A1387 CarbonylContact O-C 3.47Å; L1384-N1388 PolarHBondContact O-N 3.21Å; L1384-L1389 HydrophobicContact CD2-CB 3.86Å; L1384-L1389 HydrophobicContact CD2-CD1 4.19Å; L1384-L1389 PolarHBondContact O-N 3.08Å; L1384-K1390 PolarHBondContact O-N 3.25Å; L1384-K1390 VanDerWaalsContact O-N 3.15Å; L1384-V1393 HydrophobicContact CD1-CB 4.39Å; L1384-V1393 HydrophobicContact CD1-CG1 4.16Å; L1384-V1393 HydrophobicContact CD1-CG2 4.24Å; L1384-V1393 HydrophobicContact CD2-CG2 4.07Å; L1384-L1400 HydrophobicContact CD1-CD2 3.55Å; L1384-A1422 HydrophobicContact CD2-CB 4.17Å |
| 1385 | E | 90.8 | Very high | 87.6 | Confident | 94 Ų | 94 | 54.6 Ų | 54.6 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.3 | -48.7 | 174 | -171.3 | 155.4 | -144.7 | 0 | 0 | 111.3 | W1381 L1382 A1383 A1387 N1388 K1390 | W1381-E1385 WeakPolarHBondContact O-CB 3.39Å; W1381-E1385 PolarHBondContact O-N 3.35Å; L1382-E1385 WeakPolarHBondContact O-CB 3.46Å; L1382-E1385 PolarHBondContact O-N 3.31Å; A1383-E1385 VanDerWaalsContact C-N 3.32Å; E1385-A1387 PolarHBondContact O-N 3.27Å; E1385-N1388 PolarHBondContact O-N 2.91Å; E1385-K1390 HydrophobicContact CB-CB 4.43Å; E1385-K1390 HydrophobicContact CB-CD 3.88Å; E1385-K1390 HydrophobicContact CG-CD 3.92Å; E1385-K1390 IonicContact OE1-NZ 3.19Å; E1385-K1390 PolarHBondContact OE1-NZ 2.88Å; E1385-K1390 IonicContact OE2-NZ 2.8Å; E1385-K1390 PolarHBondContact OE2-NZ 2.87Å |
| 1386 | Q | 87.8 | Confident | 87.7 | Confident | 40 Ų | 40 | 52 Ų | 52 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -29.8 | 177 | -68.1 | 175.6 | -14.7 | 0 | 0 | 112.5 | L1382 A1383 L1425 T1452 Y1456 | L1382-Q1386 VanDerWaalsContact O-CG 3.25Å; L1382-Q1386 WeakPolarHBondContact O-CG 3.44Å; L1382-Q1386 PolarHBondContact O-N 3.39Å; A1383-Q1386 PolarHBondContact O-N 2.65Å; Q1386-L1425 HydrophobicContact CB-CD1 3.68Å; Q1386-T1452 WeakPolarHBondContact O-CG2 3.31Å; Q1386-T1452 PolarHBondContact O-OG1 3.1Å; Q1386-Y1456 HydrophobicContact CB-CE1 4.32Å; Q1386-Y1456 HydrophobicContact CB-CE2 3.98Å; Q1386-Y1456 HydrophobicContact CG-CD1 4.48Å; Q1386-Y1456 HydrophobicContact CG-CE1 3.76Å; Q1386-Y1456 HydrophobicContact CG-CE2 4.25Å |
| 1387 | A | 84.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 15.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1383 L1384 E1385 L1389 M1418 L1421 A1422 L1425 | A1383-A1387 WeakPolarHBondContact O-CB 3.45Å; A1383-A1387 PolarHBondContact O-N 2.67Å; L1384-A1387 CarbonylContact O-C 3.47Å; E1385-A1387 PolarHBondContact O-N 3.27Å; A1387-L1389 PolarHBondContact O-N 2.95Å; A1387-M1418 WeakPolarHBondContact O-CE 3.22Å; A1387-L1421 HydrophobicContact CB-CB 4.41Å; A1387-A1422 HydrophobicContact CB-CB 3.72Å; A1387-L1425 HydrophobicContact CB-CD1 4.1Å |
| 1388 | N | 85.3 | Confident | 86.8 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 43% | 0.428 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 25.1 | 177.7 | -62.3 | -53.1 | 0 | 0 | 0 | 115.8 | L1384 E1385 M1418 | L1384-N1388 PolarHBondContact O-N 3.21Å; E1385-N1388 PolarHBondContact O-N 2.91Å; N1388-M1418 HydrophobicContact CB-CE 3.85Å |
| 1389 | L | 85.9 | Confident | 86.7 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | trans | -104.9 | -12.6 | -179.1 | -87.2 | 170.7 | 0 | 0 | 0 | 114.3 | L1384 A1387 P1391 F1392 V1393 Q1415 M1418 I1419 | L1384-L1389 HydrophobicContact CD2-CB 3.86Å; L1384-L1389 HydrophobicContact CD2-CD1 4.19Å; L1384-L1389 PolarHBondContact O-N 3.08Å; A1387-L1389 PolarHBondContact O-N 2.95Å; L1389-P1391 VanDerWaalsContact C-CD 3.49Å; L1389-F1392 HydrophobicContact CD2-CB 4.28Å; L1389-F1392 HydrophobicContact CD2-CD1 3.84Å; L1389-F1392 HydrophobicContact CD2-CG 4.38Å; L1389-F1392 WeakPolarHBondContact O-CB 3.44Å; L1389-F1392 PolarHBondContact O-N 3.46Å; L1389-F1392 VanDerWaalsContact O-N 3.09Å; L1389-V1393 HydrophobicContact CB-CG2 4.34Å; L1389-V1393 WeakPolarHBondContact O-CG2 3.05Å; L1389-V1393 PolarHBondContact O-N 2.94Å; L1389-Q1415 HydrophobicContact CD2-CG 4.48Å; L1389-M1418 HydrophobicContact CD1-CB 3.38Å; L1389-M1418 HydrophobicContact CD2-CB 4.12Å; L1389-M1418 HydrophobicContact CG-CB 3.59Å; L1389-I1419 HydrophobicContact CD1-CB 4.25Å; L1389-I1419 HydrophobicContact CD1-CG1 3.51Å; L1389-I1419 VanDerWaalsContact CD1-N 3.26Å | ||
| 1390 | K | 87.8 | Confident | 86.6 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 32% | 0.317 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -46.4 | -49.1 | 177.8 | -173.9 | 171.3 | -176.8 | 178.6 | 0 | 114.2 | W1381 L1384 E1385 F1392 V1393 S1394 | W1381-K1390 HydrophobicContact CE3-CG 4.01Å; W1381-K1390 HydrophobicContact CZ3-CG 4.04Å; L1384-K1390 PolarHBondContact O-N 3.25Å; L1384-K1390 VanDerWaalsContact O-N 3.15Å; E1385-K1390 HydrophobicContact CB-CB 4.43Å; E1385-K1390 HydrophobicContact CB-CD 3.88Å; E1385-K1390 HydrophobicContact CG-CD 3.92Å; E1385-K1390 IonicContact OE1-NZ 3.19Å; E1385-K1390 PolarHBondContact OE1-NZ 2.88Å; E1385-K1390 IonicContact OE2-NZ 2.8Å; E1385-K1390 PolarHBondContact OE2-NZ 2.87Å; K1390-F1392 PolarHBondContact O-N 3.42Å; K1390-V1393 PolarHBondContact O-N 3.34Å; K1390-S1394 WeakPolarHBondContact O-CB 3.48Å; K1390-S1394 PolarHBondContact O-N 2.97Å; K1390-S1394 PolarHBondContact O-OG 3.01Å; K1390-S1394 VanDerWaalsContact O-OG 3.1Å |
| 1391 | P | 86.7 | Confident | 86.3 | Confident | 94 Ų | 94 | 56.1 Ų | 56.1 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.9 | -41.4 | 179.4 | 22.3 | -32 | 0 | 0 | 0 | 112.3 | L1389 S1394 G1395 | L1389-P1391 VanDerWaalsContact C-CD 3.49Å; P1391-S1394 WeakPolarHBondContact CA-OG 3.34Å; P1391-S1394 PolarHBondContact O-OG 3.44Å; P1391-G1395 PolarHBondContact O-N 3.42Å |
| 1392 | F | 85.2 | Confident | 85.8 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 25% | 0.25 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -52.9 | 177.2 | 172.5 | -106.6 | 0 | 0 | 0 | 112 | L1389 K1390 S1394 G1395 L1396 L1411 Q1415 | L1389-F1392 HydrophobicContact CD2-CB 4.28Å; L1389-F1392 HydrophobicContact CD2-CD1 3.84Å; L1389-F1392 HydrophobicContact CD2-CG 4.38Å; L1389-F1392 WeakPolarHBondContact O-CB 3.44Å; L1389-F1392 PolarHBondContact O-N 3.46Å; L1389-F1392 VanDerWaalsContact O-N 3.09Å; K1390-F1392 PolarHBondContact O-N 3.42Å; F1392-S1394 VanDerWaalsContact C-N 3.28Å; F1392-S1394 PolarHBondContact O-N 3.41Å; F1392-G1395 PolarHBondContact O-N 2.64Å; F1392-G1395 VanDerWaalsContact O-N 3.09Å; F1392-L1396 HydrophobicContact CD1-CD1 4.27Å; F1392-L1396 HydrophobicContact CE1-CD1 3.72Å; F1392-L1396 HydrophobicContact CE1-CG 4.41Å; F1392-L1396 HydrophobicContact CE2-CD2 4.24Å; F1392-L1396 HydrophobicContact CZ-CD1 3.92Å; F1392-L1396 HydrophobicContact CZ-CD2 4.08Å; F1392-L1396 HydrophobicContact CZ-CG 4.27Å; F1392-L1396 PolarHBondContact O-N 2.95Å; F1392-L1411 HydrophobicContact CE1-CD2 3.66Å; F1392-L1411 HydrophobicContact CZ-CD2 3.58Å; F1392-Q1415 HydrophobicContact CE1-CG 4.47Å |
| 1393 | V | 86.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.3 | -33.5 | -178.1 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | I1365 W1381 L1384 L1389 K1390 G1395 L1396 L1400 | I1365-V1393 HydrophobicContact CD1-CB 4.46Å; I1365-V1393 HydrophobicContact CD1-CG1 3.85Å; I1365-V1393 HydrophobicContact CD1-CG2 3.98Å; I1365-V1393 HydrophobicContact CG2-CG1 4.25Å; I1365-V1393 HydrophobicContact CG2-CG2 4.45Å; W1381-V1393 HydrophobicContact CH2-CB 4.34Å; W1381-V1393 HydrophobicContact CH2-CG1 3.9Å; W1381-V1393 HydrophobicContact CZ3-CB 4.27Å; W1381-V1393 HydrophobicContact CZ3-CG1 4.21Å; L1384-V1393 HydrophobicContact CD1-CB 4.39Å; L1384-V1393 HydrophobicContact CD1-CG1 4.16Å; L1384-V1393 HydrophobicContact CD1-CG2 4.24Å; L1384-V1393 HydrophobicContact CD2-CG2 4.07Å; L1389-V1393 HydrophobicContact CB-CG2 4.34Å; L1389-V1393 WeakPolarHBondContact O-CG2 3.05Å; L1389-V1393 PolarHBondContact O-N 2.94Å; K1390-V1393 PolarHBondContact O-N 3.34Å; V1393-G1395 VanDerWaalsContact C-N 3.27Å; V1393-G1395 PolarHBondContact O-N 2.71Å; V1393-L1396 PolarHBondContact O-N 3.28Å; V1393-L1400 HydrophobicContact CG1-CD2 4.2Å |
| 1394 | S | 87.9 | Confident | 83.7 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.5 | -25.4 | 175.8 | 72.3 | 0 | 0 | 0 | 0 | 113.9 | K1390 P1391 F1392 | K1390-S1394 WeakPolarHBondContact O-CB 3.48Å; K1390-S1394 PolarHBondContact O-N 2.97Å; K1390-S1394 PolarHBondContact O-OG 3.01Å; K1390-S1394 VanDerWaalsContact O-OG 3.1Å; P1391-S1394 WeakPolarHBondContact CA-OG 3.34Å; P1391-S1394 PolarHBondContact O-OG 3.44Å; F1392-S1394 VanDerWaalsContact C-N 3.28Å; F1392-S1394 PolarHBondContact O-N 3.41Å |
| 1395 | G | 85.5 | Confident | 82.2 | Confident | 66 Ų | 66 | 59.6 Ų | 59.6 | 68% | 0.68 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -87.5 | -12.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1391 F1392 V1393 | P1391-G1395 PolarHBondContact O-N 3.42Å; F1392-G1395 PolarHBondContact O-N 2.64Å; F1392-G1395 VanDerWaalsContact O-N 3.09Å; V1393-G1395 VanDerWaalsContact C-N 3.27Å; V1393-G1395 PolarHBondContact O-N 2.71Å |
| 1396 | L | 84.4 | Confident | 80.2 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -75.3 | 146.9 | 176.9 | -69.3 | 174.1 | 0 | 0 | 0 | 111.6 | I1365 F1392 V1393 E1398 K1399 F1402 | I1365-L1396 HydrophobicContact CD1-CD1 3.65Å; F1392-L1396 HydrophobicContact CD1-CD1 4.27Å; F1392-L1396 HydrophobicContact CE1-CD1 3.72Å; F1392-L1396 HydrophobicContact CE1-CG 4.41Å; F1392-L1396 HydrophobicContact CE2-CD2 4.24Å; F1392-L1396 HydrophobicContact CZ-CD1 3.92Å; F1392-L1396 HydrophobicContact CZ-CD2 4.08Å; F1392-L1396 HydrophobicContact CZ-CG 4.27Å; F1392-L1396 PolarHBondContact O-N 2.95Å; V1393-L1396 PolarHBondContact O-N 3.28Å; L1396-E1398 PolarHBondContact O-N 3.01Å; L1396-K1399 PolarHBondContact O-N 3.48Å; L1396-F1402 HydrophobicContact CB-CB 4.44Å; L1396-F1402 HydrophobicContact CB-CD2 4.1Å; L1396-F1402 HydrophobicContact CB-CG 4.22Å; L1396-F1402 HydrophobicContact CD1-CB 4.33Å; L1396-F1402 HydrophobicContact CD1-CD1 3.77Å; L1396-F1402 HydrophobicContact CD1-CD2 4.41Å; L1396-F1402 HydrophobicContact CD1-CE1 4.12Å; L1396-F1402 HydrophobicContact CD1-CG 3.91Å; L1396-F1402 HydrophobicContact CD2-CD2 4.39Å; L1396-F1402 HydrophobicContact CD2-CE1 4.36Å; L1396-F1402 HydrophobicContact CD2-CE2 4.1Å; L1396-F1402 HydrophobicContact CD2-CZ 4.07Å |
| 1397 | P | 77.9 | Confident | 78.3 | Confident | 89 Ų | 89 | 60 Ų | 60 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 139.1 | 167.6 | 26.4 | -31.3 | 0 | 0 | 0 | 109.4 | K1399 F1402 | P1397-K1399 PolarHBondContact O-N 2.99Å; P1397-K1399 VanDerWaalsContact O-N 3.09Å; P1397-F1402 HydrophobicContact CG-CD2 3.98Å; P1397-F1402 HydrophobicContact CG-CE2 3.98Å; P1397-F1402 WeakPolarHBondContact O-CD2 3.42Å |
| 1398 | E | 80 | Confident | 77 | Confident | 150 Ų | 150 | 60 Ų | 60 | 70% | 0.701 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 2 | -179.8 | -52.3 | -178.7 | 170.5 | 0 | 0 | 116.4 | L1396 L1400 D1401 | L1396-E1398 PolarHBondContact O-N 3.01Å; E1398-L1400 PolarHBondContact O-N 2.99Å; E1398-L1400 VanDerWaalsContact O-N 3.1Å; E1398-D1401 HydrophobicContact CB-CB 4.43Å; E1398-D1401 PolarHBondContact O-N 3.46Å |
| 1399 | K | 88.3 | Confident | 75.6 | Confident | 116 Ų | 116 | 64 Ų | 64 | 50% | 0.504 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | 51.6 | -111.5 | 174 | -57.4 | 179.2 | -178 | -179.7 | 0 | 112.9 | W1381 L1396 P1397 D1401 F1402 | W1381-K1399 HydrophobicContact CH2-CB 4.42Å; W1381-K1399 HydrophobicContact CZ2-CB 4.19Å; W1381-K1399 HydrophobicContact CZ2-CD 4.26Å; L1396-K1399 PolarHBondContact O-N 3.48Å; P1397-K1399 PolarHBondContact O-N 2.99Å; P1397-K1399 VanDerWaalsContact O-N 3.09Å; K1399-D1401 PolarHBondContact O-N 3.26Å; K1399-F1402 WeakPolarHBondContact O-CB 3.42Å; K1399-F1402 PolarHBondContact O-N 3.44Å |
| 1400 | L | 85.7 | Confident | 74.8 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 5% | 0.047 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -67 | -25.1 | -179.3 | -65.5 | -178.4 | 0 | 0 | 0 | 112.8 | I1365 R1366 D1377 I1380 W1381 L1384 V1393 E1398 F1402 | I1365-L1400 CarbonylContact C-O 3.59Å; I1365-L1400 WeakPolarHBondContact CA-O 2.87Å; I1365-L1400 WeakPolarHBondContact CB-O 3.19Å; I1365-L1400 HydrophobicContact CG2-CD2 4.25Å; I1365-L1400 PolarHBondContact N-O 3.36Å; I1365-L1400 VanDerWaalsContact N-O 3.13Å; R1366-L1400 HydrophobicContact CB-CB 4.29Å; R1366-L1400 PolarHBondContact N-O 3.05Å; D1377-L1400 HydrophobicContact CB-CD1 4.35Å; I1380-L1400 HydrophobicContact CG2-CD1 4.28Å; I1380-L1400 HydrophobicContact CG2-CD2 3.82Å; W1381-L1400 HydrophobicContact CD2-CD2 4.48Å; W1381-L1400 HydrophobicContact CH2-CD2 4.5Å; W1381-L1400 HydrophobicContact CZ2-CD1 4.44Å; W1381-L1400 HydrophobicContact CZ2-CD2 4.07Å; W1381-L1400 HydrophobicContact CZ2-CG 3.88Å; L1384-L1400 HydrophobicContact CD1-CD2 3.55Å; V1393-L1400 HydrophobicContact CG1-CD2 4.2Å; E1398-L1400 PolarHBondContact O-N 2.99Å; E1398-L1400 VanDerWaalsContact O-N 3.1Å; L1400-F1402 VanDerWaalsContact C-N 3.32Å |
| 1401 | D | 82.8 | Confident | 73.8 | Confident | 73 Ų | 73 | 65 Ų | 65 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -92.2 | 6.1 | -178.3 | -65.7 | -39.2 | 0 | 0 | 0 | 112.8 | T1364 R1366 E1398 K1399 E1403 | T1364-D1401 WeakPolarHBondContact CG2-O 3.45Å; R1366-D1401 IonicContact CZ-OD1 3.74Å; R1366-D1401 IonicContact NH1-OD1 3.45Å; R1366-D1401 PolarHBondContact NH1-OD1 3.31Å; R1366-D1401 IonicContact NH1-OD2 3.55Å; R1366-D1401 PolarHBondContact NH1-OD2 2.99Å; E1398-D1401 HydrophobicContact CB-CB 4.43Å; E1398-D1401 PolarHBondContact O-N 3.46Å; K1399-D1401 PolarHBondContact O-N 3.26Å; D1401-E1403 PolarHBondContact O-N 3.49Å |
| 1402 | F | 81.1 | Confident | 73 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | trans | -54.2 | 125.5 | 174.7 | -179.8 | -102.1 | 0 | 0 | 0 | 112.1 | T1364 I1365 L1396 P1397 K1399 L1400 V1404 | T1364-F1402 WeakPolarHBondContact CA-O 3.36Å; I1365-F1402 HydrophobicContact CD1-CB 4.07Å; I1365-F1402 HydrophobicContact CD1-CD1 4.23Å; I1365-F1402 HydrophobicContact CG1-CB 4.41Å; I1365-F1402 PolarHBondContact N-O 2.85Å; L1396-F1402 HydrophobicContact CB-CB 4.44Å; L1396-F1402 HydrophobicContact CB-CD2 4.1Å; L1396-F1402 HydrophobicContact CB-CG 4.22Å; L1396-F1402 HydrophobicContact CD1-CB 4.33Å; L1396-F1402 HydrophobicContact CD1-CD1 3.77Å; L1396-F1402 HydrophobicContact CD1-CD2 4.41Å; L1396-F1402 HydrophobicContact CD1-CE1 4.12Å; L1396-F1402 HydrophobicContact CD1-CG 3.91Å; L1396-F1402 HydrophobicContact CD2-CD2 4.39Å; L1396-F1402 HydrophobicContact CD2-CE1 4.36Å; L1396-F1402 HydrophobicContact CD2-CE2 4.1Å; L1396-F1402 HydrophobicContact CD2-CZ 4.07Å; P1397-F1402 HydrophobicContact CG-CD2 3.98Å; P1397-F1402 HydrophobicContact CG-CE2 3.98Å; P1397-F1402 WeakPolarHBondContact O-CD2 3.42Å; K1399-F1402 WeakPolarHBondContact O-CB 3.42Å; K1399-F1402 PolarHBondContact O-N 3.44Å; L1400-F1402 VanDerWaalsContact C-N 3.32Å; F1402-V1404 HydrophobicContact CD1-CG2 4.42Å; F1402-V1404 PolarHBondContact O-N 3.48Å | ||
| 1403 | E | 68 | Low | 72 | Confident | 132 Ų | 132 | 63.2 Ų | 63.2 | 62% | 0.617 | 36% | 0.356 | S | S | * | . | B | Isolated β-bridge | trans | -76.1 | 111.2 | -179.4 | -164.5 | 178.2 | 178.9 | 0 | 0 | 110.9 | K495 D1401 | K495-E1403 IonicContact NZ-OE1 2.72Å; D1401-E1403 PolarHBondContact O-N 3.49Å |
| 1404 | V | 66 | Low | 71 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 11% | 0.109 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 125.3 | 173.9 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | F1362 G1363 I1365 F1402 L1411 | F1362-V1404 HydrophobicContact CD1-CG1 3.78Å; F1362-V1404 HydrophobicContact CE1-CG1 3.82Å; G1363-V1404 WeakPolarHBondContact O-CB 3.35Å; G1363-V1404 WeakPolarHBondContact O-CG2 3.21Å; I1365-V1404 HydrophobicContact CG1-CG2 4.31Å; F1402-V1404 HydrophobicContact CD1-CG2 4.42Å; F1402-V1404 PolarHBondContact O-N 3.48Å; V1404-L1411 HydrophobicContact CG1-CD1 3.83Å; V1404-L1411 HydrophobicContact CG1-CG 4.47Å; V1404-L1411 HydrophobicContact CG2-CD1 4.1Å |
| 1405 | S | 58.2 | Low | 70.5 | Confident | 32 Ų | 32 | 63.1 Ų | 63.1 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 167.4 | -179.1 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | G1407 G1408 E1409 N1410 | S1405-G1407 PolarHBondContact O-N 3.35Å; S1405-G1408 WeakPolarHBondContact O-CA 3.38Å; S1405-G1408 PolarHBondContact O-N 3.05Å; S1405-E1409 PolarHBondContact OG-N 3.1Å; S1405-N1410 VanDerWaalsContact CB-CG 3.46Å; S1405-N1410 WeakPolarHBondContact CB-ND2 3.39Å; S1405-N1410 VanDerWaalsContact CB-OD1 3.26Å; S1405-N1410 WeakPolarHBondContact CB-OD1 3.49Å; S1405-N1410 PolarHBondContact OG-N 3.48Å; S1405-N1410 VanDerWaalsContact OG-N 3.07Å; S1405-N1410 PolarHBondContact OG-ND2 2.93Å; S1405-N1410 PolarHBondContact OG-OD1 2.98Å |
| 1406 | E | 48 | Very low | 69.8 | Low | 110 Ų | 110 | 61 Ų | 61 | 51% | 0.514 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -52.2 | 125.2 | 178.4 | -66.7 | -175.3 | -174.6 | 0 | 0 | 110.9 | G1408 | E1406-G1408 PolarHBondContact O-N 2.97Š|
| 1407 | G | 48.9 | Very low | 69.1 | Low | 33 Ų | 33 | 60.1 Ų | 60.1 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | 72.7 | 1.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1405 E1409 R1416 | S1405-G1407 PolarHBondContact O-N 3.35Å; G1407-E1409 VanDerWaalsContact C-N 3.34Å; G1407-R1416 VanDerWaalsContact O-CZ 3.23Å; G1407-R1416 PolarHBondContact O-NH1 2.83Å |
| 1408 | G | 56.5 | Low | 69.2 | Low | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | 72 | 24.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1405 E1406 N1410 L1411 R1416 | S1405-G1408 WeakPolarHBondContact O-CA 3.38Å; S1405-G1408 PolarHBondContact O-N 3.05Å; E1406-G1408 PolarHBondContact O-N 2.97Å; G1408-N1410 PolarHBondContact O-N 3.3Å; G1408-L1411 PolarHBondContact O-N 3.26Å; G1408-L1411 VanDerWaalsContact O-O 3.1Å; G1408-R1416 PolarHBondContact O-NE 2.87Å; G1408-R1416 PolarHBondContact O-NH2 3.23Å |
| 1409 | E | 56.1 | Low | 69.1 | Low | 162 Ų | 162 | 49.3 Ų | 49.3 | 76% | 0.757 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -25.9 | -177.4 | -74.2 | -175.5 | 175.3 | 0 | 0 | 113.5 | S1405 G1407 L1411 | S1405-E1409 PolarHBondContact OG-N 3.1Å; G1407-E1409 VanDerWaalsContact C-N 3.34Å; E1409-L1411 VanDerWaalsContact C-N 3.26Å; E1409-L1411 PolarHBondContact O-N 2.85Å |
| 1410 | N | 69.5 | Low | 68.4 | Low | 97 Ų | 97 | 44.4 Ų | 44.4 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -8.4 | 178 | -60.3 | 3.2 | 0 | 0 | 0 | 113.7 | S1405 G1408 | S1405-N1410 VanDerWaalsContact CB-CG 3.46Å; S1405-N1410 WeakPolarHBondContact CB-ND2 3.39Å; S1405-N1410 VanDerWaalsContact CB-OD1 3.26Å; S1405-N1410 WeakPolarHBondContact CB-OD1 3.49Å; S1405-N1410 PolarHBondContact OG-N 3.48Å; S1405-N1410 VanDerWaalsContact OG-N 3.07Å; S1405-N1410 PolarHBondContact OG-ND2 2.93Å; S1405-N1410 PolarHBondContact OG-OD1 2.98Å; G1408-N1410 PolarHBondContact O-N 3.3Å |
| 1411 | L | 66.8 | Low | 68 | Low | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -115.9 | 140.5 | -178.6 | -59.9 | 174.4 | 0 | 0 | 0 | 109.6 | F1392 V1404 G1408 E1409 Q1415 R1416 I1419 | F1392-L1411 HydrophobicContact CE1-CD2 3.66Å; F1392-L1411 HydrophobicContact CZ-CD2 3.58Å; V1404-L1411 HydrophobicContact CG1-CD1 3.83Å; V1404-L1411 HydrophobicContact CG1-CG 4.47Å; V1404-L1411 HydrophobicContact CG2-CD1 4.1Å; G1408-L1411 PolarHBondContact O-N 3.26Å; G1408-L1411 VanDerWaalsContact O-O 3.1Å; E1409-L1411 VanDerWaalsContact C-N 3.26Å; E1409-L1411 PolarHBondContact O-N 2.85Å; L1411-Q1415 HydrophobicContact CB-CB 4.43Å; L1411-R1416 HydrophobicContact CB-CG 3.93Å; L1411-R1416 PolarHBondContact O-NE 3.45Å; L1411-R1416 PolarHBondContact O-NH2 3.45Å; L1411-I1419 HydrophobicContact CD1-CD1 3.61Å |
| 1412 | S | 69.9 | Low | 67.9 | Low | 63 Ų | 63 | 41.1 Ų | 41.1 | 44% | 0.441 | 22% | 0.223 | S | C | . | . | trans | -65.4 | 158 | 172.5 | 80.4 | 0 | 0 | 0 | 0 | 110.9 | G1414 Q1415 R1416 | S1412-G1414 VanDerWaalsContact C-N 3.31Å; S1412-G1414 PolarHBondContact O-N 2.64Å; S1412-Q1415 PolarHBondContact O-N 3.16Å; S1412-Q1415 VanDerWaalsContact OG-CG 3.23Å; S1412-Q1415 WeakPolarHBondContact OG-CG 3.44Å; S1412-Q1415 PolarHBondContact OG-N 3.3Å; S1412-Q1415 PolarHBondContact OG-OE1 3.29Å; S1412-R1416 WeakPolarHBondContact O-CG 3.1Å; S1412-R1416 PolarHBondContact O-N 3.12Å | ||
| 1413 | V | 63.4 | Low | 67.7 | Low | 50 Ų | 50 | 39.7 Ų | 39.7 | 30% | 0.303 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.9 | -43.1 | -179.7 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | R1416 Q1417 A1440 | V1413-R1416 WeakPolarHBondContact O-CB 3.22Å; V1413-R1416 PolarHBondContact O-N 3.49Å; V1413-Q1417 PolarHBondContact O-N 2.93Å; V1413-A1440 HydrophobicContact CG1-CB 3.74Å |
| 1414 | G | 66.7 | Low | 68 | Low | 10 Ų | 10 | 34 Ų | 34 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1412 R1416 Q1417 M1418 | S1412-G1414 VanDerWaalsContact C-N 3.31Å; S1412-G1414 PolarHBondContact O-N 2.64Å; G1414-R1416 VanDerWaalsContact C-N 3.32Å; G1414-R1416 PolarHBondContact O-N 3.35Å; G1414-Q1417 PolarHBondContact O-N 3.24Å; G1414-M1418 WeakPolarHBondContact O-CG 3.47Å; G1414-M1418 PolarHBondContact O-N 3.21Å |
| 1415 | Q | 76.2 | Confident | 68.7 | Low | 50 Ų | 50 | 33.7 Ų | 33.7 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 176.3 | -74 | 165.1 | -7.2 | 0 | 0 | 112.1 | L1389 F1392 L1411 S1412 Q1417 M1418 I1419 | L1389-Q1415 HydrophobicContact CD2-CG 4.48Å; F1392-Q1415 HydrophobicContact CE1-CG 4.47Å; L1411-Q1415 HydrophobicContact CB-CB 4.43Å; S1412-Q1415 PolarHBondContact O-N 3.16Å; S1412-Q1415 VanDerWaalsContact OG-CG 3.23Å; S1412-Q1415 WeakPolarHBondContact OG-CG 3.44Å; S1412-Q1415 PolarHBondContact OG-N 3.3Å; S1412-Q1415 PolarHBondContact OG-OE1 3.29Å; Q1415-Q1417 VanDerWaalsContact C-N 3.29Å; Q1415-Q1417 PolarHBondContact O-N 3.4Å; Q1415-M1418 PolarHBondContact O-N 3.27Å; Q1415-I1419 WeakPolarHBondContact O-CG1 3.2Å; Q1415-I1419 PolarHBondContact O-N 3.43Å; Q1415-I1419 VanDerWaalsContact O-N 3.07Å |
| 1416 | R | 71.7 | Confident | 69.9 | Low | 20 Ų | 20 | 32.9 Ų | 32.9 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58 | -45.3 | 177.1 | -67.5 | 175.8 | -165.9 | 170.6 | 6.5 | 110.6 | D515 F1362 G1407 G1408 L1411 S1412 V1413 G1414 I1419 C1420 | D515-R1416 IonicContact OD1-NH1 2.8Å; D515-R1416 PolarHBondContact OD1-NH1 2.76Å; F1362-R1416 HydrophobicContact CZ-CG 4.45Å; G1407-R1416 VanDerWaalsContact O-CZ 3.23Å; G1407-R1416 PolarHBondContact O-NH1 2.83Å; G1408-R1416 PolarHBondContact O-NE 2.87Å; G1408-R1416 PolarHBondContact O-NH2 3.23Å; L1411-R1416 HydrophobicContact CB-CG 3.93Å; L1411-R1416 PolarHBondContact O-NE 3.45Å; L1411-R1416 PolarHBondContact O-NH2 3.45Å; S1412-R1416 WeakPolarHBondContact O-CG 3.1Å; S1412-R1416 PolarHBondContact O-N 3.12Å; V1413-R1416 WeakPolarHBondContact O-CB 3.22Å; V1413-R1416 PolarHBondContact O-N 3.49Å; G1414-R1416 VanDerWaalsContact C-N 3.32Å; G1414-R1416 PolarHBondContact O-N 3.35Å; R1416-I1419 WeakPolarHBondContact O-CB 3.35Å; R1416-I1419 PolarHBondContact O-N 3.21Å; R1416-C1420 PolarHBondContact O-N 3.24Å; R1416-C1420 PolarHBondContact O-SG 2.89Å |
| 1417 | Q | 70.6 | Confident | 71.1 | Confident | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.047 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.8 | -39.1 | 178.5 | -67.6 | 175.4 | -10.9 | 0 | 0 | 113 | L516 V1413 G1414 Q1415 I1419 C1420 L1421 A1437 V1441 I1449 | L516-Q1417 HydrophobicContact CD1-CG 4.5Å; L516-Q1417 HydrophobicContact CD2-CG 4.34Å; V1413-Q1417 PolarHBondContact O-N 2.93Å; G1414-Q1417 PolarHBondContact O-N 3.24Å; Q1415-Q1417 VanDerWaalsContact C-N 3.29Å; Q1415-Q1417 PolarHBondContact O-N 3.4Å; Q1417-I1419 VanDerWaalsContact C-N 3.27Å; Q1417-I1419 PolarHBondContact O-N 3.23Å; Q1417-C1420 WeakPolarHBondContact O-CA 3.33Å; Q1417-C1420 WeakPolarHBondContact O-CB 3.47Å; Q1417-C1420 PolarHBondContact O-N 2.88Å; Q1417-L1421 PolarHBondContact O-N 3.18Å; Q1417-A1437 PolarHBondContact NE2-O 3.2Å; Q1417-A1437 PolarHBondContact OE1-O 2.85Å; Q1417-V1441 VanDerWaalsContact CD-CG2 3.4Å; Q1417-V1441 VanDerWaalsContact NE2-CG2 3.28Å; Q1417-I1449 HydrophobicContact CB-CD1 4.28Å |
| 1418 | M | 78.6 | Confident | 72.3 | Confident | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.044 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -33.9 | 175.4 | -65 | -60.8 | -93 | 0 | 0 | 112 | A1387 N1388 L1389 G1414 Q1415 C1420 L1421 A1422 T1445 L1448 I1449 | A1387-M1418 WeakPolarHBondContact O-CE 3.22Å; N1388-M1418 HydrophobicContact CB-CE 3.85Å; L1389-M1418 HydrophobicContact CD1-CB 3.38Å; L1389-M1418 HydrophobicContact CD2-CB 4.12Å; L1389-M1418 HydrophobicContact CG-CB 3.59Å; G1414-M1418 WeakPolarHBondContact O-CG 3.47Å; G1414-M1418 PolarHBondContact O-N 3.21Å; Q1415-M1418 PolarHBondContact O-N 3.27Å; M1418-C1420 PolarHBondContact O-N 2.89Å; M1418-L1421 WeakPolarHBondContact O-CB 3.36Å; M1418-L1421 PolarHBondContact O-N 2.99Å; M1418-L1421 HydrophobicContact SD-CD2 3.98Å; M1418-A1422 PolarHBondContact O-N 3.4Å; M1418-T1445 HydrophobicContact CG-CG2 4.13Å; M1418-T1445 HydrophobicContact SD-CG2 4.4Å; M1418-L1448 HydrophobicContact CE-CB 4.19Å; M1418-I1449 HydrophobicContact SD-CD1 4.17Å; M1418-I1449 HydrophobicContact SD-CG1 3.36Å; M1418-I1449 WeakPolarHBondContact SD-CG1 3.45Å |
| 1419 | I | 78.9 | Confident | 73.1 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.4 | -27.7 | 172.8 | -64.2 | 170.2 | 0 | 0 | 0 | 110.7 | N1368 I1369 L1389 L1411 Q1415 R1416 Q1417 R1423 | N1368-I1419 HydrophobicContact CB-CG2 4.2Å; I1369-I1419 HydrophobicContact CG1-CG2 4.29Å; L1389-I1419 HydrophobicContact CD1-CB 4.25Å; L1389-I1419 HydrophobicContact CD1-CG1 3.51Å; L1389-I1419 VanDerWaalsContact CD1-N 3.26Å; L1411-I1419 HydrophobicContact CD1-CD1 3.61Å; Q1415-I1419 WeakPolarHBondContact O-CG1 3.2Å; Q1415-I1419 PolarHBondContact O-N 3.43Å; Q1415-I1419 VanDerWaalsContact O-N 3.07Å; R1416-I1419 WeakPolarHBondContact O-CB 3.35Å; R1416-I1419 PolarHBondContact O-N 3.21Å; Q1417-I1419 VanDerWaalsContact C-N 3.27Å; Q1417-I1419 PolarHBondContact O-N 3.23Å; I1419-R1423 WeakPolarHBondContact O-CG 3.5Å; I1419-R1423 PolarHBondContact O-N 3.46Å; I1419-R1423 PolarHBondContact O-NE 2.84Å |
| 1420 | C | 72.1 | Confident | 74.4 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 9% | 0.088 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.8 | -39.9 | 175.4 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | L516 L1360 R1416 Q1417 M1418 A1422 R1423 A1424 | L516-C1420 HydrophobicContact CD2-CB 3.99Å; L516-C1420 WeakPolarHBondContact CD2-SG 3.4Å; L1360-C1420 HydrophobicContact CD2-CB 3.23Å; L1360-C1420 WeakPolarHBondContact CD2-SG 3.41Å; L1360-C1420 HydrophobicContact CG-CB 4.16Å; R1416-C1420 PolarHBondContact O-N 3.24Å; R1416-C1420 PolarHBondContact O-SG 2.89Å; Q1417-C1420 WeakPolarHBondContact O-CA 3.33Å; Q1417-C1420 WeakPolarHBondContact O-CB 3.47Å; Q1417-C1420 PolarHBondContact O-N 2.88Å; M1418-C1420 PolarHBondContact O-N 2.89Å; C1420-A1422 VanDerWaalsContact C-N 3.35Å; C1420-R1423 VanDerWaalsContact O-CB 3.32Å; C1420-R1423 WeakPolarHBondContact O-CB 3.44Å; C1420-R1423 PolarHBondContact O-N 3.5Å; C1420-R1423 PolarHBondContact SG-NH2 2.71Å; C1420-A1424 PolarHBondContact O-N 3.45Å |
| 1421 | L | 77.3 | Confident | 75.1 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.068 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 173.9 | -166.4 | 58.8 | 0 | 0 | 0 | 110.7 | A1387 Q1417 M1418 R1423 A1424 L1425 I1449 T1452 I1453 F1457 | A1387-L1421 HydrophobicContact CB-CB 4.41Å; Q1417-L1421 PolarHBondContact O-N 3.18Å; M1418-L1421 WeakPolarHBondContact O-CB 3.36Å; M1418-L1421 PolarHBondContact O-N 2.99Å; M1418-L1421 HydrophobicContact SD-CD2 3.98Å; L1421-R1423 VanDerWaalsContact C-N 3.28Å; L1421-R1423 PolarHBondContact O-N 2.71Å; L1421-A1424 PolarHBondContact O-N 3.03Å; L1421-A1424 VanDerWaalsContact O-N 3.14Å; L1421-L1425 HydrophobicContact CG-CD1 4.26Å; L1421-L1425 WeakPolarHBondContact O-CB 3.32Å; L1421-L1425 WeakPolarHBondContact O-CD1 3.24Å; L1421-L1425 VanDerWaalsContact O-CG 3.28Å; L1421-L1425 WeakPolarHBondContact O-CG 3.44Å; L1421-L1425 PolarHBondContact O-N 3.19Å; L1421-I1449 HydrophobicContact CD2-CG1 4.46Å; L1421-I1449 HydrophobicContact CD2-CG2 4.48Å; L1421-T1452 HydrophobicContact CD1-CG2 4.25Å; L1421-T1452 HydrophobicContact CD2-CG2 3.46Å; L1421-T1452 VanDerWaalsContact CD2-CG2 3.46Å; L1421-T1452 HydrophobicContact CG-CG2 3.82Å; L1421-I1453 HydrophobicContact CD1-CG1 4.27Å; L1421-F1457 HydrophobicContact CD1-CE2 4Å |
| 1422 | A | 82.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.1 | -41.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1383 L1384 A1387 M1418 C1420 L1425 L1426 | A1383-A1422 WeakPolarHBondContact CB-O 3.25Å; L1384-A1422 HydrophobicContact CD2-CB 4.17Å; A1387-A1422 HydrophobicContact CB-CB 3.72Å; M1418-A1422 PolarHBondContact O-N 3.4Å; C1420-A1422 VanDerWaalsContact C-N 3.35Å; A1422-L1425 PolarHBondContact O-N 2.91Å; A1422-L1426 WeakPolarHBondContact O-CB 3.31Å; A1422-L1426 PolarHBondContact O-N 3.12Å |
| 1423 | R | 75.9 | Confident | 76.4 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.7 | -53.7 | 173 | -80 | 171.1 | -91.7 | 178.6 | -7 | 111.4 | M1359 F1361 N1368 I1369 I1419 C1420 L1421 L1425 L1426 R1427 | M1359-R1423 HydrophobicContact CE-CB 3.81Å; M1359-R1423 HydrophobicContact CE-CG 3.89Å; M1359-R1423 HydrophobicContact CG-CB 4.21Å; M1359-R1423 HydrophobicContact SD-CB 3.83Å; F1361-R1423 PolarHBondContact O-NH1 2.93Å; N1368-R1423 VanDerWaalsContact O-CD 3.27Å; N1368-R1423 WeakPolarHBondContact O-CD 3.48Å; I1369-R1423 HydrophobicContact CB-CG 4.5Å; I1369-R1423 HydrophobicContact CG1-CG 4.46Å; I1419-R1423 WeakPolarHBondContact O-CG 3.5Å; I1419-R1423 PolarHBondContact O-N 3.46Å; I1419-R1423 PolarHBondContact O-NE 2.84Å; C1420-R1423 VanDerWaalsContact O-CB 3.32Å; C1420-R1423 WeakPolarHBondContact O-CB 3.44Å; C1420-R1423 PolarHBondContact O-N 3.5Å; C1420-R1423 PolarHBondContact SG-NH2 2.71Å; L1421-R1423 VanDerWaalsContact C-N 3.28Å; L1421-R1423 PolarHBondContact O-N 2.71Å; R1423-L1425 VanDerWaalsContact C-N 3.26Å; R1423-L1425 PolarHBondContact O-N 3.13Å; R1423-L1426 WeakPolarHBondContact O-CB 3.28Å; R1423-L1426 PolarHBondContact O-N 3.23Å; R1423-R1427 PolarHBondContact O-N 3.17Å |
| 1424 | A | 74.5 | Confident | 77.1 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.3 | -41.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1420 L1421 R1427 R1428 L1432 F1457 | C1420-A1424 PolarHBondContact O-N 3.45Å; L1421-A1424 PolarHBondContact O-N 3.03Å; L1421-A1424 VanDerWaalsContact O-N 3.14Å; A1424-R1427 PolarHBondContact O-N 2.99Å; A1424-R1428 PolarHBondContact O-N 2.65Å; A1424-L1432 HydrophobicContact CB-CD1 4.19Å; A1424-F1457 HydrophobicContact CB-CE1 4.28Å; A1424-F1457 HydrophobicContact CB-CZ 3.76Å |
| 1425 | L | 81.4 | Confident | 77.5 | Confident | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 176.3 | -70.4 | 163.6 | 0 | 0 | 0 | 112.6 | Q1386 A1387 L1421 A1422 R1423 R1427 T1452 Y1456 F1457 | Q1386-L1425 HydrophobicContact CB-CD1 3.68Å; A1387-L1425 HydrophobicContact CB-CD1 4.1Å; L1421-L1425 HydrophobicContact CG-CD1 4.26Å; L1421-L1425 WeakPolarHBondContact O-CB 3.32Å; L1421-L1425 WeakPolarHBondContact O-CD1 3.24Å; L1421-L1425 VanDerWaalsContact O-CG 3.28Å; L1421-L1425 WeakPolarHBondContact O-CG 3.44Å; L1421-L1425 PolarHBondContact O-N 3.19Å; A1422-L1425 PolarHBondContact O-N 2.91Å; R1423-L1425 VanDerWaalsContact C-N 3.26Å; R1423-L1425 PolarHBondContact O-N 3.13Å; L1425-R1427 PolarHBondContact O-N 3.48Å; L1425-T1452 HydrophobicContact CD1-CG2 3.95Å; L1425-Y1456 HydrophobicContact CD2-CD1 4.43Å; L1425-Y1456 HydrophobicContact CD2-CD2 4.14Å; L1425-Y1456 HydrophobicContact CD2-CG 3.76Å; L1425-F1457 HydrophobicContact CD2-CD2 4.43Å; L1425-F1457 HydrophobicContact CD2-CE2 3.59Å; L1425-F1457 HydrophobicContact CD2-CZ 3.73Å; L1425-F1457 HydrophobicContact CG-CE2 4.01Å; L1425-F1457 HydrophobicContact CG-CZ 3.93Å |
| 1426 | L | 82.7 | Confident | 77.1 | Confident | 16 Ų | 16 | 31.6 Ų | 31.6 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.9 | -33.9 | -179.4 | -171 | 65.5 | 0 | 0 | 0 | 113.1 | I1369 D1370 K1375 E1379 I1380 A1383 A1422 R1423 | I1369-L1426 HydrophobicContact CG2-CD2 3.33Å; D1370-L1426 HydrophobicContact CB-CD2 4.17Å; K1375-L1426 HydrophobicContact CB-CD1 4.39Å; K1375-L1426 HydrophobicContact CB-CD2 4.25Å; K1375-L1426 HydrophobicContact CD-CD1 4.34Å; K1375-L1426 HydrophobicContact CD-CG 4.45Å; K1375-L1426 HydrophobicContact CG-CD1 4.19Å; K1375-L1426 HydrophobicContact CG-CD2 3.96Å; K1375-L1426 HydrophobicContact CG-CG 4.06Å; E1379-L1426 HydrophobicContact CB-CD1 3.83Å; I1380-L1426 HydrophobicContact CG1-CD2 4.27Å; A1383-L1426 HydrophobicContact CB-CB 4.04Å; A1383-L1426 HydrophobicContact CB-CD1 4.18Å; A1422-L1426 WeakPolarHBondContact O-CB 3.31Å; A1422-L1426 PolarHBondContact O-N 3.12Å; R1423-L1426 WeakPolarHBondContact O-CB 3.28Å; R1423-L1426 PolarHBondContact O-N 3.23Å |
| 1427 | R | 72.4 | Confident | 76.8 | Confident | 69 Ų | 69 | 31.8 Ų | 31.8 | 26% | 0.26 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -83.4 | -25.3 | -179 | -102.4 | -168.4 | -175.1 | 169.9 | -13.5 | 115.1 | H523 W525 S1356 I1358 M1359 R1423 A1424 L1425 | H523-R1427 PolarHBondContact O-NH2 3.23Å; W525-R1427 VanDerWaalsContact NE1-NH2 3.18Å; S1356-R1427 PolarHBondContact O-NE 2.99Å; S1356-R1427 PolarHBondContact O-NH1 3.23Å; S1356-R1427 VanDerWaalsContact O-NH1 3.11Å; S1356-R1427 PolarHBondContact O-NH2 3.38Å; I1358-R1427 PolarHBondContact O-NH1 2.96Å; M1359-R1427 HydrophobicContact CE-CG 4.16Å; M1359-R1427 HydrophobicContact CG-CG 4.24Å; M1359-R1427 HydrophobicContact SD-CB 3.52Å; M1359-R1427 VanDerWaalsContact SD-CB 3.52Å; M1359-R1427 WeakPolarHBondContact SD-CD 3.37Å; M1359-R1427 HydrophobicContact SD-CG 3.25Å; M1359-R1427 WeakPolarHBondContact SD-CG 3.06Å; R1423-R1427 PolarHBondContact O-N 3.17Å; A1424-R1427 PolarHBondContact O-N 2.99Å; L1425-R1427 PolarHBondContact O-N 3.48Å |
| 1428 | R | 74.3 | Confident | 76.6 | Confident | 203 Ų | 203 | 31.5 Ų | 31.5 | 77% | 0.766 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 53.5 | -177.1 | -56.9 | -176.8 | -180 | 174.4 | 0.4 | 113.9 | A1424 | A1424-R1428 PolarHBondContact O-N 2.65Š|
| 1429 | S | 74.7 | Confident | 75.6 | Confident | 11 Ų | 11 | 32.7 Ų | 32.7 | 8% | 0.077 | 16% | 0.157 | C | C | . | . | trans | -77.3 | 136.6 | 179.6 | 52 | 0 | 0 | 0 | 0 | 112.7 | R1357 I1431 C1460 | R1357-S1429 WeakPolarHBondContact O-CB 3.38Å; S1429-I1431 VanDerWaalsContact C-N 3.3Å; S1429-I1431 PolarHBondContact O-N 3.27Å; S1429-I1431 PolarHBondContact OG-O 2.66Å; S1429-C1460 PolarHBondContact O-SG 3.47Å; S1429-C1460 VanDerWaalsContact O-SG 3.35Å | ||
| 1430 | R | 83.1 | Confident | 74.5 | Confident | 98 Ų | 98 | 34.6 Ų | 34.6 | 37% | 0.37 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -70.2 | -20.7 | 176.7 | -70.2 | -66.6 | -174 | -162.4 | -4.8 | 115 | P1276 D1459 T1461 | P1276-R1430 HydrophobicContact CG-CB 4.37Å; P1276-R1430 WeakPolarHBondContact O-CG 3.14Å; R1430-D1459 IonicContact CZ-OD2 2.63Å; R1430-D1459 IonicContact NH1-OD2 3.35Å; R1430-D1459 PolarHBondContact NH1-OD2 3.39Å; R1430-T1461 PolarHBondContact O-N 3.1Å |
| 1431 | I | 84.3 | Confident | 74.1 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.5 | 177 | -60.1 | 170 | 0 | 0 | 0 | 107.5 | P1276 I1281 I1341 S1429 T1461 | P1276-I1431 HydrophobicContact CB-CD1 4.33Å; P1276-I1431 HydrophobicContact CG-CD1 4.13Å; P1276-I1431 HydrophobicContact CG-CG1 4.49Å; I1281-I1431 HydrophobicContact CD1-CD1 4.13Å; I1281-I1431 HydrophobicContact CD1-CG1 4.49Å; I1281-I1431 HydrophobicContact CD1-CG2 3.85Å; I1281-I1431 HydrophobicContact CG1-CD1 4.06Å; I1341-I1431 HydrophobicContact CG2-CD1 3.77Å; S1429-I1431 VanDerWaalsContact C-N 3.3Å; S1429-I1431 PolarHBondContact O-N 3.27Å; S1429-I1431 PolarHBondContact OG-O 2.66Å; I1431-T1461 WeakPolarHBondContact CA-O 3.05Å |
| 1432 | L | 83.2 | Confident | 73.7 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.1 | 177.2 | -176.5 | 65.7 | 0 | 0 | 0 | 109.6 | A1424 L1434 F1457 T1461 V1462 L1463 | A1424-L1432 HydrophobicContact CB-CD1 4.19Å; L1432-L1434 HydrophobicContact CD1-CD2 4.32Å; L1432-L1434 HydrophobicContact CD2-CD1 4.3Å; L1432-L1434 HydrophobicContact CD2-CD2 4.05Å; L1432-L1434 HydrophobicContact CD2-CG 4.19Å; L1432-L1434 HydrophobicContact CG-CD2 4.05Å; L1432-L1434 HydrophobicContact CG-CG 4.16Å; L1432-F1457 HydrophobicContact CD1-CE1 4.42Å; L1432-F1457 HydrophobicContact CD2-CB 4.27Å; L1432-F1457 HydrophobicContact CD2-CD1 3.82Å; L1432-F1457 HydrophobicContact CD2-CD2 4.15Å; L1432-F1457 HydrophobicContact CD2-CE1 4.11Å; L1432-F1457 HydrophobicContact CD2-CE2 4.4Å; L1432-F1457 HydrophobicContact CD2-CG 3.82Å; L1432-F1457 HydrophobicContact CD2-CZ 4.37Å; L1432-T1461 PolarHBondContact N-O 2.83Å; L1432-V1462 HydrophobicContact CB-CG2 4.35Å; L1432-V1462 HydrophobicContact CD2-CG1 4.34Å; L1432-V1462 HydrophobicContact CD2-CG2 4.44Å; L1432-V1462 WeakPolarHBondContact O-CA 3.01Å; L1432-L1463 PolarHBondContact O-N 2.94Å |
| 1433 | V | 80.7 | Confident | 73.1 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 17% | 0.17 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.4 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | T1325 L1328 L1463 | T1325-V1433 HydrophobicContact CG2-CG1 3.52Å; L1328-V1433 HydrophobicContact CD2-CG2 3.83Å; V1433-L1463 CarbonylContact C-O 3.49Å; V1433-L1463 WeakPolarHBondContact CA-O 3.24Å; V1433-L1463 HydrophobicContact CG1-CB 4.47Å; V1433-L1463 HydrophobicContact CG2-CB 4.24Å; V1433-L1463 HydrophobicContact CG2-CD1 4.03Å |
| 1434 | L | 78.6 | Confident | 73 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 111.9 | 178.5 | -59.4 | 175.7 | 0 | 0 | 0 | 108 | L1432 A1437 I1453 V1462 L1463 T1464 I1465 | L1432-L1434 HydrophobicContact CD1-CD2 4.32Å; L1432-L1434 HydrophobicContact CD2-CD1 4.3Å; L1432-L1434 HydrophobicContact CD2-CD2 4.05Å; L1432-L1434 HydrophobicContact CD2-CG 4.19Å; L1432-L1434 HydrophobicContact CG-CD2 4.05Å; L1432-L1434 HydrophobicContact CG-CG 4.16Å; L1434-A1437 HydrophobicContact CB-CB 4.43Å; L1434-I1453 HydrophobicContact CD1-CD1 3.58Å; L1434-I1453 HydrophobicContact CD1-CG1 4.3Å; L1434-I1453 HydrophobicContact CD1-CG2 4.41Å; L1434-V1462 HydrophobicContact CD1-CG1 3.92Å; L1434-V1462 HydrophobicContact CG-CG1 4.4Å; L1434-L1463 PolarHBondContact N-O 2.86Å; L1434-T1464 HydrophobicContact CB-CG2 4.39Å; L1434-T1464 CarbonylContact O-C 3.46Å; L1434-T1464 WeakPolarHBondContact O-CA 3.44Å; L1434-I1465 PolarHBondContact O-N 2.99Å |
| 1435 | D | 74.6 | Confident | 72.9 | Confident | 59 Ų | 59 | 52 Ų | 52 | 32% | 0.316 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 101.2 | 177.1 | -161.6 | -5.2 | 0 | 0 | 0 | 109.4 | S1322 A1437 I1465 | S1322-D1435 PolarHBondContact OG-OD2 3.35Å; D1435-A1437 VanDerWaalsContact C-N 3.25Å; D1435-A1437 PolarHBondContact O-N 3.27Å; D1435-I1465 WeakPolarHBondContact OD1-CG2 3.43Å |
| 1436 | E | 68.1 | Low | 72.6 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 50.8 | 42.4 | 178.3 | -67.6 | 179.8 | 166 | 0 | 0 | 113.2 | H514 T1438 A1439 I1465 | H514-E1436 WeakPolarHBondContact CE1-CB 3.39Å; H514-E1436 IonicContact CE1-OE2 3.5Å; H514-E1436 PolarHBondContact CE1-OE2 3.3Å; H514-E1436 IonicContact NE2-OE2 3.95Å; H514-E1436 PolarHBondContact NE2-OE2 3.15Å; H514-E1436 VanDerWaalsContact NE2-OE2 3.14Å; E1436-T1438 PolarHBondContact O-N 3.23Å; E1436-A1439 HydrophobicContact CB-CB 4.34Å; E1436-A1439 PolarHBondContact O-N 2.92Å; E1436-I1465 WeakPolarHBondContact CA-O 3.4Å; E1436-I1465 HydrophobicContact CG-CG2 4.27Å; E1436-I1465 PolarHBondContact N-O 3.4Å |
| 1437 | A | 64.6 | Low | 72.4 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 20% | 0.198 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -14.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1417 L1434 D1435 | Q1417-A1437 PolarHBondContact NE2-O 3.2Å; Q1417-A1437 PolarHBondContact OE1-O 2.85Å; L1434-A1437 HydrophobicContact CB-CB 4.43Å; D1435-A1437 VanDerWaalsContact C-N 3.25Å; D1435-A1437 PolarHBondContact O-N 3.27Å |
| 1438 | T | 66.3 | Low | 72.8 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 4.1 | -169.4 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | E1436 A1440 D1446 I1449 R1468 | E1436-T1438 PolarHBondContact O-N 3.23Å; T1438-A1440 PolarHBondContact O-N 3.26Å; T1438-D1446 WeakPolarHBondContact CB-OD1 3.22Å; T1438-D1446 WeakPolarHBondContact CG2-OD1 3.41Å; T1438-I1449 HydrophobicContact CG2-CG2 4.38Å; T1438-R1468 PolarHBondContact O-NH1 3.35Å |
| 1439 | A | 57.2 | Low | 73 | Confident | 33 Ų | 33 | 48 Ų | 48 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -26.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H514 E1436 | H514-A1439 VanDerWaalsContact CD2-CB 3.42Å; H514-A1439 WeakPolarHBondContact CD2-CB 3.24Å; H514-A1439 WeakPolarHBondContact NE2-CB 3.47Å; E1436-A1439 HydrophobicContact CB-CB 4.34Å; E1436-A1439 PolarHBondContact O-N 2.92Å |
| 1440 | A | 55.5 | Low | 73.2 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 37% | 0.372 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 31.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H514 V1413 T1438 | H514-A1440 HydrophobicContact CB-CB 3.73Å; V1413-A1440 HydrophobicContact CG1-CB 3.74Å; T1438-A1440 PolarHBondContact O-N 3.26Å |
| 1441 | V | 64.7 | Low | 73.2 | Confident | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -120.1 | 142.1 | -170 | -162.4 | 0 | 0 | 0 | 0 | 108.7 | Q1417 T1445 I1449 R1468 | Q1417-V1441 VanDerWaalsContact CD-CG2 3.4Å; Q1417-V1441 VanDerWaalsContact NE2-CG2 3.28Å; V1441-T1445 HydrophobicContact CG1-CG2 3.6Å; V1441-I1449 HydrophobicContact CG1-CD1 4.37Å; V1441-R1468 PolarHBondContact O-NH2 3.11Å |
| 1442 | D | 69.4 | Low | 73.1 | Confident | 93 Ų | 93 | 46.8 Ų | 46.8 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | trans | -61.1 | 156.7 | 167 | 52.3 | 15.1 | 0 | 0 | 0 | 110.4 | E1444 T1445 D1446 | D1442-E1444 PolarHBondContact O-N 3.1Å; D1442-T1445 PolarHBondContact O-N 3.45Å; D1442-T1445 WeakPolarHBondContact OD1-CA 3.49Å; D1442-T1445 WeakPolarHBondContact OD1-CB 3.17Å; D1442-T1445 PolarHBondContact OD1-N 3.4Å; D1442-T1445 PolarHBondContact OD1-OG1 3.16Å; D1442-D1446 WeakPolarHBondContact O-CB 3.22Å; D1442-D1446 PolarHBondContact O-N 3.49Å | ||
| 1443 | L | 69.9 | Low | 72.9 | Confident | 126 Ų | 126 | 46.9 Ų | 46.9 | 66% | 0.66 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.9 | -33.9 | -176.7 | -131.4 | 98 | 0 | 0 | 0 | 111.7 | Q1447 | L1443-Q1447 WeakPolarHBondContact O-CG 3.44Å; L1443-Q1447 PolarHBondContact O-N 3.04Å; L1443-Q1447 VanDerWaalsContact O-N 3.09Å |
| 1444 | E | 72.8 | Confident | 73 | Confident | 149 Ų | 149 | 51.1 Ų | 51.1 | 70% | 0.696 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.3 | -49.6 | 178.3 | -65.5 | -175.5 | -179.8 | 0 | 0 | 112.2 | D1442 D1446 Q1447 L1448 | D1442-E1444 PolarHBondContact O-N 3.1Å; E1444-D1446 VanDerWaalsContact C-N 3.33Å; E1444-D1446 PolarHBondContact O-N 3.3Å; E1444-Q1447 PolarHBondContact O-N 2.54Å; E1444-L1448 WeakPolarHBondContact O-CG 3.29Å; E1444-L1448 PolarHBondContact O-N 3.35Å; E1444-L1448 VanDerWaalsContact O-N 3.11Å |
| 1445 | T | 71.5 | Confident | 73.3 | Confident | 27 Ų | 27 | 58 Ų | 58 | 17% | 0.166 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73 | -28.5 | 179.9 | -50.3 | 0 | 0 | 0 | 0 | 111.3 | M1418 V1441 D1442 L1448 I1449 | M1418-T1445 HydrophobicContact CG-CG2 4.13Å; M1418-T1445 HydrophobicContact SD-CG2 4.4Å; V1441-T1445 HydrophobicContact CG1-CG2 3.6Å; D1442-T1445 PolarHBondContact O-N 3.45Å; D1442-T1445 WeakPolarHBondContact OD1-CA 3.49Å; D1442-T1445 WeakPolarHBondContact OD1-CB 3.17Å; D1442-T1445 PolarHBondContact OD1-N 3.4Å; D1442-T1445 PolarHBondContact OD1-OG1 3.16Å; T1445-L1448 PolarHBondContact O-N 3.42Å; T1445-I1449 HydrophobicContact CG2-CD1 4.16Å; T1445-I1449 HydrophobicContact CG2-CG1 4.48Å; T1445-I1449 VanDerWaalsContact O-CG1 3.25Å; T1445-I1449 WeakPolarHBondContact O-CG1 3.41Å; T1445-I1449 PolarHBondContact O-N 3.03Å |
| 1446 | D | 75.1 | Confident | 73.8 | Confident | 16 Ų | 16 | 60 Ų | 60 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.9 | -49.5 | 170.2 | -171.8 | 4.8 | 0 | 0 | 0 | 110.9 | T1438 D1442 E1444 L1448 I1449 Q1450 R1468 | T1438-D1446 WeakPolarHBondContact CB-OD1 3.22Å; T1438-D1446 WeakPolarHBondContact CG2-OD1 3.41Å; D1442-D1446 WeakPolarHBondContact O-CB 3.22Å; D1442-D1446 PolarHBondContact O-N 3.49Å; E1444-D1446 VanDerWaalsContact C-N 3.33Å; E1444-D1446 PolarHBondContact O-N 3.3Å; D1446-L1448 VanDerWaalsContact C-N 3.35Å; D1446-L1448 PolarHBondContact O-N 3.32Å; D1446-I1449 PolarHBondContact O-N 3.37Å; D1446-Q1450 WeakPolarHBondContact O-CG 3.26Å; D1446-Q1450 PolarHBondContact O-N 3.27Å; D1446-R1468 IonicContact OD2-NH1 3.41Å; D1446-R1468 PolarHBondContact OD2-NH1 3.04Å |
| 1447 | Q | 79.9 | Confident | 74.4 | Confident | 120 Ų | 120 | 58.3 Ų | 58.3 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.1 | -43.2 | 175.5 | -74 | 176.8 | 2.1 | 0 | 0 | 112.5 | L1443 E1444 I1449 Q1450 D1451 | L1443-Q1447 WeakPolarHBondContact O-CG 3.44Å; L1443-Q1447 PolarHBondContact O-N 3.04Å; L1443-Q1447 VanDerWaalsContact O-N 3.09Å; E1444-Q1447 PolarHBondContact O-N 2.54Å; Q1447-I1449 VanDerWaalsContact C-N 3.35Å; Q1447-I1449 PolarHBondContact O-N 2.85Å; Q1447-Q1450 PolarHBondContact O-N 3.11Å; Q1447-D1451 WeakPolarHBondContact O-CB 3.38Å; Q1447-D1451 PolarHBondContact O-N 2.9Å |
| 1448 | L | 81.3 | Confident | 75.2 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 38% | 0.382 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.5 | -70.8 | 172 | 0 | 0 | 0 | 112.3 | M1418 E1444 T1445 D1446 T1452 | M1418-L1448 HydrophobicContact CE-CB 4.19Å; E1444-L1448 WeakPolarHBondContact O-CG 3.29Å; E1444-L1448 PolarHBondContact O-N 3.35Å; E1444-L1448 VanDerWaalsContact O-N 3.11Å; T1445-L1448 PolarHBondContact O-N 3.42Å; D1446-L1448 VanDerWaalsContact C-N 3.35Å; D1446-L1448 PolarHBondContact O-N 3.32Å; L1448-T1452 WeakPolarHBondContact O-CB 3.16Å; L1448-T1452 PolarHBondContact O-N 2.63Å; L1448-T1452 VanDerWaalsContact O-N 3.08Å; L1448-T1452 PolarHBondContact O-OG1 3.37Å |
| 1449 | I | 77 | Confident | 76 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 177 | -70 | 165 | 0 | 0 | 0 | 110.1 | Q1417 M1418 L1421 T1438 V1441 T1445 D1446 Q1447 D1451 T1452 I1453 | Q1417-I1449 HydrophobicContact CB-CD1 4.28Å; M1418-I1449 HydrophobicContact SD-CD1 4.17Å; M1418-I1449 HydrophobicContact SD-CG1 3.36Å; M1418-I1449 WeakPolarHBondContact SD-CG1 3.45Å; L1421-I1449 HydrophobicContact CD2-CG1 4.46Å; L1421-I1449 HydrophobicContact CD2-CG2 4.48Å; T1438-I1449 HydrophobicContact CG2-CG2 4.38Å; V1441-I1449 HydrophobicContact CG1-CD1 4.37Å; T1445-I1449 HydrophobicContact CG2-CD1 4.16Å; T1445-I1449 HydrophobicContact CG2-CG1 4.48Å; T1445-I1449 VanDerWaalsContact O-CG1 3.25Å; T1445-I1449 WeakPolarHBondContact O-CG1 3.41Å; T1445-I1449 PolarHBondContact O-N 3.03Å; D1446-I1449 PolarHBondContact O-N 3.37Å; Q1447-I1449 VanDerWaalsContact C-N 3.35Å; Q1447-I1449 PolarHBondContact O-N 2.85Å; I1449-D1451 PolarHBondContact O-N 3.48Å; I1449-T1452 PolarHBondContact O-N 3.44Å; I1449-I1453 HydrophobicContact CG2-CD1 3.66Å; I1449-I1453 HydrophobicContact CG2-CG1 4.44Å; I1449-I1453 VanDerWaalsContact O-CG1 3.29Å; I1449-I1453 WeakPolarHBondContact O-CG1 3.28Å; I1449-I1453 PolarHBondContact O-N 3.11Å |
| 1450 | Q | 79.4 | Confident | 77.3 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 179.6 | -71.2 | -66.3 | -15.6 | 0 | 0 | 112.1 | D1446 Q1447 T1452 I1453 R1454 | D1446-Q1450 WeakPolarHBondContact O-CG 3.26Å; D1446-Q1450 PolarHBondContact O-N 3.27Å; Q1447-Q1450 PolarHBondContact O-N 3.11Å; Q1450-T1452 PolarHBondContact O-N 3.18Å; Q1450-I1453 PolarHBondContact O-N 3.07Å; Q1450-R1454 VanDerWaalsContact O-CG 3.31Å; Q1450-R1454 WeakPolarHBondContact O-CG 3.37Å; Q1450-R1454 PolarHBondContact O-N 3.21Å |
| 1451 | D | 83.7 | Confident | 78.8 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 177 | -89.1 | 8.9 | 0 | 0 | 0 | 112.3 | Q1447 I1449 I1453 R1454 R1455 | Q1447-D1451 WeakPolarHBondContact O-CB 3.38Å; Q1447-D1451 PolarHBondContact O-N 2.9Å; I1449-D1451 PolarHBondContact O-N 3.48Å; D1451-I1453 VanDerWaalsContact C-N 3.34Å; D1451-R1454 PolarHBondContact O-N 2.92Å; D1451-R1454 IonicContact OD1-NH1 2.65Å; D1451-R1455 WeakPolarHBondContact O-CB 3.5Å; D1451-R1455 VanDerWaalsContact O-CG 3.23Å; D1451-R1455 WeakPolarHBondContact O-CG 3.1Å; D1451-R1455 PolarHBondContact O-N 3.01Å; D1451-R1455 IonicContact OD2-NH2 3.92Å; D1451-R1455 PolarHBondContact OD2-NH2 3.13Å |
| 1452 | T | 81.9 | Confident | 79.8 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 175.2 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | Q1386 L1421 L1425 L1448 I1449 Q1450 R1455 Y1456 | Q1386-T1452 WeakPolarHBondContact O-CG2 3.31Å; Q1386-T1452 PolarHBondContact O-OG1 3.1Å; L1421-T1452 HydrophobicContact CD1-CG2 4.25Å; L1421-T1452 HydrophobicContact CD2-CG2 3.46Å; L1421-T1452 VanDerWaalsContact CD2-CG2 3.46Å; L1421-T1452 HydrophobicContact CG-CG2 3.82Å; L1425-T1452 HydrophobicContact CD1-CG2 3.95Å; L1448-T1452 WeakPolarHBondContact O-CB 3.16Å; L1448-T1452 PolarHBondContact O-N 2.63Å; L1448-T1452 VanDerWaalsContact O-N 3.08Å; L1448-T1452 PolarHBondContact O-OG1 3.37Å; I1449-T1452 PolarHBondContact O-N 3.44Å; Q1450-T1452 PolarHBondContact O-N 3.18Å; T1452-R1455 PolarHBondContact O-N 3.12Å; T1452-Y1456 HydrophobicContact CG2-CD2 3.76Å; T1452-Y1456 HydrophobicContact CG2-CE2 4.25Å; T1452-Y1456 WeakPolarHBondContact O-CD2 3.29Å; T1452-Y1456 PolarHBondContact O-N 3.01Å |
| 1453 | I | 79.6 | Confident | 80.7 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 175.2 | -68.7 | 160.8 | 0 | 0 | 0 | 110.7 | L1421 L1434 I1449 Q1450 D1451 R1455 F1457 | L1421-I1453 HydrophobicContact CD1-CG1 4.27Å; L1434-I1453 HydrophobicContact CD1-CD1 3.58Å; L1434-I1453 HydrophobicContact CD1-CG1 4.3Å; L1434-I1453 HydrophobicContact CD1-CG2 4.41Å; I1449-I1453 HydrophobicContact CG2-CD1 3.66Å; I1449-I1453 HydrophobicContact CG2-CG1 4.44Å; I1449-I1453 VanDerWaalsContact O-CG1 3.29Å; I1449-I1453 WeakPolarHBondContact O-CG1 3.28Å; I1449-I1453 PolarHBondContact O-N 3.11Å; Q1450-I1453 PolarHBondContact O-N 3.07Å; D1451-I1453 VanDerWaalsContact C-N 3.34Å; I1453-R1455 VanDerWaalsContact C-N 3.33Å; I1453-R1455 PolarHBondContact O-N 3.14Å; I1453-F1457 WeakPolarHBondContact O-CB 3.34Å; I1453-F1457 PolarHBondContact O-N 2.78Å; I1453-F1457 VanDerWaalsContact O-N 3.08Å |
| 1454 | R | 82.9 | Confident | 81.4 | Confident | 118 Ų | 118 | 51.2 Ų | 51.2 | 45% | 0.445 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -39.6 | -179.6 | -71.2 | 171.2 | -177.4 | 159.1 | -4.5 | 112.6 | Q1450 D1451 D1474 | Q1450-R1454 VanDerWaalsContact O-CG 3.31Å; Q1450-R1454 WeakPolarHBondContact O-CG 3.37Å; Q1450-R1454 PolarHBondContact O-N 3.21Å; D1451-R1454 PolarHBondContact O-N 2.92Å; D1451-R1454 IonicContact OD1-NH1 2.65Å; R1454-D1474 IonicContact CZ-OD2 3.81Å; R1454-D1474 IonicContact NE-OD2 3.89Å; R1454-D1474 IonicContact NH2-OD2 3.82Å; R1454-D1474 PolarHBondContact NH2-OD2 2.95Å |
| 1455 | R | 85.1 | Confident | 81.8 | Confident | 167 Ų | 167 | 44.2 Ų | 44.2 | 63% | 0.63 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -76.5 | -43.8 | -176.2 | -72.5 | 176.6 | -164.2 | 173.9 | 11.2 | 113.5 | D1451 T1452 I1453 | D1451-R1455 WeakPolarHBondContact O-CB 3.5Å; D1451-R1455 VanDerWaalsContact O-CG 3.23Å; D1451-R1455 WeakPolarHBondContact O-CG 3.1Å; D1451-R1455 PolarHBondContact O-N 3.01Å; D1451-R1455 IonicContact OD2-NH2 3.92Å; D1451-R1455 PolarHBondContact OD2-NH2 3.13Å; T1452-R1455 PolarHBondContact O-N 3.12Å; I1453-R1455 VanDerWaalsContact C-N 3.33Å; I1453-R1455 PolarHBondContact O-N 3.14Å |
| 1456 | Y | 84.5 | Confident | 81.9 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 40% | 0.4 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -105.5 | -13.2 | -167.7 | -65.3 | -76.2 | 0 | 0 | 0 | 114.8 | Q1386 L1425 T1452 | Q1386-Y1456 HydrophobicContact CB-CE1 4.32Å; Q1386-Y1456 HydrophobicContact CB-CE2 3.98Å; Q1386-Y1456 HydrophobicContact CG-CD1 4.48Å; Q1386-Y1456 HydrophobicContact CG-CE1 3.76Å; Q1386-Y1456 HydrophobicContact CG-CE2 4.25Å; L1425-Y1456 HydrophobicContact CD2-CD1 4.43Å; L1425-Y1456 HydrophobicContact CD2-CD2 4.14Å; L1425-Y1456 HydrophobicContact CD2-CG 3.76Å; T1452-Y1456 HydrophobicContact CG2-CD2 3.76Å; T1452-Y1456 HydrophobicContact CG2-CE2 4.25Å; T1452-Y1456 WeakPolarHBondContact O-CD2 3.29Å; T1452-Y1456 PolarHBondContact O-N 3.01Å |
| 1457 | F | 80.9 | Confident | 81.5 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -119 | 28 | 179.8 | -60.4 | -86.3 | 0 | 0 | 0 | 112.5 | L1421 A1424 L1425 L1432 I1453 D1459 C1460 | L1421-F1457 HydrophobicContact CD1-CE2 4Å; A1424-F1457 HydrophobicContact CB-CE1 4.28Å; A1424-F1457 HydrophobicContact CB-CZ 3.76Å; L1425-F1457 HydrophobicContact CD2-CD2 4.43Å; L1425-F1457 HydrophobicContact CD2-CE2 3.59Å; L1425-F1457 HydrophobicContact CD2-CZ 3.73Å; L1425-F1457 HydrophobicContact CG-CE2 4.01Å; L1425-F1457 HydrophobicContact CG-CZ 3.93Å; L1432-F1457 HydrophobicContact CD1-CE1 4.42Å; L1432-F1457 HydrophobicContact CD2-CB 4.27Å; L1432-F1457 HydrophobicContact CD2-CD1 3.82Å; L1432-F1457 HydrophobicContact CD2-CD2 4.15Å; L1432-F1457 HydrophobicContact CD2-CE1 4.11Å; L1432-F1457 HydrophobicContact CD2-CE2 4.4Å; L1432-F1457 HydrophobicContact CD2-CG 3.82Å; L1432-F1457 HydrophobicContact CD2-CZ 4.37Å; I1453-F1457 WeakPolarHBondContact O-CB 3.34Å; I1453-F1457 PolarHBondContact O-N 2.78Å; I1453-F1457 VanDerWaalsContact O-N 3.08Å; F1457-D1459 VanDerWaalsContact C-N 3.28Å; F1457-D1459 PolarHBondContact O-N 3.12Å; F1457-C1460 HydrophobicContact CB-CB 4.2Å; F1457-C1460 HydrophobicContact CD1-CB 4.46Å; F1457-C1460 PolarHBondContact O-N 2.78Å |
| 1458 | S | 80.5 | Confident | 81 | Confident | 75 Ų | 75 | 47 Ų | 47 | 52% | 0.524 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -27.6 | 179 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1459 | D | 83.6 | Confident | 80.9 | Confident | 71 Ų | 71 | 44 Ų | 44 | 38% | 0.38 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 13.4 | 178.6 | 71.4 | -37.1 | 0 | 0 | 0 | 113 | H1308 R1430 F1457 | H1308-D1459 PolarHBondContact CE1-O 3.3Å; H1308-D1459 VanDerWaalsContact ND1-C 3.28Å; H1308-D1459 PolarHBondContact ND1-O 2.63Å; R1430-D1459 IonicContact CZ-OD2 2.63Å; R1430-D1459 IonicContact NH1-OD2 3.35Å; R1430-D1459 PolarHBondContact NH1-OD2 3.39Å; F1457-D1459 VanDerWaalsContact C-N 3.28Å; F1457-D1459 PolarHBondContact O-N 3.12Å |
| 1460 | C | 84.6 | Confident | 81 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -114.4 | 149.7 | -176.6 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | S1429 F1457 | S1429-C1460 PolarHBondContact O-SG 3.47Å; S1429-C1460 VanDerWaalsContact O-SG 3.35Å; F1457-C1460 HydrophobicContact CB-CB 4.2Å; F1457-C1460 HydrophobicContact CD1-CB 4.46Å; F1457-C1460 PolarHBondContact O-N 2.78Å |
| 1461 | T | 87.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 122.4 | 169.4 | -54.3 | 0 | 0 | 0 | 0 | 108 | G1279 I1305 H1308 E1309 R1430 I1431 L1432 | G1279-T1461 PolarHBondContact O-OG1 3.48Å; I1305-T1461 HydrophobicContact CG2-CG2 3.47Å; I1305-T1461 VanDerWaalsContact CG2-CG2 3.47Å; H1308-T1461 PolarHBondContact N-OG1 3.36Å; H1308-T1461 VanDerWaalsContact N-OG1 3.13Å; E1309-T1461 WeakPolarHBondContact O-CG2 3.32Å; R1430-T1461 PolarHBondContact O-N 3.1Å; I1431-T1461 WeakPolarHBondContact CA-O 3.05Å; L1432-T1461 PolarHBondContact N-O 2.83Å |
| 1462 | V | 86.2 | Confident | 80.7 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.1 | -172.8 | -173.1 | 0 | 0 | 0 | 0 | 110.7 | E1309 K1310 A1311 L1432 L1434 | E1309-V1462 PolarHBondContact O-N 3.38Å; K1310-V1462 CarbonylContact C-O 3.53Å; K1310-V1462 WeakPolarHBondContact CA-O 3.48Å; K1310-V1462 HydrophobicContact CG-CB 4.27Å; K1310-V1462 HydrophobicContact CG-CG2 4.48Å; A1311-V1462 PolarHBondContact N-O 3.05Å; L1432-V1462 HydrophobicContact CB-CG2 4.35Å; L1432-V1462 HydrophobicContact CD2-CG1 4.34Å; L1432-V1462 HydrophobicContact CD2-CG2 4.44Å; L1432-V1462 WeakPolarHBondContact O-CA 3.01Å; L1434-V1462 HydrophobicContact CD1-CG1 3.92Å; L1434-V1462 HydrophobicContact CG-CG1 4.4Å |
| 1463 | L | 86.6 | Confident | 80.7 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 111.9 | 175.3 | -85.5 | 155.6 | 0 | 0 | 0 | 109.1 | I1281 I1305 A1311 I1313 L1328 L1432 V1433 L1434 | I1281-L1463 HydrophobicContact CD1-CD1 3.64Å; I1305-L1463 HydrophobicContact CD1-CD1 4.18Å; I1305-L1463 HydrophobicContact CD1-CD2 3.25Å; I1305-L1463 HydrophobicContact CD1-CG 3.83Å; A1311-L1463 HydrophobicContact CB-CD2 4.38Å; A1311-L1463 CarbonylContact O-C 3.31Å; A1311-L1463 WeakPolarHBondContact O-CA 3.36Å; I1313-L1463 HydrophobicContact CD1-CD2 3.79Å; I1313-L1463 HydrophobicContact CG1-CD2 4.41Å; L1328-L1463 HydrophobicContact CD2-CD1 3.93Å; L1432-L1463 PolarHBondContact O-N 2.94Å; V1433-L1463 CarbonylContact C-O 3.49Å; V1433-L1463 WeakPolarHBondContact CA-O 3.24Å; V1433-L1463 HydrophobicContact CG1-CB 4.47Å; V1433-L1463 HydrophobicContact CG2-CB 4.24Å; V1433-L1463 HydrophobicContact CG2-CD1 4.03Å; L1434-L1463 PolarHBondContact N-O 2.86Å |
| 1464 | T | 85.7 | Confident | 80.7 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 111.6 | -176.5 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | A1311 G1312 I1313 L1434 A1466 I1472 | A1311-T1464 PolarHBondContact O-N 3.29Å; G1312-T1464 CarbonylContact C-O 3.59Å; G1312-T1464 WeakPolarHBondContact CA-O 3.27Å; I1313-T1464 PolarHBondContact N-O 3.3Å; L1434-T1464 HydrophobicContact CB-CG2 4.39Å; L1434-T1464 CarbonylContact O-C 3.46Å; L1434-T1464 WeakPolarHBondContact O-CA 3.44Å; T1464-A1466 HydrophobicContact CG2-CB 4.45Å; T1464-I1472 HydrophobicContact CG2-CG1 4.07Å |
| 1465 | I | 81.3 | Confident | 80.8 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.3 | 163 | -63.6 | 163.7 | 0 | 0 | 0 | 107.4 | I1313 K1321 T1325 L1434 D1435 E1436 | I1313-I1465 HydrophobicContact CB-CG1 3.73Å; I1313-I1465 HydrophobicContact CD1-CG1 4.29Å; I1313-I1465 HydrophobicContact CG1-CG1 4.5Å; I1313-I1465 HydrophobicContact CG2-CG1 4.07Å; I1313-I1465 WeakPolarHBondContact O-CA 3.09Å; K1321-I1465 HydrophobicContact CB-CD1 4.27Å; K1321-I1465 HydrophobicContact CB-CG1 4.49Å; K1321-I1465 HydrophobicContact CB-CG2 4.05Å; K1321-I1465 HydrophobicContact CD-CG2 4.1Å; K1321-I1465 WeakPolarHBondContact O-CD1 3.46Å; T1325-I1465 HydrophobicContact CG2-CD1 3.31Å; L1434-I1465 PolarHBondContact O-N 2.99Å; D1435-I1465 WeakPolarHBondContact OD1-CG2 3.43Å; E1436-I1465 WeakPolarHBondContact CA-O 3.4Å; E1436-I1465 HydrophobicContact CG-CG2 4.27Å; E1436-I1465 PolarHBondContact N-O 3.4Å |
| 1466 | A | 72.2 | Confident | 81 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | trans | -151.4 | 148.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T1464 T1471 I1472 | T1464-A1466 HydrophobicContact CG2-CB 4.45Å; A1466-T1471 WeakPolarHBondContact CB-OG1 3.03Å; A1466-I1472 HydrophobicContact CB-CD1 3.61Å; A1466-I1472 HydrophobicContact CB-CG1 3.82Å | ||
| 1467 | H | 68.2 | Low | 81.3 | Confident | 127 Ų | 127 | 40.9 Ų | 40.9 | 59% | 0.588 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -83.8 | -27.2 | 169.7 | -165.8 | -61.4 | 0 | 0 | 0 | 111.8 | L1469 | H1467-L1469 PolarHBondContact O-N 3.03Š|
| 1468 | R | 69.8 | Low | 81.8 | Confident | 87 Ų | 87 | 40.6 Ų | 40.6 | 33% | 0.328 | 21% | 0.208 | S | C | . | . | trans | -83.2 | 100.3 | 175.4 | -67.2 | -175.8 | -176.5 | 175.4 | 3 | 108.6 | T1438 V1441 D1446 N1470 T1471 | T1438-R1468 PolarHBondContact O-NH1 3.35Å; V1441-R1468 PolarHBondContact O-NH2 3.11Å; D1446-R1468 IonicContact OD2-NH1 3.41Å; D1446-R1468 PolarHBondContact OD2-NH1 3.04Å; R1468-N1470 PolarHBondContact O-N 3.39Å; R1468-N1470 VanDerWaalsContact O-N 3.14Å; R1468-T1471 HydrophobicContact CB-CG2 4.13Å; R1468-T1471 PolarHBondContact O-N 3.29Å; R1468-T1471 PolarHBondContact O-OG1 3.46Å | ||
| 1469 | L | 78.2 | Confident | 82.3 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -53.8 | -34.4 | -179.6 | -79.7 | 136.2 | 0 | 0 | 0 | 112.8 | V1314 H1467 T1471 I1472 M1473 F1503 M1506 S1510 L1512 | V1314-L1469 HydrophobicContact CG1-CD2 4.46Å; H1467-L1469 PolarHBondContact O-N 3.03Å; L1469-T1471 PolarHBondContact O-N 3.13Å; L1469-I1472 PolarHBondContact O-N 3.21Å; L1469-M1473 WeakPolarHBondContact O-CG 3.43Å; L1469-M1473 PolarHBondContact O-N 3.42Å; L1469-M1473 VanDerWaalsContact O-N 3.08Å; L1469-F1503 HydrophobicContact CD2-CD2 3.97Å; L1469-F1503 HydrophobicContact CD2-CE2 3.2Å; L1469-F1503 HydrophobicContact CD2-CZ 3.64Å; L1469-M1506 HydrophobicContact CD1-CB 4.12Å; L1469-M1506 WeakPolarHBondContact CD1-O 3.13Å; L1469-S1510 WeakPolarHBondContact CD1-OG 3.47Å; L1469-L1512 HydrophobicContact CB-CD1 3.34Å; L1469-L1512 HydrophobicContact CG-CD1 4.47Å |
| 1470 | N | 78.7 | Confident | 82.7 | Confident | 104 Ų | 104 | 33.8 Ų | 33.8 | 56% | 0.556 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -51.9 | -33.4 | 175.8 | -57.3 | 26.4 | 0 | 0 | 0 | 113.3 | R1468 I1472 L1512 | R1468-N1470 PolarHBondContact O-N 3.39Å; R1468-N1470 VanDerWaalsContact O-N 3.14Å; N1470-I1472 VanDerWaalsContact C-N 3.29Å; N1470-I1472 PolarHBondContact O-N 3.4Å; N1470-L1512 WeakPolarHBondContact OD1-CD1 3.38Å; N1470-L1512 WeakPolarHBondContact OD1-CD2 3.07Å |
| 1471 | T | 75.3 | Confident | 82.8 | Confident | 15 Ų | 15 | 33.6 Ų | 33.6 | 9% | 0.092 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -79.2 | -12.7 | -179 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | A1466 R1468 L1469 | A1466-T1471 WeakPolarHBondContact CB-OG1 3.03Å; R1468-T1471 HydrophobicContact CB-CG2 4.13Å; R1468-T1471 PolarHBondContact O-N 3.29Å; R1468-T1471 PolarHBondContact O-OG1 3.46Å; L1469-T1471 PolarHBondContact O-N 3.13Å |
| 1472 | I | 81.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -15.9 | -179.5 | -62.8 | 173.8 | 0 | 0 | 0 | 111.2 | V1314 T1464 A1466 L1469 N1470 D1474 S1475 I1478 | V1314-I1472 HydrophobicContact CG1-CD1 3.36Å; V1314-I1472 HydrophobicContact CG1-CG2 4.45Å; T1464-I1472 HydrophobicContact CG2-CG1 4.07Å; A1466-I1472 HydrophobicContact CB-CD1 3.61Å; A1466-I1472 HydrophobicContact CB-CG1 3.82Å; L1469-I1472 PolarHBondContact O-N 3.21Å; N1470-I1472 VanDerWaalsContact C-N 3.29Å; N1470-I1472 PolarHBondContact O-N 3.4Å; I1472-D1474 PolarHBondContact O-N 3.37Å; I1472-S1475 WeakPolarHBondContact CG2-OG 3.37Å; I1472-S1475 WeakPolarHBondContact O-CB 3.46Å; I1472-S1475 PolarHBondContact O-N 3.37Å; I1472-S1475 PolarHBondContact O-OG 3Å; I1472-I1478 HydrophobicContact CG2-CD1 3.88Å; I1472-I1478 HydrophobicContact CG2-CG1 3.92Å |
| 1473 | M | 81.7 | Confident | 82.6 | Confident | 55 Ų | 55 | 40.2 Ų | 40.2 | 27% | 0.271 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.8 | -179.3 | -72.1 | -50.3 | -61.4 | 0 | 0 | 114 | L1469 S1475 P1492 L1496 F1503 | L1469-M1473 WeakPolarHBondContact O-CG 3.43Å; L1469-M1473 PolarHBondContact O-N 3.42Å; L1469-M1473 VanDerWaalsContact O-N 3.08Å; M1473-S1475 PolarHBondContact O-N 3.03Å; M1473-P1492 HydrophobicContact CE-CB 4.1Å; M1473-L1496 HydrophobicContact CE-CD1 3.59Å; M1473-F1503 HydrophobicContact SD-CZ 4.09Å |
| 1474 | D | 80.7 | Confident | 82.4 | Confident | 97 Ų | 97 | 39.8 Ų | 39.8 | 52% | 0.519 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 4.1 | 177.1 | -59.4 | -17.7 | 0 | 0 | 0 | 113.8 | R1454 I1472 | R1454-D1474 IonicContact CZ-OD2 3.81Å; R1454-D1474 IonicContact NE-OD2 3.89Å; R1454-D1474 IonicContact NH2-OD2 3.82Å; R1454-D1474 PolarHBondContact NH2-OD2 2.95Å; I1472-D1474 PolarHBondContact O-N 3.37Å |
| 1475 | S | 84.6 | Confident | 82.6 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | trans | -77.9 | 141.2 | 180 | -53.3 | 0 | 0 | 0 | 0 | 110.3 | K1310 I1472 M1473 R1477 P1492 | K1310-S1475 WeakPolarHBondContact O-CB 3.4Å; I1472-S1475 WeakPolarHBondContact CG2-OG 3.37Å; I1472-S1475 WeakPolarHBondContact O-CB 3.46Å; I1472-S1475 PolarHBondContact O-N 3.37Å; I1472-S1475 PolarHBondContact O-OG 3Å; M1473-S1475 PolarHBondContact O-N 3.03Å; S1475-R1477 PolarHBondContact O-N 2.85Å; S1475-P1492 VanDerWaalsContact O-CD 3.24Å; S1475-P1492 WeakPolarHBondContact O-CD 3.47Å; S1475-P1492 WeakPolarHBondContact O-CG 3.28Å | ||
| 1476 | E | 89.7 | Confident | 83 | Confident | 118 Ų | 118 | 46.4 Ų | 46.4 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -67.5 | -26.6 | 176.7 | -65.8 | 174.7 | 177.5 | 0 | 0 | 111.3 | E1309 K1310 | E1309-E1476 HydrophobicContact CG-CB 4.41Å; E1309-E1476 WeakPolarHBondContact CG-OE2 3.37Å; K1310-E1476 PolarHBondContact O-N 3.11Å |
| 1477 | R | 90.6 | Very high | 83.9 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 149.1 | 179 | -161.9 | 164.6 | 59.1 | 161.5 | -7.1 | 112.3 | V1304 I1305 E1309 K1310 A1311 G1312 S1475 N1489 | V1304-R1477 PolarHBondContact O-NH1 3.25Å; V1304-R1477 PolarHBondContact O-NH2 3.18Å; I1305-R1477 VanDerWaalsContact CA-NH2 3.33Å; E1309-R1477 VanDerWaalsContact CD-NH2 3.27Å; E1309-R1477 WeakPolarHBondContact OE1-CB 3.37Å; E1309-R1477 IonicContact OE1-CZ 3.03Å; E1309-R1477 IonicContact OE1-NE 2.69Å; E1309-R1477 PolarHBondContact OE1-NE 2.99Å; E1309-R1477 IonicContact OE1-NH2 2.75Å; E1309-R1477 PolarHBondContact OE1-NH2 3.31Å; E1309-R1477 IonicContact OE2-CZ 3.64Å; E1309-R1477 IonicContact OE2-NH2 2.98Å; E1309-R1477 PolarHBondContact OE2-NH2 3.45Å; K1310-R1477 PolarHBondContact O-N 2.98Å; A1311-R1477 CarbonylContact C-O 3.55Å; A1311-R1477 WeakPolarHBondContact CA-O 3.36Å; G1312-R1477 PolarHBondContact N-O 2.89Å; S1475-R1477 PolarHBondContact O-N 2.85Å; R1477-N1489 WeakPolarHBondContact CD-OD1 3.28Å; R1477-N1489 WeakPolarHBondContact CG-OD1 3.29Å |
| 1478 | I | 91.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129.7 | 177.7 | -60.8 | -176.1 | 0 | 0 | 0 | 109.5 | G1312 V1314 I1472 V1480 N1489 N1490 P1492 L1495 F1503 | G1312-I1478 CarbonylContact O-C 3.43Å; G1312-I1478 WeakPolarHBondContact O-CA 3.32Å; V1314-I1478 HydrophobicContact CG1-CG2 4.45Å; V1314-I1478 HydrophobicContact CG2-CG2 3.53Å; I1472-I1478 HydrophobicContact CG2-CD1 3.88Å; I1472-I1478 HydrophobicContact CG2-CG1 3.92Å; I1478-V1480 HydrophobicContact CG2-CG2 4.21Å; I1478-N1489 WeakPolarHBondContact O-CA 3.29Å; I1478-N1490 PolarHBondContact N-O 2.96Å; I1478-N1490 PolarHBondContact O-N 3.25Å; I1478-P1492 HydrophobicContact CD1-CB 3.74Å; I1478-P1492 HydrophobicContact CD1-CG 3.7Å; I1478-P1492 HydrophobicContact CG1-CB 4.5Å; I1478-P1492 HydrophobicContact CG1-CG 4Å; I1478-L1495 HydrophobicContact CB-CD1 3.75Å; I1478-L1495 HydrophobicContact CG2-CD1 3.98Å; I1478-F1503 HydrophobicContact CD1-CD2 4.35Å; I1478-F1503 HydrophobicContact CD1-CE1 4.06Å; I1478-F1503 HydrophobicContact CD1-CE2 3.46Å; I1478-F1503 VanDerWaalsContact CD1-CE2 3.46Å; I1478-F1503 HydrophobicContact CD1-CZ 3.29Å; I1478-F1503 HydrophobicContact CG2-CD2 3.91Å; I1478-F1503 HydrophobicContact CG2-CE2 3.82Å |
| 1479 | L | 91.2 | Very high | 85.8 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.2 | 175.4 | -59 | 176.6 | 0 | 0 | 0 | 109 | F1303 G1312 I1313 V1314 L1486 E1488 N1489 | F1303-L1479 HydrophobicContact CB-CD2 4.45Å; F1303-L1479 HydrophobicContact CD1-CD1 4.35Å; F1303-L1479 HydrophobicContact CD2-CD1 3.81Å; F1303-L1479 HydrophobicContact CE1-CD1 4.3Å; F1303-L1479 HydrophobicContact CE2-CD1 3.78Å; F1303-L1479 HydrophobicContact CG-CD1 4.12Å; F1303-L1479 HydrophobicContact CG-CD2 4.47Å; F1303-L1479 HydrophobicContact CZ-CD1 4.02Å; G1312-L1479 PolarHBondContact O-N 2.94Å; I1313-L1479 WeakPolarHBondContact CA-O 3.36Å; I1313-L1479 HydrophobicContact CG1-CB 4.19Å; I1313-L1479 HydrophobicContact CG1-CD1 4.05Å; V1314-L1479 PolarHBondContact N-O 3.48Å; L1479-L1486 HydrophobicContact CB-CD1 3.86Å; L1479-L1486 HydrophobicContact CD2-CD1 4.06Å; L1479-L1486 HydrophobicContact CD2-CD2 4.48Å; L1479-L1486 HydrophobicContact CG-CD1 4.49Å; L1479-E1488 WeakPolarHBondContact CA-O 3.41Å; L1479-N1489 HydrophobicContact CD2-CB 3.86Å; L1479-N1489 WeakPolarHBondContact CD2-OD1 3.49Å |
| 1480 | V | 90.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.6 | 179.1 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | V1314 I1478 I1487 E1488 L1495 E1502 F1503 M1506 | V1314-V1480 HydrophobicContact CG2-CB 4.35Å; V1314-V1480 HydrophobicContact CG2-CG2 3.7Å; I1478-V1480 HydrophobicContact CG2-CG2 4.21Å; V1480-I1487 PolarHBondContact O-N 3.21Å; V1480-E1488 HydrophobicContact CB-CB 3.81Å; V1480-E1488 HydrophobicContact CB-CG 4.11Å; V1480-E1488 HydrophobicContact CG2-CB 3.78Å; V1480-E1488 HydrophobicContact CG2-CG 4.28Å; V1480-E1488 WeakPolarHBondContact CG2-OE2 3.33Å; V1480-E1488 PolarHBondContact N-O 3.34Å; V1480-E1488 PolarHBondContact O-N 3.48Å; V1480-L1495 HydrophobicContact CG2-CD1 4.46Å; V1480-E1502 HydrophobicContact CG1-CB 4.2Å; V1480-E1502 HydrophobicContact CG1-CG 4.38Å; V1480-F1503 HydrophobicContact CG2-CB 4.09Å; V1480-F1503 HydrophobicContact CG2-CD2 4.37Å; V1480-M1506 HydrophobicContact CG1-CE 3.71Å |
| 1481 | L | 88.7 | Confident | 86.9 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 137.8 | 178.2 | -69.5 | 163.6 | 0 | 0 | 0 | 110.8 | I1301 I1313 V1314 G1315 A1319 K1321 V1324 Y1485 L1486 | I1301-L1481 HydrophobicContact CD1-CD2 3.67Å; I1313-L1481 HydrophobicContact CG2-CD1 3.53Å; I1313-L1481 HydrophobicContact CG2-CG 4.39Å; V1314-L1481 PolarHBondContact O-N 2.86Å; G1315-L1481 WeakPolarHBondContact CA-O 3.42Å; A1319-L1481 HydrophobicContact CB-CB 4.28Å; A1319-L1481 WeakPolarHBondContact CB-O 3.49Å; K1321-L1481 HydrophobicContact CB-CD1 4.5Å; K1321-L1481 HydrophobicContact CG-CD1 4.26Å; V1324-L1481 HydrophobicContact CG2-CD1 3.74Å; L1481-Y1485 WeakPolarHBondContact CA-O 3.38Å; L1481-L1486 HydrophobicContact CD2-CB 4.34Å; L1481-L1486 HydrophobicContact CD2-CD1 4.27Å |
| 1482 | S | 86.3 | Confident | 87.4 | Confident | 14 Ų | 14 | 44 Ų | 44 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 133.6 | 172.3 | -154.3 | 0 | 0 | 0 | 0 | 110.8 | G1484 Y1485 E1502 | S1482-G1484 PolarHBondContact O-N 3.27Å; S1482-Y1485 PolarHBondContact N-O 2.95Å; S1482-Y1485 PolarHBondContact O-N 2.81Å; S1482-E1502 WeakPolarHBondContact CB-OE2 3.25Å; S1482-E1502 PolarHBondContact OG-OE1 3.14Å |
| 1483 | N | 81.9 | Confident | 87.6 | Confident | 129 Ų | 129 | 50.8 Ų | 50.8 | 69% | 0.69 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 27.3 | 179.9 | -63.7 | -40.2 | 0 | 0 | 0 | 115.9 | K1299 | K1299-N1483 PolarHBondContact NZ-O 2.99Š|
| 1484 | G | 82.7 | Confident | 87.9 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 3.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1297 L1298 K1299 I1301 A1319 S1482 | A1297-G1484 VanDerWaalsContact O-CA 3.23Å; A1297-G1484 WeakPolarHBondContact O-CA 3.07Å; L1298-G1484 WeakPolarHBondContact CA-O 3.19Å; K1299-G1484 PolarHBondContact N-O 3.26Å; I1301-G1484 WeakPolarHBondContact CD1-O 3.29Å; A1319-G1484 WeakPolarHBondContact O-CA 3.17Å; A1319-G1484 PolarHBondContact O-N 3.41Å; S1482-G1484 PolarHBondContact O-N 3.27Å |
| 1485 | Y | 89.7 | Confident | 88.2 | Confident | 119 Ų | 119 | 47.5 Ų | 47.5 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 153.3 | 174.1 | -65 | -82.9 | 0 | 0 | 0 | 110.9 | K1299 L1481 S1482 | K1299-Y1485 HydrophobicContact CB-CD1 3.89Å; K1299-Y1485 HydrophobicContact CB-CE1 3.47Å; K1299-Y1485 VanDerWaalsContact CB-CE1 3.47Å; K1299-Y1485 HydrophobicContact CB-CE2 4.14Å; K1299-Y1485 HydrophobicContact CB-CG 4.39Å; K1299-Y1485 HydrophobicContact CD-CD2 4.25Å; K1299-Y1485 HydrophobicContact CD-CE1 4.28Å; K1299-Y1485 HydrophobicContact CD-CE2 3.49Å; K1299-Y1485 VanDerWaalsContact CD-CE2 3.49Å; K1299-Y1485 WeakPolarHBondContact CD-OH 3.45Å; K1299-Y1485 HydrophobicContact CG-CE2 4.47Å; K1299-Y1485 VanDerWaalsContact O-CD1 3.27Å; K1299-Y1485 WeakPolarHBondContact O-CD1 3.34Å; L1481-Y1485 WeakPolarHBondContact CA-O 3.38Å; S1482-Y1485 PolarHBondContact N-O 2.95Å; S1482-Y1485 PolarHBondContact O-N 2.81Å |
| 1486 | L | 90.7 | Very high | 88.3 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 115.6 | 168.3 | -178.8 | 70.8 | 0 | 0 | 0 | 108.3 | I1301 F1303 L1479 L1481 N1489 | I1301-L1486 HydrophobicContact CD1-CB 3.97Å; F1303-L1486 HydrophobicContact CB-CD2 4.02Å; F1303-L1486 HydrophobicContact CD1-CD2 4.15Å; F1303-L1486 HydrophobicContact CG-CD2 4.49Å; L1479-L1486 HydrophobicContact CB-CD1 3.86Å; L1479-L1486 HydrophobicContact CD2-CD1 4.06Å; L1479-L1486 HydrophobicContact CD2-CD2 4.48Å; L1479-L1486 HydrophobicContact CG-CD1 4.49Å; L1481-L1486 HydrophobicContact CD2-CB 4.34Å; L1481-L1486 HydrophobicContact CD2-CD1 4.27Å; L1486-N1489 HydrophobicContact CD2-CB 4.39Å |
| 1487 | I | 89.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 50.8 Ų | 50.8 | 48% | 0.482 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -46.5 | -177.7 | -58.9 | -159.7 | 0 | 0 | 0 | 110.9 | V1480 | V1480-I1487 PolarHBondContact O-N 3.21Å |
| 1488 | E | 89.6 | Confident | 87.9 | Confident | 29 Ų | 29 | 53 Ų | 53 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 145.6 | -174.3 | -45.5 | 177.4 | 160.8 | 0 | 0 | 110.7 | L1479 V1480 L1495 S1501 E1502 F1503 | L1479-E1488 WeakPolarHBondContact CA-O 3.41Å; V1480-E1488 HydrophobicContact CB-CB 3.81Å; V1480-E1488 HydrophobicContact CB-CG 4.11Å; V1480-E1488 HydrophobicContact CG2-CB 3.78Å; V1480-E1488 HydrophobicContact CG2-CG 4.28Å; V1480-E1488 WeakPolarHBondContact CG2-OE2 3.33Å; V1480-E1488 PolarHBondContact N-O 3.34Å; V1480-E1488 PolarHBondContact O-N 3.48Å; E1488-L1495 HydrophobicContact CB-CD2 3.92Å; E1488-S1501 WeakPolarHBondContact OE1-CA 3.34Å; E1488-S1501 WeakPolarHBondContact OE1-CB 3.37Å; E1488-E1502 PolarHBondContact OE1-N 2.85Å; E1488-F1503 WeakPolarHBondContact OE2-CB 3.3Å; E1488-F1503 PolarHBondContact OE2-N 3.01Å; E1488-F1503 VanDerWaalsContact OE2-N 3.17Å |
| 1489 | N | 90.2 | Very high | 87.5 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 34% | 0.342 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 88.4 | -178.7 | -180 | 8.8 | 0 | 0 | 0 | 109.4 | R1477 I1478 L1479 L1486 | R1477-N1489 WeakPolarHBondContact CD-OD1 3.28Å; R1477-N1489 WeakPolarHBondContact CG-OD1 3.29Å; I1478-N1489 WeakPolarHBondContact O-CA 3.29Å; L1479-N1489 HydrophobicContact CD2-CB 3.86Å; L1479-N1489 WeakPolarHBondContact CD2-OD1 3.49Å; L1486-N1489 HydrophobicContact CD2-CB 4.39Å |
| 1490 | N | 89.4 | Confident | 87.1 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 177 | -176.9 | -146.8 | -26.3 | 0 | 0 | 0 | 112 | I1478 N1494 L1495 | I1478-N1490 PolarHBondContact N-O 2.96Å; I1478-N1490 PolarHBondContact O-N 3.25Å; N1490-N1494 HydrophobicContact CB-CB 4.34Å; N1490-N1494 PolarHBondContact OD1-ND2 3.37Å; N1490-L1495 HydrophobicContact CB-CD2 3.85Å; N1490-L1495 HydrophobicContact CB-CG 4Å |
| 1491 | S | 89 | Confident | 86.7 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | trans | -67.7 | 152.3 | 173.5 | 67.4 | 0 | 0 | 0 | 0 | 111.3 | E1493 N1494 L1495 | S1491-E1493 PolarHBondContact O-N 3.42Å; S1491-N1494 PolarHBondContact O-N 3Å; S1491-N1494 VanDerWaalsContact O-N 3.17Å; S1491-N1494 WeakPolarHBondContact OG-CB 3.15Å; S1491-N1494 PolarHBondContact OG-N 3.44Å; S1491-N1494 PolarHBondContact OG-ND2 3.32Å; S1491-N1494 VanDerWaalsContact OG-ND2 3.16Å; S1491-L1495 WeakPolarHBondContact O-CG 3.23Å; S1491-L1495 PolarHBondContact O-N 2.99Å; S1491-L1495 VanDerWaalsContact O-N 3.07Å | ||
| 1492 | P | 86.2 | Confident | 86.4 | Confident | 11 Ų | 11 | 69 Ų | 69 | 7% | 0.071 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.1 | -41 | 178.2 | -16.9 | 23.5 | 0 | 0 | 0 | 112.5 | M1473 S1475 I1478 L1495 L1496 | M1473-P1492 HydrophobicContact CE-CB 4.1Å; S1475-P1492 VanDerWaalsContact O-CD 3.24Å; S1475-P1492 WeakPolarHBondContact O-CD 3.47Å; S1475-P1492 WeakPolarHBondContact O-CG 3.28Å; I1478-P1492 HydrophobicContact CD1-CB 3.74Å; I1478-P1492 HydrophobicContact CD1-CG 3.7Å; I1478-P1492 HydrophobicContact CG1-CB 4.5Å; I1478-P1492 HydrophobicContact CG1-CG 4Å; P1492-L1495 PolarHBondContact O-N 3.04Å; P1492-L1496 WeakPolarHBondContact O-CB 3.3Å; P1492-L1496 VanDerWaalsContact O-CG 3.32Å; P1492-L1496 WeakPolarHBondContact O-CG 3.24Å; P1492-L1496 PolarHBondContact O-N 2.86Å |
| 1493 | E | 86.2 | Confident | 86.3 | Confident | 143 Ų | 143 | 68.3 Ų | 68.3 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61 | -45.3 | 178.6 | -63.6 | 179 | 178 | 0 | 0 | 111.9 | S1491 L1496 M1497 | S1491-E1493 PolarHBondContact O-N 3.42Å; E1493-L1496 PolarHBondContact O-N 2.68Å; E1493-M1497 WeakPolarHBondContact O-CG 3.24Å; E1493-M1497 PolarHBondContact O-N 3.08Å; E1493-M1497 VanDerWaalsContact O-N 3.11Å |
| 1494 | N | 88.5 | Confident | 86.5 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 40% | 0.401 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.8 | -37.4 | 179.8 | -73.4 | -17.1 | 0 | 0 | 0 | 112.1 | N1490 S1491 M1497 D1498 | N1490-N1494 HydrophobicContact CB-CB 4.34Å; N1490-N1494 PolarHBondContact OD1-ND2 3.37Å; S1491-N1494 PolarHBondContact O-N 3Å; S1491-N1494 VanDerWaalsContact O-N 3.17Å; S1491-N1494 WeakPolarHBondContact OG-CB 3.15Å; S1491-N1494 PolarHBondContact OG-N 3.44Å; S1491-N1494 PolarHBondContact OG-ND2 3.32Å; S1491-N1494 VanDerWaalsContact OG-ND2 3.16Å; N1494-M1497 PolarHBondContact O-N 2.98Å; N1494-D1498 PolarHBondContact O-N 3.05Å |
| 1495 | L | 87.3 | Confident | 86.5 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.6 | -36.4 | 177.1 | -66.1 | 176.5 | 0 | 0 | 0 | 111.8 | I1478 V1480 E1488 N1490 S1491 P1492 M1497 D1498 S1501 F1503 | I1478-L1495 HydrophobicContact CB-CD1 3.75Å; I1478-L1495 HydrophobicContact CG2-CD1 3.98Å; V1480-L1495 HydrophobicContact CG2-CD1 4.46Å; E1488-L1495 HydrophobicContact CB-CD2 3.92Å; N1490-L1495 HydrophobicContact CB-CD2 3.85Å; N1490-L1495 HydrophobicContact CB-CG 4Å; S1491-L1495 WeakPolarHBondContact O-CG 3.23Å; S1491-L1495 PolarHBondContact O-N 2.99Å; S1491-L1495 VanDerWaalsContact O-N 3.07Å; P1492-L1495 PolarHBondContact O-N 3.04Å; L1495-M1497 VanDerWaalsContact C-N 3.33Å; L1495-D1498 PolarHBondContact O-N 3.27Å; L1495-S1501 PolarHBondContact O-OG 3.12Å; L1495-F1503 HydrophobicContact CB-CB 3.93Å; L1495-F1503 HydrophobicContact CB-CD1 3.47Å; L1495-F1503 VanDerWaalsContact CB-CD1 3.47Å; L1495-F1503 HydrophobicContact CB-CE1 4.28Å; L1495-F1503 HydrophobicContact CB-CG 3.91Å; L1495-F1503 HydrophobicContact CD1-CB 4Å; L1495-F1503 HydrophobicContact CD1-CD1 4.1Å; L1495-F1503 HydrophobicContact CD1-CD2 4.33Å; L1495-F1503 HydrophobicContact CD1-CG 3.88Å; L1495-F1503 HydrophobicContact CG-CB 4.42Å; L1495-F1503 HydrophobicContact CG-CD1 4.44Å |
| 1496 | L | 86.2 | Confident | 86 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.3 | -25.9 | 175.8 | -72 | 177.3 | 0 | 0 | 0 | 113.5 | M1473 P1492 E1493 D1498 F1503 Y1504 A1507 V1513 | M1473-L1496 HydrophobicContact CE-CD1 3.59Å; P1492-L1496 WeakPolarHBondContact O-CB 3.3Å; P1492-L1496 VanDerWaalsContact O-CG 3.32Å; P1492-L1496 WeakPolarHBondContact O-CG 3.24Å; P1492-L1496 PolarHBondContact O-N 2.86Å; E1493-L1496 PolarHBondContact O-N 2.68Å; L1496-D1498 VanDerWaalsContact C-N 3.31Å; L1496-F1503 HydrophobicContact CD2-CD1 4.13Å; L1496-F1503 HydrophobicContact CD2-CE1 3.88Å; L1496-F1503 HydrophobicContact CG-CD1 4.35Å; L1496-F1503 HydrophobicContact CG-CE1 3.97Å; L1496-Y1504 WeakPolarHBondContact O-CD2 3.42Å; L1496-A1507 HydrophobicContact CD2-CB 3.68Å; L1496-V1513 HydrophobicContact CD2-CG2 3.6Å |
| 1497 | M | 86.3 | Confident | 85.6 | Confident | 152 Ų | 152 | 59.9 Ų | 59.9 | 75% | 0.749 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -73.9 | -23 | 173.9 | -71.9 | -174.6 | -169.1 | 0 | 0 | 112.9 | E1493 N1494 L1495 N1499 | E1493-M1497 WeakPolarHBondContact O-CG 3.24Å; E1493-M1497 PolarHBondContact O-N 3.08Å; E1493-M1497 VanDerWaalsContact O-N 3.11Å; N1494-M1497 PolarHBondContact O-N 2.98Å; L1495-M1497 VanDerWaalsContact C-N 3.33Å; M1497-N1499 PolarHBondContact O-N 3.01Å |
| 1498 | D | 85.5 | Confident | 85.2 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | trans | -91.4 | 99.6 | 178.8 | -171.6 | -2.9 | 0 | 0 | 0 | 111 | N1494 L1495 L1496 E1500 S1501 Y1504 | N1494-D1498 PolarHBondContact O-N 3.05Å; L1495-D1498 PolarHBondContact O-N 3.27Å; L1496-D1498 VanDerWaalsContact C-N 3.31Å; D1498-E1500 PolarHBondContact O-N 3.38Å; D1498-E1500 PolarHBondContact OD1-N 3.45Å; D1498-S1501 WeakPolarHBondContact O-CB 3.35Å; D1498-S1501 PolarHBondContact O-N 3.4Å; D1498-S1501 PolarHBondContact O-OG 3.15Å; D1498-Y1504 WeakPolarHBondContact O-CB 3.4Å | ||
| 1499 | N | 81.9 | Confident | 84.3 | Confident | 115 Ų | 115 | 67.1 Ų | 67.1 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16 | 178.4 | -68.8 | -18.9 | 0 | 0 | 0 | 113.5 | M1497 Y1504 | M1497-N1499 PolarHBondContact O-N 3.01Å; N1499-Y1504 VanDerWaalsContact OD1-CE2 3.29Å; N1499-Y1504 WeakPolarHBondContact OD1-CE2 3.38Å |
| 1500 | E | 82.6 | Confident | 83.3 | Confident | 186 Ų | 186 | 66.6 Ų | 66.6 | 87% | 0.869 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6.7 | 176.1 | -62.4 | -166.5 | 164.6 | 0 | 0 | 112.8 | D1498 | D1498-E1500 PolarHBondContact O-N 3.38Å; D1498-E1500 PolarHBondContact OD1-N 3.45Å |
| 1501 | S | 82.5 | Confident | 82.4 | Confident | 4 Ų | 4 | 70.2 Ų | 70.2 | 3% | 0.028 | 35% | 0.353 | C | S | . | . | trans | -71.9 | 144.1 | -176.7 | 72.9 | 0 | 0 | 0 | 0 | 113.5 | E1488 L1495 D1498 F1503 Y1504 S1505 | E1488-S1501 WeakPolarHBondContact OE1-CA 3.34Å; E1488-S1501 WeakPolarHBondContact OE1-CB 3.37Å; L1495-S1501 PolarHBondContact O-OG 3.12Å; D1498-S1501 WeakPolarHBondContact O-CB 3.35Å; D1498-S1501 PolarHBondContact O-N 3.4Å; D1498-S1501 PolarHBondContact O-OG 3.15Å; S1501-F1503 PolarHBondContact O-N 3.17Å; S1501-Y1504 PolarHBondContact O-N 3Å; S1501-Y1504 WeakPolarHBondContact OG-CB 3.4Å; S1501-Y1504 PolarHBondContact OG-N 3.37Å; S1501-S1505 PolarHBondContact O-N 3.29Å; S1501-S1505 VanDerWaalsContact O-N 3.16Å | ||
| 1502 | E | 82.2 | Confident | 81.5 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 16% | 0.164 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -31.2 | 172.8 | -166.7 | 173.5 | -171.5 | 0 | 0 | 110.1 | V1480 S1482 E1488 S1505 M1506 | V1480-E1502 HydrophobicContact CG1-CB 4.2Å; V1480-E1502 HydrophobicContact CG1-CG 4.38Å; S1482-E1502 WeakPolarHBondContact CB-OE2 3.25Å; S1482-E1502 PolarHBondContact OG-OE1 3.14Å; E1488-E1502 PolarHBondContact OE1-N 2.85Å; E1502-S1505 PolarHBondContact O-N 3.02Å; E1502-M1506 HydrophobicContact CG-CE 4.3Å; E1502-M1506 WeakPolarHBondContact O-CE 3.5Å; E1502-M1506 WeakPolarHBondContact O-CG 3.45Å; E1502-M1506 PolarHBondContact O-N 3.44Å |
| 1503 | F | 85.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 170.7 | -170.8 | -104.6 | 0 | 0 | 0 | 113.3 | V1314 L1469 M1473 I1478 V1480 E1488 L1495 L1496 S1501 S1505 M1506 A1507 | V1314-F1503 HydrophobicContact CG2-CD2 3.89Å; V1314-F1503 HydrophobicContact CG2-CE2 4.18Å; L1469-F1503 HydrophobicContact CD2-CD2 3.97Å; L1469-F1503 HydrophobicContact CD2-CE2 3.2Å; L1469-F1503 HydrophobicContact CD2-CZ 3.64Å; M1473-F1503 HydrophobicContact SD-CZ 4.09Å; I1478-F1503 HydrophobicContact CD1-CD2 4.35Å; I1478-F1503 HydrophobicContact CD1-CE1 4.06Å; I1478-F1503 HydrophobicContact CD1-CE2 3.46Å; I1478-F1503 VanDerWaalsContact CD1-CE2 3.46Å; I1478-F1503 HydrophobicContact CD1-CZ 3.29Å; I1478-F1503 HydrophobicContact CG2-CD2 3.91Å; I1478-F1503 HydrophobicContact CG2-CE2 3.82Å; V1480-F1503 HydrophobicContact CG2-CB 4.09Å; V1480-F1503 HydrophobicContact CG2-CD2 4.37Å; E1488-F1503 WeakPolarHBondContact OE2-CB 3.3Å; E1488-F1503 PolarHBondContact OE2-N 3.01Å; E1488-F1503 VanDerWaalsContact OE2-N 3.17Å; L1495-F1503 HydrophobicContact CB-CB 3.93Å; L1495-F1503 HydrophobicContact CB-CD1 3.47Å; L1495-F1503 VanDerWaalsContact CB-CD1 3.47Å; L1495-F1503 HydrophobicContact CB-CE1 4.28Å; L1495-F1503 HydrophobicContact CB-CG 3.91Å; L1495-F1503 HydrophobicContact CD1-CB 4Å; L1495-F1503 HydrophobicContact CD1-CD1 4.1Å; L1495-F1503 HydrophobicContact CD1-CD2 4.33Å; L1495-F1503 HydrophobicContact CD1-CG 3.88Å; L1495-F1503 HydrophobicContact CG-CB 4.42Å; L1495-F1503 HydrophobicContact CG-CD1 4.44Å; L1496-F1503 HydrophobicContact CD2-CD1 4.13Å; L1496-F1503 HydrophobicContact CD2-CE1 3.88Å; L1496-F1503 HydrophobicContact CG-CD1 4.35Å; L1496-F1503 HydrophobicContact CG-CE1 3.97Å; S1501-F1503 PolarHBondContact O-N 3.17Å; F1503-S1505 VanDerWaalsContact C-N 3.3Å; F1503-S1505 PolarHBondContact O-N 3.4Å; F1503-M1506 PolarHBondContact O-N 3.11Å; F1503-M1506 VanDerWaalsContact O-N 3.12Å; F1503-A1507 WeakPolarHBondContact O-CB 3.42Å; F1503-A1507 PolarHBondContact O-N 3.31Å |
| 1504 | Y | 85.2 | Confident | 80.1 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 18% | 0.184 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 176.6 | 179 | -89.7 | 0 | 0 | 0 | 111.2 | L1496 D1498 N1499 S1501 M1506 A1507 R1508 V1513 | L1496-Y1504 WeakPolarHBondContact O-CD2 3.42Å; D1498-Y1504 WeakPolarHBondContact O-CB 3.4Å; N1499-Y1504 VanDerWaalsContact OD1-CE2 3.29Å; N1499-Y1504 WeakPolarHBondContact OD1-CE2 3.38Å; S1501-Y1504 PolarHBondContact O-N 3Å; S1501-Y1504 WeakPolarHBondContact OG-CB 3.4Å; S1501-Y1504 PolarHBondContact OG-N 3.37Å; Y1504-M1506 VanDerWaalsContact C-N 3.34Å; Y1504-M1506 PolarHBondContact O-N 3.12Å; Y1504-A1507 PolarHBondContact O-N 3.19Å; Y1504-R1508 WeakPolarHBondContact O-CB 3.22Å; Y1504-R1508 PolarHBondContact O-N 3.4Å; Y1504-V1513 HydrophobicContact CD2-CG1 4.46Å; Y1504-V1513 HydrophobicContact CE2-CB 4.45Å; Y1504-V1513 HydrophobicContact CE2-CG1 3.62Å |
| 1505 | S | 82.3 | Confident | 79.6 | Confident | 50 Ų | 50 | 73 Ų | 73 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 173.7 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | S1501 E1502 F1503 R1508 E1509 | S1501-S1505 PolarHBondContact O-N 3.29Å; S1501-S1505 VanDerWaalsContact O-N 3.16Å; E1502-S1505 PolarHBondContact O-N 3.02Å; F1503-S1505 VanDerWaalsContact C-N 3.3Å; F1503-S1505 PolarHBondContact O-N 3.4Å; S1505-R1508 PolarHBondContact O-N 3.45Å; S1505-E1509 WeakPolarHBondContact O-CB 3.45Å; S1505-E1509 VanDerWaalsContact O-CG 3.28Å; S1505-E1509 WeakPolarHBondContact O-CG 3.49Å; S1505-E1509 PolarHBondContact O-N 2.98Å |
| 1506 | M | 80.8 | Confident | 79.2 | Confident | 18 Ų | 18 | 76.6 Ų | 76.6 | 9% | 0.089 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.3 | -36.5 | 178.2 | -71.9 | -173.7 | -74.5 | 0 | 0 | 112.6 | V1314 L1469 V1480 E1502 F1503 Y1504 E1509 S1510 | V1314-M1506 HydrophobicContact CB-CE 4.44Å; V1314-M1506 HydrophobicContact CG2-CE 3.98Å; L1469-M1506 HydrophobicContact CD1-CB 4.12Å; L1469-M1506 WeakPolarHBondContact CD1-O 3.13Å; V1480-M1506 HydrophobicContact CG1-CE 3.71Å; E1502-M1506 HydrophobicContact CG-CE 4.3Å; E1502-M1506 WeakPolarHBondContact O-CE 3.5Å; E1502-M1506 WeakPolarHBondContact O-CG 3.45Å; E1502-M1506 PolarHBondContact O-N 3.44Å; F1503-M1506 PolarHBondContact O-N 3.11Å; F1503-M1506 VanDerWaalsContact O-N 3.12Å; Y1504-M1506 VanDerWaalsContact C-N 3.34Å; Y1504-M1506 PolarHBondContact O-N 3.12Å; M1506-E1509 PolarHBondContact O-N 3.39Å; M1506-S1510 WeakPolarHBondContact O-CB 3.32Å; M1506-S1510 PolarHBondContact O-N 3.12Å; M1506-S1510 PolarHBondContact O-OG 3.33Å |
| 1507 | A | 81.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1496 F1503 Y1504 S1510 N1511 L1512 V1513 | L1496-A1507 HydrophobicContact CD2-CB 3.68Å; F1503-A1507 WeakPolarHBondContact O-CB 3.42Å; F1503-A1507 PolarHBondContact O-N 3.31Å; Y1504-A1507 PolarHBondContact O-N 3.19Å; A1507-S1510 CarbonylContact O-C 3.54Å; A1507-S1510 PolarHBondContact O-N 3.3Å; A1507-S1510 VanDerWaalsContact O-N 3.11Å; A1507-N1511 PolarHBondContact O-N 2.69Å; A1507-L1512 HydrophobicContact CB-CB 4.26Å; A1507-L1512 PolarHBondContact O-N 2.9Å; A1507-V1513 HydrophobicContact CB-CG2 3.86Å |
| 1508 | R | 80.2 | Confident | 78.3 | Confident | 149 Ų | 149 | 73.8 Ų | 73.8 | 56% | 0.562 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 173.3 | -171.8 | -179.1 | 177.8 | -172.4 | 1.4 | 112.2 | Y1504 S1505 S1510 N1511 | Y1504-R1508 WeakPolarHBondContact O-CB 3.22Å; Y1504-R1508 PolarHBondContact O-N 3.4Å; S1505-R1508 PolarHBondContact O-N 3.45Å; R1508-S1510 PolarHBondContact O-N 3.07Å; R1508-N1511 PolarHBondContact O-N 3.34Å |
| 1509 | E | 72 | Confident | 77.9 | Confident | 126 Ų | 126 | 73.3 Ų | 73.3 | 59% | 0.589 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.7 | -23.7 | 172.9 | -76.6 | 172.9 | -162.4 | 0 | 0 | 112.6 | S1505 M1506 | S1505-E1509 WeakPolarHBondContact O-CB 3.45Å; S1505-E1509 VanDerWaalsContact O-CG 3.28Å; S1505-E1509 WeakPolarHBondContact O-CG 3.49Å; S1505-E1509 PolarHBondContact O-N 2.98Å; M1506-E1509 PolarHBondContact O-N 3.39Å |
| 1510 | S | 69 | Low | 77.6 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 12.1 | -178.6 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | L1469 M1506 A1507 R1508 L1512 | L1469-S1510 WeakPolarHBondContact CD1-OG 3.47Å; M1506-S1510 WeakPolarHBondContact O-CB 3.32Å; M1506-S1510 PolarHBondContact O-N 3.12Å; M1506-S1510 PolarHBondContact O-OG 3.33Å; A1507-S1510 CarbonylContact O-C 3.54Å; A1507-S1510 PolarHBondContact O-N 3.3Å; A1507-S1510 VanDerWaalsContact O-N 3.11Å; R1508-S1510 PolarHBondContact O-N 3.07Å; S1510-L1512 VanDerWaalsContact C-N 3.29Å; S1510-L1512 PolarHBondContact O-N 3.06Å |
| 1511 | N | 70.5 | Confident | 77.2 | Confident | 148 Ų | 148 | 61.4 Ų | 61.4 | 79% | 0.791 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 37.4 | -178.7 | -62.7 | -21.1 | 0 | 0 | 0 | 114.2 | A1507 R1508 | A1507-N1511 PolarHBondContact O-N 2.69Å; R1508-N1511 PolarHBondContact O-N 3.34Å |
| 1512 | L | 69.1 | Low | 76.7 | Confident | 63 Ų | 63 | 66.2 Ų | 66.2 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | trans | -98.5 | -9.3 | 174.3 | -76.8 | 167.8 | 0 | 0 | 0 | 113.7 | L1469 N1470 A1507 S1510 | L1469-L1512 HydrophobicContact CB-CD1 3.34Å; L1469-L1512 HydrophobicContact CG-CD1 4.47Å; N1470-L1512 WeakPolarHBondContact OD1-CD1 3.38Å; N1470-L1512 WeakPolarHBondContact OD1-CD2 3.07Å; A1507-L1512 HydrophobicContact CB-CB 4.26Å; A1507-L1512 PolarHBondContact O-N 2.9Å; S1510-L1512 VanDerWaalsContact C-N 3.29Å; S1510-L1512 PolarHBondContact O-N 3.06Å | ||
| 1513 | V | 62.8 | Low | 76.3 | Confident | 106 Ų | 106 | 69 Ų | 69 | 64% | 0.642 | 36% | 0.355 | S | S | * | . | trans | -138.6 | 0 | -178.9 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | L1496 Y1504 A1507 | L1496-V1513 HydrophobicContact CD2-CG2 3.6Å; Y1504-V1513 HydrophobicContact CD2-CG1 4.46Å; Y1504-V1513 HydrophobicContact CE2-CB 4.45Å; Y1504-V1513 HydrophobicContact CE2-CG1 3.62Å; A1507-V1513 HydrophobicContact CB-CG2 3.86Å |
Retrieved 1,513 of 1,513 residues in 1394.2 ms
(Link to these results)