| 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 | 26.8 | Very low | 44.3 | Very low | 205 Ų | 205 | 108.2 Ų | 108.2 | 100% | 1.01 | 57% | 0.574 | S | S | * | * | 0 | 140.5 | 0 | -71.2 | 170.7 | 169.4 | 0 | 0 | 107.9 | I3 | M1-I3 PolarHBondContact O-N 3.21Š| |||
| 2 | E | 27 | Very low | 45.4 | Very low | 201 Ų | 201 | 107.6 Ų | 107.6 | 94% | 0.939 | 57% | 0.566 | S | S | * | * | trans | -79 | 114.1 | 169.9 | -66.8 | -175.3 | 136.4 | 0 | 0 | 109.3 | ||||
| 3 | I | 33.2 | Very low | 46.4 | Very low | 90 Ų | 90 | 105.8 Ų | 105.8 | 46% | 0.462 | 56% | 0.557 | S | S | . | * | trans | -87.3 | 122.8 | 178.5 | -63.8 | 158.2 | 0 | 0 | 0 | 108.2 | M1 V5 I9 | M1-I3 PolarHBondContact O-N 3.21Å; I3-V5 PolarHBondContact O-N 2.65Å; I3-V5 VanDerWaalsContact O-N 3.17Å; I3-I9 HydrophobicContact CD1-CD1 3.69Å; I3-I9 HydrophobicContact CG1-CD1 4.09Å; I3-I9 HydrophobicContact CG2-CD1 3.85Å; I3-I9 HydrophobicContact CG2-CG1 4.2Å | ||
| 4 | K | 33.1 | Very low | 47 | Very low | 175 Ų | 175 | 100.1 Ų | 100.1 | 76% | 0.761 | 53% | 0.532 | S | S | * | . | trans | -67.7 | 113 | 169.9 | -78.7 | -175.1 | 175.5 | -180 | 0 | 109.7 | G6 S7 | K4-G6 PolarHBondContact O-N 3.02Å; K4-S7 PolarHBondContact O-OG 3.03Å | ||
| 5 | V | 35.2 | Very low | 47.6 | Very low | 140 Ų | 140 | 104.3 Ų | 104.3 | 85% | 0.848 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 121.7 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | I3 | I3-V5 PolarHBondContact O-N 2.65Å; I3-V5 VanDerWaalsContact O-N 3.17Å |
| 6 | G | 47.4 | Very low | 48.4 | Very low | 64 Ų | 64 | 104.9 Ų | 104.9 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.2 | -18.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | K4 | K4-G6 PolarHBondContact O-N 3.02Š|
| 7 | S | 48.2 | Very low | 49.4 | Very low | 61 Ų | 61 | 100.5 Ų | 100.5 | 43% | 0.427 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -95.6 | 140.4 | 175.2 | 44.5 | 0 | 0 | 0 | 0 | 112.6 | K4 | K4-S7 PolarHBondContact O-OG 3.03Š|
| 8 | P | 53.8 | Low | 50.6 | Low | 76 Ų | 76 | 97.2 Ų | 97.2 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -61 | 137.1 | 171.6 | -21.3 | 33.1 | 0 | 0 | 0 | 111.8 | I33 | P8-I33 WeakPolarHBondContact CA-O 3.45Š|
| 9 | I | 60.3 | Low | 51.9 | Low | 27 Ų | 27 | 98.6 Ų | 98.6 | 14% | 0.138 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 135.6 | 176 | -51.1 | -176.9 | 0 | 0 | 0 | 108.1 | I3 D13 S32 I33 A38 | I3-I9 HydrophobicContact CD1-CD1 3.69Å; I3-I9 HydrophobicContact CG1-CD1 4.09Å; I3-I9 HydrophobicContact CG2-CD1 3.85Å; I3-I9 HydrophobicContact CG2-CG1 4.2Å; I9-D13 HydrophobicContact CG2-CB 3.9Å; I9-S32 CarbonylContact O-C 3.44Å; I9-S32 WeakPolarHBondContact O-CA 3.2Å; I9-S32 WeakPolarHBondContact O-CB 3.25Å; I9-I33 HydrophobicContact CB-CG1 3.98Å; I9-I33 PolarHBondContact N-O 3.14Å; I9-I33 PolarHBondContact O-N 3.19Å; I9-A38 HydrophobicContact CD1-CB 3.49Å; I9-A38 VanDerWaalsContact CD1-CB 3.49Å; I9-A38 HydrophobicContact CG1-CB 4.46Å |
| 10 | R | 59.6 | Low | 52.9 | Low | 146 Ų | 146 | 97.3 Ų | 97.3 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 149.4 | 177.4 | -53.8 | -175.6 | 176.7 | -173.8 | 1.2 | 110.1 | E12 D13 A14 | R10-E12 HydrophobicContact CB-CG 3.75Å; R10-E12 WeakPolarHBondContact CD-OE1 3.35Å; R10-E12 IonicContact CZ-OE1 3.64Å; R10-E12 IonicContact NE-OE1 3.79Å; R10-E12 IonicContact NH1-OE1 2.71Å; R10-E12 PolarHBondContact NH1-OE1 2.76Å; R10-E12 PolarHBondContact O-N 3.18Å; R10-D13 WeakPolarHBondContact CB-OD2 3.14Å; R10-D13 PolarHBondContact O-N 3.07Å; R10-D13 VanDerWaalsContact O-N 3.07Å; R10-A14 PolarHBondContact O-N 3.02Å |
| 11 | I | 62.7 | Low | 53.9 | Low | 5 Ų | 5 | 92.7 Ų | 92.7 | 3% | 0.026 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -64.6 | -28.6 | 177.3 | -71 | 177.3 | 0 | 0 | 0 | 111.7 | D13 A14 V17 Y22 Y25 I30 S31 I33 | I11-D13 VanDerWaalsContact C-N 3.26Å; I11-D13 PolarHBondContact O-N 2.83Å; I11-A14 WeakPolarHBondContact O-CB 3.18Å; I11-A14 PolarHBondContact O-N 3.24Å; I11-A14 VanDerWaalsContact O-N 3.14Å; I11-V17 HydrophobicContact CG2-CB 4.11Å; I11-V17 HydrophobicContact CG2-CG1 3.87Å; I11-V17 HydrophobicContact CG2-CG2 4.06Å; I11-Y22 HydrophobicContact CB-CD2 4.06Å; I11-Y22 HydrophobicContact CB-CE2 4.49Å; I11-Y22 HydrophobicContact CG2-CD2 3.87Å; I11-Y25 HydrophobicContact CD1-CD2 4.2Å; I11-Y25 HydrophobicContact CD1-CG 4.41Å; I11-I30 HydrophobicContact CD1-CG2 3.79Å; I11-S31 PolarHBondContact N-O 3.36Å; I11-S31 VanDerWaalsContact N-O 3.17Å; I11-I33 HydrophobicContact CG1-CG2 4.06Å |
| 12 | E | 57.9 | Low | 56.3 | Low | 101 Ų | 101 | 85 Ų | 85 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -66.9 | -21.5 | 173.6 | 65.2 | -150.4 | -152.7 | 0 | 0 | 114.1 | R10 Y22 | R10-E12 HydrophobicContact CB-CG 3.75Å; R10-E12 WeakPolarHBondContact CD-OE1 3.35Å; R10-E12 IonicContact CZ-OE1 3.64Å; R10-E12 IonicContact NE-OE1 3.79Å; R10-E12 IonicContact NH1-OE1 2.71Å; R10-E12 PolarHBondContact NH1-OE1 2.76Å; R10-E12 PolarHBondContact O-N 3.18Å; E12-Y22 HydrophobicContact CB-CE2 4.25Å; E12-Y22 PolarHBondContact OE2-OH 3.09Å |
| 13 | D | 58.6 | Low | 58.8 | Low | 85 Ų | 85 | 81.2 Ų | 81.2 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -91.2 | -6.6 | 173.6 | -57.9 | -53.9 | 0 | 0 | 0 | 112.5 | I9 R10 I11 | I9-D13 HydrophobicContact CG2-CB 3.9Å; R10-D13 WeakPolarHBondContact CB-OD2 3.14Å; R10-D13 PolarHBondContact O-N 3.07Å; R10-D13 VanDerWaalsContact O-N 3.07Å; I11-D13 VanDerWaalsContact C-N 3.26Å; I11-D13 PolarHBondContact O-N 2.83Å |
| 14 | A | 53.9 | Low | 60.9 | Low | 25 Ų | 25 | 77.5 Ų | 77.5 | 21% | 0.207 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -91 | 123.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | R10 I11 Y16 I33 | R10-A14 PolarHBondContact O-N 3.02Å; I11-A14 WeakPolarHBondContact O-CB 3.18Å; I11-A14 PolarHBondContact O-N 3.24Å; I11-A14 VanDerWaalsContact O-N 3.14Å; A14-Y16 PolarHBondContact O-N 3.48Å; A14-I33 HydrophobicContact CB-CD1 4.23Å |
| 15 | F | 55.9 | Low | 63.1 | Low | 164 Ų | 164 | 69.2 Ų | 69.2 | 72% | 0.719 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 135 | 177.2 | -61.3 | -89.7 | 0 | 0 | 0 | 111.5 | ||
| 16 | Y | 60.2 | Low | 65.2 | Low | 114 Ų | 114 | 68.2 Ų | 68.2 | 45% | 0.447 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 19.2 | 166.7 | -111.5 | -87.7 | 0 | 0 | 0 | 120.6 | A14 K73 E77 | A14-Y16 PolarHBondContact O-N 3.48Å; Y16-K73 HydrophobicContact CD1-CB 4.08Å; Y16-K73 HydrophobicContact CD1-CD 4.01Å; Y16-K73 HydrophobicContact CD1-CG 3.68Å; Y16-K73 HydrophobicContact CD2-CD 4.29Å; Y16-K73 VanDerWaalsContact CD2-NZ 3.31Å; Y16-K73 HydrophobicContact CE1-CG 4.03Å; Y16-K73 HydrophobicContact CG-CD 3.86Å; Y16-K73 HydrophobicContact CG-CG 4.08Å; Y16-E77 HydrophobicContact CE1-CG 3.83Å; Y16-E77 WeakPolarHBondContact OH-CG 3.48Å; Y16-E77 PolarHBondContact OH-OE1 3.37Å |
| 17 | V | 66.6 | Low | 66.6 | Low | 30 Ų | 30 | 71.9 Ų | 71.9 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | trans | -97.8 | 120.3 | 169.7 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | I11 L21 Y25 | I11-V17 HydrophobicContact CG2-CB 4.11Å; I11-V17 HydrophobicContact CG2-CG1 3.87Å; I11-V17 HydrophobicContact CG2-CG2 4.06Å; V17-L21 HydrophobicContact CG1-CB 4.25Å; V17-L21 HydrophobicContact CG1-CD2 4.31Å; V17-L21 HydrophobicContact CG1-CG 4.4Å; V17-Y25 HydrophobicContact CG1-CD2 4.48Å; V17-Y25 HydrophobicContact CG1-CE2 4.48Å | ||
| 18 | P | 71.3 | Confident | 67.8 | Low | 40 Ų | 40 | 71.3 Ų | 71.3 | 26% | 0.26 | 33% | 0.333 | S | S | . | . | trans | -64.2 | 145.6 | 172.7 | -21.4 | 33.2 | 0 | 0 | 0 | 112.5 | E20 L21 Y22 L72 L76 | P18-E20 VanDerWaalsContact C-N 3.29Å; P18-E20 PolarHBondContact O-N 3.22Å; P18-L21 WeakPolarHBondContact O-CA 3.43Å; P18-L21 WeakPolarHBondContact O-CB 3.47Å; P18-L21 PolarHBondContact O-N 3.13Å; P18-Y22 PolarHBondContact O-N 2.84Å; P18-L72 HydrophobicContact CG-CD2 4.14Å; P18-L76 HydrophobicContact CG-CD1 3.78Å | ||
| 19 | E | 74.2 | Confident | 68.8 | Low | 125 Ų | 125 | 74.9 Ų | 74.9 | 58% | 0.584 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.9 | -37.7 | -174.3 | -160.9 | -169.1 | 132.9 | 0 | 0 | 112.9 | L21 Y22 R23 | E19-L21 PolarHBondContact O-N 3.06Å; E19-Y22 WeakPolarHBondContact O-CB 3.26Å; E19-Y22 PolarHBondContact O-N 3.45Å; E19-Y22 VanDerWaalsContact O-N 3.13Å; E19-R23 WeakPolarHBondContact O-CG 3.44Å; E19-R23 PolarHBondContact O-N 3.2Å; E19-R23 IonicContact OE1-CZ 2.79Å; E19-R23 IonicContact OE1-NE 3.35Å; E19-R23 PolarHBondContact OE1-NE 3.41Å; E19-R23 IonicContact OE1-NH2 3.54Å; E19-R23 PolarHBondContact OE1-NH2 2.99Å |
| 20 | E | 72.4 | Confident | 69.6 | Low | 72 Ų | 72 | 75.9 Ų | 75.9 | 34% | 0.336 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.4 | -28.7 | 178.2 | -153.9 | 59.3 | -156.5 | 0 | 0 | 112.5 | P18 R23 Q24 N105 L106 | P18-E20 VanDerWaalsContact C-N 3.29Å; P18-E20 PolarHBondContact O-N 3.22Å; E20-R23 IonicContact OE1-NH1 2.88Å; E20-R23 WeakPolarHBondContact OE2-CD 3.44Å; E20-R23 IonicContact OE2-CZ 3.37Å; E20-R23 IonicContact OE2-NE 3.27Å; E20-R23 IonicContact OE2-NH1 2.74Å; E20-R23 PolarHBondContact OE2-NH1 3.26Å; E20-Q24 PolarHBondContact O-N 2.81Å; E20-N105 HydrophobicContact CG-CB 4.27Å; E20-L106 HydrophobicContact CB-CD2 4.21Å |
| 21 | L | 74.6 | Confident | 70.3 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -78.9 | -36.8 | 172.1 | -173.3 | 65.8 | 0 | 0 | 0 | 112 | V17 P18 E19 R23 Q24 Y25 L72 L102 F103 L106 | V17-L21 HydrophobicContact CG1-CB 4.25Å; V17-L21 HydrophobicContact CG1-CD2 4.31Å; V17-L21 HydrophobicContact CG1-CG 4.4Å; P18-L21 WeakPolarHBondContact O-CA 3.43Å; P18-L21 WeakPolarHBondContact O-CB 3.47Å; P18-L21 PolarHBondContact O-N 3.13Å; E19-L21 PolarHBondContact O-N 3.06Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.32Å; L21-Q24 PolarHBondContact O-N 3.38Å; L21-Y25 HydrophobicContact CD1-CE2 4.26Å; L21-Y25 HydrophobicContact CD2-CD2 4.48Å; L21-Y25 HydrophobicContact CD2-CE2 3.71Å; L21-Y25 HydrophobicContact CG-CD2 3.95Å; L21-Y25 HydrophobicContact CG-CE2 3.63Å; L21-Y25 PolarHBondContact O-N 3.31Å; L21-L72 HydrophobicContact CD2-CD1 4.25Å; L21-L72 HydrophobicContact CD2-CD2 3.32Å; L21-L72 HydrophobicContact CD2-CG 4.34Å; L21-L102 HydrophobicContact CD1-CD1 3.5Å; L21-L102 HydrophobicContact CD1-CD2 4.29Å; L21-L102 HydrophobicContact CD1-CG 3.57Å; L21-F103 HydrophobicContact CD1-CD1 4.3Å; L21-F103 HydrophobicContact CD1-CE1 4.34Å; L21-L106 HydrophobicContact CB-CD1 4.41Å |
| 22 | Y | 76.2 | Confident | 71.1 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 170.9 | 165 | -95.3 | 0 | 0 | 0 | 111.3 | I11 E12 P18 E19 Y25 K26 | I11-Y22 HydrophobicContact CB-CD2 4.06Å; I11-Y22 HydrophobicContact CB-CE2 4.49Å; I11-Y22 HydrophobicContact CG2-CD2 3.87Å; E12-Y22 HydrophobicContact CB-CE2 4.25Å; E12-Y22 PolarHBondContact OE2-OH 3.09Å; P18-Y22 PolarHBondContact O-N 2.84Å; E19-Y22 WeakPolarHBondContact O-CB 3.26Å; E19-Y22 PolarHBondContact O-N 3.45Å; E19-Y22 VanDerWaalsContact O-N 3.13Å; Y22-Y25 PolarHBondContact O-N 3.3Å; Y22-K26 HydrophobicContact CE1-CD 3.96Å; Y22-K26 VanDerWaalsContact O-CB 3.23Å; Y22-K26 WeakPolarHBondContact O-CB 3.31Å; Y22-K26 PolarHBondContact O-N 3.49Å; Y22-K26 PolarHBondContact OH-NZ 2.97Å |
| 23 | R | 78.7 | Confident | 72.2 | Confident | 120 Ų | 120 | 69.7 Ų | 69.7 | 45% | 0.453 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.1 | -48.6 | 172.4 | -67.7 | 170.8 | -170.5 | 179.1 | -3 | 111.4 | E19 E20 L21 K26 E27 | E19-R23 WeakPolarHBondContact O-CG 3.44Å; E19-R23 PolarHBondContact O-N 3.2Å; E19-R23 IonicContact OE1-CZ 2.79Å; E19-R23 IonicContact OE1-NE 3.35Å; E19-R23 PolarHBondContact OE1-NE 3.41Å; E19-R23 IonicContact OE1-NH2 3.54Å; E19-R23 PolarHBondContact OE1-NH2 2.99Å; E20-R23 IonicContact OE1-NH1 2.88Å; E20-R23 WeakPolarHBondContact OE2-CD 3.44Å; E20-R23 IonicContact OE2-CZ 3.37Å; E20-R23 IonicContact OE2-NE 3.27Å; E20-R23 IonicContact OE2-NH1 2.74Å; E20-R23 PolarHBondContact OE2-NH1 3.26Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.32Å; R23-K26 WeakPolarHBondContact O-CB 3.44Å; R23-K26 PolarHBondContact O-N 2.78Å; R23-E27 PolarHBondContact O-N 3.19Å |
| 24 | Q | 77.6 | Confident | 73.5 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 175.9 | -74.1 | -128.5 | 27.5 | 0 | 0 | 113.5 | E20 L21 K26 E27 M28 K101 L102 | E20-Q24 PolarHBondContact O-N 2.81Å; L21-Q24 PolarHBondContact O-N 3.38Å; Q24-K26 VanDerWaalsContact C-N 3.27Å; Q24-K26 PolarHBondContact O-N 2.79Å; Q24-E27 PolarHBondContact O-N 3.07Å; Q24-M28 WeakPolarHBondContact O-CG 3.25Å; Q24-M28 PolarHBondContact O-N 3.44Å; Q24-K101 PolarHBondContact NE2-O 3.32Å; Q24-K101 PolarHBondContact OE1-O 3.08Å; Q24-K101 VanDerWaalsContact OE1-O 3.14Å; Q24-L102 HydrophobicContact CB-CD1 4.05Å |
| 25 | Y | 80.8 | Confident | 74.8 | Confident | 1 Ų | 1 | 68 Ų | 68 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 175.5 | -76.8 | -42.4 | 0 | 0 | 0 | 111.8 | I11 V17 L21 Y22 M28 N29 I30 L65 L102 | I11-Y25 HydrophobicContact CD1-CD2 4.2Å; I11-Y25 HydrophobicContact CD1-CG 4.41Å; V17-Y25 HydrophobicContact CG1-CD2 4.48Å; V17-Y25 HydrophobicContact CG1-CE2 4.48Å; L21-Y25 HydrophobicContact CD1-CE2 4.26Å; L21-Y25 HydrophobicContact CD2-CD2 4.48Å; L21-Y25 HydrophobicContact CD2-CE2 3.71Å; L21-Y25 HydrophobicContact CG-CD2 3.95Å; L21-Y25 HydrophobicContact CG-CE2 3.63Å; L21-Y25 PolarHBondContact O-N 3.31Å; Y22-Y25 PolarHBondContact O-N 3.3Å; Y25-M28 CarbonylContact O-C 3.38Å; Y25-M28 WeakPolarHBondContact O-CA 3.43Å; Y25-M28 WeakPolarHBondContact O-CB 3.4Å; Y25-M28 PolarHBondContact O-N 3.32Å; Y25-M28 VanDerWaalsContact O-N 3.09Å; Y25-N29 PolarHBondContact O-N 2.96Å; Y25-I30 CarbonylContact C-O 3.43Å; Y25-I30 HydrophobicContact CD1-CD1 4.17Å; Y25-I30 WeakPolarHBondContact O-CA 3.23Å; Y25-I30 PolarHBondContact O-N 3.5Å; Y25-L65 HydrophobicContact CD1-CD1 4.49Å; Y25-L65 HydrophobicContact CE1-CD1 3.74Å; Y25-L65 HydrophobicContact CE2-CD1 4.43Å; Y25-L102 HydrophobicContact CD1-CD1 4.02Å; Y25-L102 HydrophobicContact CE1-CD1 3.84Å; Y25-L102 HydrophobicContact CE1-CD2 3.96Å |
| 26 | K | 77.9 | Confident | 76.4 | Confident | 118 Ų | 118 | 60.3 Ų | 60.3 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 176.3 | -166.2 | 170.3 | -170.7 | 162.4 | 0 | 112.5 | Y22 R23 Q24 M28 N29 | Y22-K26 HydrophobicContact CE1-CD 3.96Å; Y22-K26 VanDerWaalsContact O-CB 3.23Å; Y22-K26 WeakPolarHBondContact O-CB 3.31Å; Y22-K26 PolarHBondContact O-N 3.49Å; Y22-K26 PolarHBondContact OH-NZ 2.97Å; R23-K26 WeakPolarHBondContact O-CB 3.44Å; R23-K26 PolarHBondContact O-N 2.78Å; Q24-K26 VanDerWaalsContact C-N 3.27Å; Q24-K26 PolarHBondContact O-N 2.79Å; K26-M28 PolarHBondContact O-N 3.38Å; K26-N29 PolarHBondContact O-N 3.02Å |
| 27 | E | 77.9 | Confident | 77.7 | Confident | 142 Ų | 142 | 55.1 Ų | 55.1 | 66% | 0.664 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.8 | -32.4 | 169.2 | -71.5 | -170.5 | 174.5 | 0 | 0 | 112.7 | R23 Q24 N29 | R23-E27 PolarHBondContact O-N 3.19Å; Q24-E27 PolarHBondContact O-N 3.07Å; E27-N29 PolarHBondContact O-N 2.89Å |
| 28 | M | 72.3 | Confident | 78.5 | Confident | 49 Ų | 49 | 54 Ų | 54 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 9.7 | 173.9 | -60.9 | -173.1 | -162.5 | 0 | 0 | 113.5 | Q24 Y25 K26 I30 Y98 K101 L102 | Q24-M28 WeakPolarHBondContact O-CG 3.25Å; Q24-M28 PolarHBondContact O-N 3.44Å; Y25-M28 CarbonylContact O-C 3.38Å; Y25-M28 WeakPolarHBondContact O-CA 3.43Å; Y25-M28 WeakPolarHBondContact O-CB 3.4Å; Y25-M28 PolarHBondContact O-N 3.32Å; Y25-M28 VanDerWaalsContact O-N 3.09Å; K26-M28 PolarHBondContact O-N 3.38Å; M28-I30 VanDerWaalsContact C-N 3.27Å; M28-I30 HydrophobicContact CB-CD1 4.46Å; M28-I30 HydrophobicContact CB-CG1 4.32Å; M28-I30 PolarHBondContact O-N 2.83Å; M28-Y98 HydrophobicContact CE-CE2 4.35Å; M28-Y98 HydrophobicContact SD-CD2 4.5Å; M28-Y98 HydrophobicContact SD-CE2 3.63Å; M28-K101 HydrophobicContact CE-CD 4.33Å; M28-L102 HydrophobicContact CE-CB 4.46Å; M28-L102 HydrophobicContact CE-CD1 3.8Å; M28-L102 HydrophobicContact SD-CD1 4.35Å |
| 29 | N | 76.1 | Confident | 79.3 | Confident | 151 Ų | 151 | 56.2 Ų | 56.2 | 81% | 0.807 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 25.2 | -175.7 | -59 | -78.9 | 0 | 0 | 0 | 115 | Y25 K26 E27 | Y25-N29 PolarHBondContact O-N 2.96Å; K26-N29 PolarHBondContact O-N 3.02Å; E27-N29 PolarHBondContact O-N 2.89Å |
| 30 | I | 76.1 | Confident | 80 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | trans | -101.5 | 96.9 | 174.7 | -47.7 | 179.9 | 0 | 0 | 0 | 108.6 | I11 Y25 M28 L65 | I11-I30 HydrophobicContact CD1-CG2 3.79Å; Y25-I30 CarbonylContact C-O 3.43Å; Y25-I30 HydrophobicContact CD1-CD1 4.17Å; Y25-I30 WeakPolarHBondContact O-CA 3.23Å; Y25-I30 PolarHBondContact O-N 3.5Å; M28-I30 VanDerWaalsContact C-N 3.27Å; M28-I30 HydrophobicContact CB-CD1 4.46Å; M28-I30 HydrophobicContact CB-CG1 4.32Å; M28-I30 PolarHBondContact O-N 2.83Å; I30-L65 HydrophobicContact CG2-CD2 4.23Å | ||
| 31 | S | 75.4 | Confident | 80.7 | Confident | 72 Ų | 72 | 47.4 Ų | 47.4 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | trans | -99.9 | -19.4 | 179.1 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | I11 | I11-S31 PolarHBondContact N-O 3.36Å; I11-S31 VanDerWaalsContact N-O 3.17Å | ||
| 32 | S | 78.5 | Confident | 81.2 | Confident | 44 Ų | 44 | 52 Ų | 52 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 150.8 | -171.8 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | I9 | I9-S32 CarbonylContact O-C 3.44Å; I9-S32 WeakPolarHBondContact O-CA 3.2Å; I9-S32 WeakPolarHBondContact O-CB 3.25Å |
| 33 | I | 81.3 | Confident | 81.8 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 148.8 | 173.5 | 61.5 | 177.8 | 0 | 0 | 0 | 110.8 | P8 I9 I11 A14 Q37 A38 L65 | P8-I33 WeakPolarHBondContact CA-O 3.45Å; I9-I33 HydrophobicContact CB-CG1 3.98Å; I9-I33 PolarHBondContact N-O 3.14Å; I9-I33 PolarHBondContact O-N 3.19Å; I11-I33 HydrophobicContact CG1-CG2 4.06Å; A14-I33 HydrophobicContact CB-CD1 4.23Å; I33-Q37 HydrophobicContact CB-CB 4.39Å; I33-A38 HydrophobicContact CD1-CB 3.78Å; I33-A38 HydrophobicContact CG1-CB 4.4Å; I33-L65 HydrophobicContact CG2-CD2 3.95Å |
| 34 | F | 84.8 | Confident | 82.1 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | trans | -69.7 | 152.1 | 172.5 | -58.4 | -57.8 | 0 | 0 | 0 | 110.8 | W36 Q37 A38 A61 F248 P250 | F34-W36 VanDerWaalsContact C-N 3.26Å; F34-W36 AromaticContact CD2-NE1 3.88Å; F34-W36 PolarHBondContact O-N 2.77Å; F34-Q37 HydrophobicContact CB-CG 4.24Å; F34-Q37 HydrophobicContact CD2-CG 4.45Å; F34-Q37 WeakPolarHBondContact O-CB 3.35Å; F34-Q37 PolarHBondContact O-N 3.34Å; F34-A38 PolarHBondContact O-N 2.72Å; F34-A61 WeakPolarHBondContact CD2-O 3.17Å; F34-F248 HydrophobicContact CB-CE1 4.16Å; F34-F248 HydrophobicContact CB-CZ 4.46Å; F34-F248 AromaticContact CD1-CE1 3.68Å; F34-F248 HydrophobicContact CD1-CE1 3.68Å; F34-F248 AromaticContact CD1-CZ 3.64Å; F34-F248 HydrophobicContact CD1-CZ 3.64Å; F34-F248 AromaticContact CD2-CE1 3.82Å; F34-F248 HydrophobicContact CD2-CE1 3.82Å; F34-F248 AromaticContact CE1-CE1 3.95Å; F34-F248 HydrophobicContact CE1-CE1 3.95Å; F34-F248 AromaticContact CE1-CZ 3.96Å; F34-F248 HydrophobicContact CE1-CZ 3.96Å; F34-F248 HydrophobicContact CE2-CE1 4.08Å; F34-F248 HydrophobicContact CG-CD1 4.49Å; F34-F248 AromaticContact CG-CE1 3.62Å; F34-F248 HydrophobicContact CG-CE1 3.62Å; F34-F248 HydrophobicContact CG-CZ 4.01Å; F34-F248 HydrophobicContact CZ-CE1 4.14Å; F34-P250 HydrophobicContact CE1-CB 4.25Å; F34-P250 HydrophobicContact CZ-CB 3.82Å; F34-P250 HydrophobicContact CZ-CG 4.18Å | ||
| 35 | S | 81.8 | Confident | 82.3 | Confident | 31 Ų | 31 | 51 Ų | 51 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.9 | -43.8 | -179.8 | 76.6 | 0 | 0 | 0 | 0 | 111.7 | Q37 A38 E39 | S35-Q37 PolarHBondContact O-N 2.91Å; S35-A38 WeakPolarHBondContact O-CB 3.09Å; S35-A38 PolarHBondContact O-N 3.31Å; S35-E39 VanDerWaalsContact CB-OE1 3.27Å; S35-E39 WeakPolarHBondContact CB-OE1 3.14Å; S35-E39 VanDerWaalsContact O-CG 3.26Å; S35-E39 WeakPolarHBondContact O-CG 3.26Å; S35-E39 PolarHBondContact O-N 2.95Å; S35-E39 PolarHBondContact OG-OE1 3.36Å |
| 36 | W | 88.8 | Confident | 82.6 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.011 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.8 | -34.7 | 179.4 | 88.3 | -101 | 0 | 0 | 0 | 113 | F34 E39 C40 Y55 A57 A61 K63 V66 Y244 T246 F248 | F34-W36 VanDerWaalsContact C-N 3.26Å; F34-W36 AromaticContact CD2-NE1 3.88Å; F34-W36 PolarHBondContact O-N 2.77Å; W36-E39 PolarHBondContact N-OE1 2.99Å; W36-C40 HydrophobicContact CE3-CB 4.33Å; W36-C40 HydrophobicContact CZ3-CB 4.38Å; W36-C40 WeakPolarHBondContact O-CB 3.28Å; W36-C40 PolarHBondContact O-N 3.42Å; W36-Y55 HydrophobicContact CH2-CD2 4Å; W36-Y55 HydrophobicContact CH2-CE2 4.01Å; W36-Y55 AromaticContact CZ3-CD2 3.87Å; W36-Y55 HydrophobicContact CZ3-CD2 3.87Å; W36-Y55 HydrophobicContact CZ3-CE2 4.26Å; W36-A57 HydrophobicContact CH2-CB 3.92Å; W36-A57 HydrophobicContact CZ2-CB 4Å; W36-A57 HydrophobicContact CZ3-CB 4.32Å; W36-A61 HydrophobicContact CZ2-CB 4.06Å; W36-A61 WeakPolarHBondContact CZ2-O 3.42Å; W36-A61 PolarHBondContact NE1-O 3.43Å; W36-K63 HydrophobicContact CH2-CG 4.37Å; W36-V66 HydrophobicContact CH2-CG2 4.17Å; W36-V66 HydrophobicContact CZ3-CG2 4.29Å; W36-Y244 WeakPolarHBondContact CA-OH 3.22Å; W36-Y244 HydrophobicContact CB-CE1 4.15Å; W36-Y244 WeakPolarHBondContact CB-OH 3.42Å; W36-Y244 HydrophobicContact CD2-CE1 4.45Å; W36-Y244 HydrophobicContact CE3-CD1 4.05Å; W36-Y244 AromaticContact CE3-CE1 3.63Å; W36-Y244 HydrophobicContact CE3-CE1 3.63Å; W36-Y244 HydrophobicContact CZ3-CD1 4.43Å; W36-Y244 HydrophobicContact CZ3-CE1 4.43Å; W36-T246 HydrophobicContact CB-CG2 4.27Å; W36-T246 HydrophobicContact CD2-CG2 3.73Å; W36-T246 HydrophobicContact CE3-CG2 3.8Å; W36-T246 HydrophobicContact CG-CG2 3.97Å; W36-T246 HydrophobicContact CZ3-CG2 4.42Å; W36-F248 AromaticContact CD1-CD1 3.37Å; W36-F248 AromaticContact CD1-CG 3.77Å; W36-F248 HydrophobicContact CG-CB 4.47Å; W36-F248 AromaticContact NE1-CD1 3.61Å |
| 37 | Q | 88.3 | Confident | 82.9 | Confident | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.023 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.4 | -41.9 | 177.1 | -64.4 | 172.2 | -49.4 | 0 | 0 | 110.4 | I33 F34 S35 C40 L41 G62 V66 | I33-Q37 HydrophobicContact CB-CB 4.39Å; F34-Q37 HydrophobicContact CB-CG 4.24Å; F34-Q37 HydrophobicContact CD2-CG 4.45Å; F34-Q37 WeakPolarHBondContact O-CB 3.35Å; F34-Q37 PolarHBondContact O-N 3.34Å; S35-Q37 PolarHBondContact O-N 2.91Å; Q37-C40 PolarHBondContact O-N 3.32Å; Q37-L41 WeakPolarHBondContact O-CB 3.28Å; Q37-L41 VanDerWaalsContact O-CG 3.29Å; Q37-L41 WeakPolarHBondContact O-CG 3.08Å; Q37-L41 PolarHBondContact O-N 2.7Å; Q37-G62 PolarHBondContact NE2-O 3.12Å; Q37-V66 HydrophobicContact CB-CG2 3.85Å; Q37-V66 HydrophobicContact CG-CG2 3.84Å |
| 38 | A | 83.9 | Confident | 82.9 | Confident | 6 Ų | 6 | 44 Ų | 44 | 5% | 0.05 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I9 I33 F34 S35 C40 L41 N42 | I9-A38 HydrophobicContact CD1-CB 3.49Å; I9-A38 VanDerWaalsContact CD1-CB 3.49Å; I9-A38 HydrophobicContact CG1-CB 4.46Å; I33-A38 HydrophobicContact CD1-CB 3.78Å; I33-A38 HydrophobicContact CG1-CB 4.4Å; F34-A38 PolarHBondContact O-N 2.72Å; S35-A38 WeakPolarHBondContact O-CB 3.09Å; S35-A38 PolarHBondContact O-N 3.31Å; A38-C40 VanDerWaalsContact C-N 3.34Å; A38-L41 PolarHBondContact O-N 2.85Å; A38-N42 WeakPolarHBondContact O-CB 3.49Å; A38-N42 PolarHBondContact O-N 2.99Å; A38-N42 PolarHBondContact O-ND2 3.48Å |
| 39 | E | 87.2 | Confident | 83.2 | Confident | 87 Ų | 87 | 41.9 Ų | 41.9 | 41% | 0.407 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59 | -45.7 | 173.2 | -67.4 | 157.5 | -136.6 | 0 | 0 | 110.9 | S35 W36 N42 Y244 | S35-E39 VanDerWaalsContact CB-OE1 3.27Å; S35-E39 WeakPolarHBondContact CB-OE1 3.14Å; S35-E39 VanDerWaalsContact O-CG 3.26Å; S35-E39 WeakPolarHBondContact O-CG 3.26Å; S35-E39 PolarHBondContact O-N 2.95Å; S35-E39 PolarHBondContact OG-OE1 3.36Å; W36-E39 PolarHBondContact N-OE1 2.99Å; E39-N42 PolarHBondContact O-N 3.24Å; E39-Y244 HydrophobicContact CB-CE2 3.82Å; E39-Y244 PolarHBondContact OE2-OH 3.04Å |
| 40 | C | 89.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -32.3 | 179.2 | -171.1 | 0 | 0 | 0 | 0 | 113.7 | W36 Q37 A38 Y244 | W36-C40 HydrophobicContact CE3-CB 4.33Å; W36-C40 HydrophobicContact CZ3-CB 4.38Å; W36-C40 WeakPolarHBondContact O-CB 3.28Å; W36-C40 PolarHBondContact O-N 3.42Å; Q37-C40 PolarHBondContact O-N 3.32Å; A38-C40 VanDerWaalsContact C-N 3.34Å; C40-Y244 HydrophobicContact CB-CD1 4.02Å; C40-Y244 HydrophobicContact CB-CD2 4.17Å; C40-Y244 HydrophobicContact CB-CE1 4.37Å; C40-Y244 HydrophobicContact CB-CG 3.93Å |
| 41 | L | 86.3 | Confident | 83.9 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.5 | -36.1 | 175.2 | -73.5 | 167.5 | 0 | 0 | 0 | 112.3 | Q37 A38 L43 L47 V66 I69 I70 | Q37-L41 WeakPolarHBondContact O-CB 3.28Å; Q37-L41 VanDerWaalsContact O-CG 3.29Å; Q37-L41 WeakPolarHBondContact O-CG 3.08Å; Q37-L41 PolarHBondContact O-N 2.7Å; A38-L41 PolarHBondContact O-N 2.85Å; L41-L43 PolarHBondContact O-N 2.96Å; L41-L47 HydrophobicContact CB-CD1 4.29Å; L41-L47 HydrophobicContact CB-CG 4.48Å; L41-L47 HydrophobicContact CD2-CD2 4.25Å; L41-L47 WeakPolarHBondContact O-CD1 3.43Å; L41-L47 WeakPolarHBondContact O-CG 3.24Å; L41-V66 HydrophobicContact CD2-CG1 3.88Å; L41-V66 HydrophobicContact CG-CG1 4.18Å; L41-I69 HydrophobicContact CD1-CD1 4.04Å; L41-I69 HydrophobicContact CD1-CG2 4.43Å; L41-I69 HydrophobicContact CD2-CG2 4.31Å; L41-I70 HydrophobicContact CD2-CD1 4.02Å; L41-I70 HydrophobicContact CD2-CG1 3.72Å |
| 42 | N | 85.8 | Confident | 84.8 | Confident | 97 Ų | 97 | 37.9 Ų | 37.9 | 52% | 0.519 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 11.7 | 180 | -72.2 | -54.8 | 0 | 0 | 0 | 114.1 | A38 E39 | A38-N42 WeakPolarHBondContact O-CB 3.49Å; A38-N42 PolarHBondContact O-N 2.99Å; A38-N42 PolarHBondContact O-ND2 3.48Å; E39-N42 PolarHBondContact O-N 3.24Å |
| 43 | L | 88 | Confident | 85.6 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 22% | 0.22 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -68.2 | 146.4 | 174.8 | -74 | 174.5 | 0 | 0 | 0 | 111.6 | L41 G45 V46 L53 E242 Y244 | L41-L43 PolarHBondContact O-N 2.96Å; L43-G45 PolarHBondContact O-N 3.06Å; L43-V46 HydrophobicContact CB-CB 4.24Å; L43-V46 HydrophobicContact CB-CG2 3.68Å; L43-V46 WeakPolarHBondContact O-CB 3.47Å; L43-V46 PolarHBondContact O-N 3.44Å; L43-V46 VanDerWaalsContact O-N 3.16Å; L43-L53 HydrophobicContact CD1-CD1 3.87Å; L43-E242 HydrophobicContact CD1-CB 4.27Å; L43-Y244 HydrophobicContact CD1-CD2 4.31Å |
| 44 | P | 84.9 | Confident | 86.3 | Confident | 95 Ų | 95 | 35.6 Ų | 35.6 | 62% | 0.617 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 123.6 | -170 | -25.8 | 35.4 | 0 | 0 | 0 | 113.4 | V46 | P44-V46 PolarHBondContact O-N 3.48Å; P44-V46 VanDerWaalsContact O-N 3.14Å |
| 45 | G | 82.7 | Confident | 86.7 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 21% | 0.206 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 4.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L43 G49 C50 K51 | L43-G45 PolarHBondContact O-N 3.06Å; G45-G49 PolarHBondContact O-N 2.87Å; G45-G49 VanDerWaalsContact O-N 3.15Å; G45-C50 PolarHBondContact O-N 2.89Å; G45-K51 PolarHBondContact O-N 3.44Å |
| 46 | V | 86.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -49.4 | -179.7 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | L43 P44 G49 K51 L53 I70 Q221 E242 | L43-V46 HydrophobicContact CB-CB 4.24Å; L43-V46 HydrophobicContact CB-CG2 3.68Å; L43-V46 WeakPolarHBondContact O-CB 3.47Å; L43-V46 PolarHBondContact O-N 3.44Å; L43-V46 VanDerWaalsContact O-N 3.16Å; P44-V46 PolarHBondContact O-N 3.48Å; P44-V46 VanDerWaalsContact O-N 3.14Å; V46-G49 PolarHBondContact O-N 3.46Å; V46-G49 VanDerWaalsContact O-N 3.17Å; V46-K51 HydrophobicContact CG2-CB 4.48Å; V46-L53 HydrophobicContact CG1-CB 4.12Å; V46-L53 HydrophobicContact CG1-CD1 4.29Å; V46-L53 HydrophobicContact CG1-CD2 3.93Å; V46-L53 HydrophobicContact CG1-CG 4.33Å; V46-L53 HydrophobicContact CG2-CB 4.42Å; V46-L53 HydrophobicContact CG2-CD1 4.19Å; V46-I70 HydrophobicContact CG1-CD1 4.06Å; V46-Q221 PolarHBondContact O-NE2 3.33Å; V46-E242 HydrophobicContact CG2-CB 4.19Å; V46-E242 HydrophobicContact CG2-CG 4.24Å |
| 47 | L | 83.9 | Confident | 87 | Confident | 34 Ų | 34 | 32 Ų | 32 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -38.6 | 176.6 | -90.3 | 169.4 | 0 | 0 | 0 | 112.3 | L41 G49 K73 | L41-L47 HydrophobicContact CB-CD1 4.29Å; L41-L47 HydrophobicContact CB-CG 4.48Å; L41-L47 HydrophobicContact CD2-CD2 4.25Å; L41-L47 WeakPolarHBondContact O-CD1 3.43Å; L41-L47 WeakPolarHBondContact O-CG 3.24Å; L47-G49 PolarHBondContact O-N 3.3Å; L47-K73 HydrophobicContact CB-CD 4.43Å; L47-K73 HydrophobicContact CD2-CD 3.8Å; L47-K73 VanDerWaalsContact O-CD 3.3Å; L47-K73 WeakPolarHBondContact O-CD 3.41Å; L47-K73 WeakPolarHBondContact O-CE 3.19Å |
| 48 | D | 78.8 | Confident | 86.6 | Confident | 78 Ų | 78 | 33 Ų | 33 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -10.9 | 174.7 | -53.7 | -63 | 0 | 0 | 0 | 113 | C50 R74 Y218 | D48-C50 VanDerWaalsContact C-N 3.26Å; D48-C50 PolarHBondContact O-N 2.89Å; D48-R74 PolarHBondContact O-NH1 2.87Å; D48-Y218 VanDerWaalsContact O-CE1 3.3Å; D48-Y218 WeakPolarHBondContact O-CE1 3.42Å |
| 49 | G | 78.5 | Confident | 86.1 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 39.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G45 V46 L47 R74 | G45-G49 PolarHBondContact O-N 2.87Å; G45-G49 VanDerWaalsContact O-N 3.15Å; V46-G49 PolarHBondContact O-N 3.46Å; V46-G49 VanDerWaalsContact O-N 3.17Å; L47-G49 PolarHBondContact O-N 3.3Å; G49-R74 VanDerWaalsContact CA-NH1 3.34Å; G49-R74 PolarHBondContact O-NH1 2.86Å; G49-R74 PolarHBondContact O-NH2 2.98Å |
| 50 | C | 81 | Confident | 85.5 | Confident | 102 Ų | 102 | 33.4 Ų | 33.4 | 69% | 0.689 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -90.4 | -18.7 | 166 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | G45 D48 | G45-C50 PolarHBondContact O-N 2.89Å; D48-C50 VanDerWaalsContact C-N 3.26Å; D48-C50 PolarHBondContact O-N 2.89Å |
| 51 | K | 86.3 | Confident | 85 | Confident | 61 Ų | 61 | 33.4 Ų | 33.4 | 27% | 0.265 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -125.3 | 147.7 | 175.9 | -96.4 | -75.7 | -173 | 163.8 | 0 | 111.4 | G45 V46 Q221 D240 E242 | G45-K51 PolarHBondContact O-N 3.44Å; V46-K51 HydrophobicContact CG2-CB 4.48Å; K51-Q221 PolarHBondContact O-NE2 3Å; K51-D240 IonicContact NZ-OD1 3.28Å; K51-D240 PolarHBondContact NZ-OD1 2.88Å; K51-E242 HydrophobicContact CB-CG 4.33Å; K51-E242 HydrophobicContact CD-CG 4.22Å; K51-E242 VanDerWaalsContact CE-OE1 3.24Å; K51-E242 WeakPolarHBondContact CE-OE1 3.48Å; K51-E242 HydrophobicContact CG-CG 4.28Å; K51-E242 IonicContact NZ-OE1 2.66Å; K51-E242 PolarHBondContact NZ-OE1 2.93Å; K51-E242 VanDerWaalsContact NZ-OE1 3.15Å |
| 52 | N | 94 | Very high | 84.6 | Confident | 23 Ų | 23 | 34 Ų | 34 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 163.2 | 168.4 | -66.2 | -24.8 | 0 | 0 | 0 | 110.2 | Q221 I222 L239 A241 E242 | N52-Q221 WeakPolarHBondContact OD1-CA 3.49Å; N52-I222 WeakPolarHBondContact CA-O 3.07Å; N52-I222 HydrophobicContact CB-CB 4.32Å; N52-I222 VanDerWaalsContact CB-O 3.32Å; N52-I222 WeakPolarHBondContact CB-O 3.5Å; N52-I222 PolarHBondContact OD1-N 2.87Å; N52-L239 PolarHBondContact ND2-O 3.07Å; N52-A241 HydrophobicContact CB-CB 3.6Å; N52-A241 CarbonylContact O-C 3.58Å; N52-A241 VanDerWaalsContact O-CA 3.28Å; N52-A241 WeakPolarHBondContact O-CA 2.72Å; N52-E242 PolarHBondContact O-N 2.9Å |
| 53 | L | 95.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 132.8 | -179.5 | 178.2 | 70.5 | 0 | 0 | 0 | 111.1 | L43 V46 Y55 V66 I70 I222 V223 G224 | L43-L53 HydrophobicContact CD1-CD1 3.87Å; V46-L53 HydrophobicContact CG1-CB 4.12Å; V46-L53 HydrophobicContact CG1-CD1 4.29Å; V46-L53 HydrophobicContact CG1-CD2 3.93Å; V46-L53 HydrophobicContact CG1-CG 4.33Å; V46-L53 HydrophobicContact CG2-CB 4.42Å; V46-L53 HydrophobicContact CG2-CD1 4.19Å; L53-Y55 HydrophobicContact CD2-CD1 3.65Å; L53-Y55 HydrophobicContact CD2-CE1 3.97Å; L53-Y55 HydrophobicContact CD2-CG 4.48Å; L53-Y55 HydrophobicContact CG-CD1 3.9Å; L53-V66 HydrophobicContact CD2-CG1 4.25Å; L53-I70 HydrophobicContact CD2-CD1 3.82Å; L53-I222 PolarHBondContact N-O 3.29Å; L53-V223 HydrophobicContact CB-CG1 4.5Å; L53-V223 HydrophobicContact CB-CG2 4.42Å; L53-V223 HydrophobicContact CD2-CG1 4.28Å; L53-V223 CarbonylContact O-C 3.55Å; L53-V223 WeakPolarHBondContact O-CA 2.9Å; L53-G224 PolarHBondContact O-N 3.3Å |
| 54 | V | 94.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 115.3 | 169.7 | 171.5 | 0 | 0 | 0 | 0 | 109.1 | L160 G224 L232 L239 A241 E242 V243 Y244 | V54-L160 HydrophobicContact CG1-CD2 3.98Å; V54-L160 HydrophobicContact CG2-CD2 4.22Å; V54-G224 CarbonylContact C-O 3.56Å; V54-G224 WeakPolarHBondContact CA-O 3.27Å; V54-L232 HydrophobicContact CG1-CD1 3.61Å; V54-L232 HydrophobicContact CG1-CD2 4.25Å; V54-L232 HydrophobicContact CG1-CG 3.76Å; V54-L239 HydrophobicContact CG2-CB 4.49Å; V54-L239 HydrophobicContact CG2-CD1 3.63Å; V54-A241 HydrophobicContact CB-CB 4.22Å; V54-A241 HydrophobicContact CG2-CB 3.63Å; V54-E242 PolarHBondContact N-O 2.93Å; V54-V243 WeakPolarHBondContact O-CA 3.25Å; V54-Y244 PolarHBondContact O-N 2.87Å; V54-Y244 VanDerWaalsContact O-N 3.08Å |
| 55 | Y | 94.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.9 | -176.7 | 68.6 | -77.2 | 0 | 0 | 0 | 114.5 | W36 L53 K63 V66 A67 V223 G224 M225 S226 Y244 | W36-Y55 HydrophobicContact CH2-CD2 4Å; W36-Y55 HydrophobicContact CH2-CE2 4.01Å; W36-Y55 AromaticContact CZ3-CD2 3.87Å; W36-Y55 HydrophobicContact CZ3-CD2 3.87Å; W36-Y55 HydrophobicContact CZ3-CE2 4.26Å; L53-Y55 HydrophobicContact CD2-CD1 3.65Å; L53-Y55 HydrophobicContact CD2-CE1 3.97Å; L53-Y55 HydrophobicContact CD2-CG 4.48Å; L53-Y55 HydrophobicContact CG-CD1 3.9Å; Y55-K63 HydrophobicContact CE2-CB 4Å; Y55-K63 HydrophobicContact CE2-CD 4.45Å; Y55-K63 HydrophobicContact CE2-CG 4.3Å; Y55-K63 WeakPolarHBondContact CE2-O 3.44Å; Y55-K63 PolarHBondContact OH-O 3.09Å; Y55-V66 HydrophobicContact CE1-CG1 4.24Å; Y55-V66 HydrophobicContact CE2-CB 4.08Å; Y55-V66 HydrophobicContact CE2-CG1 4.33Å; Y55-V66 HydrophobicContact CE2-CG2 4.41Å; Y55-A67 PolarHBondContact OH-N 3.28Å; Y55-V223 HydrophobicContact CE1-CG1 3.88Å; Y55-G224 PolarHBondContact N-O 3.06Å; Y55-M225 HydrophobicContact CD1-CB 4.14Å; Y55-M225 HydrophobicContact CD2-CB 4.35Å; Y55-M225 HydrophobicContact CE1-CB 3.65Å; Y55-M225 HydrophobicContact CE2-CB 3.87Å; Y55-M225 HydrophobicContact CG-CB 4.48Å; Y55-M225 CarbonylContact O-C 3.56Å; Y55-M225 WeakPolarHBondContact O-CA 3.44Å; Y55-M225 PolarHBondContact OH-SD 2.81Å; Y55-M225 VanDerWaalsContact OH-SD 3.4Å; Y55-S226 PolarHBondContact O-N 2.97Å; Y55-Y244 CarbonylContact C-O 3.58Å; Y55-Y244 VanDerWaalsContact CA-O 3.29Å; Y55-Y244 WeakPolarHBondContact CA-O 3.5Å |
| 56 | S | 90.2 | Very high | 85 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.3 | -177.8 | 161.9 | 0 | 0 | 0 | 0 | 111.2 | A227 T228 L232 Y244 T246 | S56-A227 PolarHBondContact OG-O 2.83Å; S56-T228 VanDerWaalsContact OG-CA 3.31Å; S56-T228 WeakPolarHBondContact OG-CA 3.42Å; S56-T228 PolarHBondContact OG-N 2.9Å; S56-L232 VanDerWaalsContact CB-CD2 3.44Å; S56-Y244 PolarHBondContact N-O 3.12Å; S56-T246 PolarHBondContact O-N 2.93Å |
| 57 | A | 86.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -150.1 | 158.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | W36 A61 K63 S226 T246 | W36-A57 HydrophobicContact CH2-CB 3.92Å; W36-A57 HydrophobicContact CZ2-CB 4Å; W36-A57 HydrophobicContact CZ3-CB 4.32Å; A57-A61 HydrophobicContact CB-CB 3.72Å; A57-K63 HydrophobicContact CB-CD 4.18Å; A57-K63 HydrophobicContact CB-CG 3.93Å; A57-K63 PolarHBondContact O-NZ 2.93Å; A57-S226 PolarHBondContact N-O 3.41Å; A57-T246 HydrophobicContact CB-CG2 3.52Å | ||
| 58 | P | 78.4 | Confident | 85.4 | Confident | 27 Ų | 27 | 24.2 Ų | 24.2 | 18% | 0.175 | 15% | 0.149 | C | C | . | . | trans | -52 | 151.8 | 172.4 | -28.3 | 36.5 | 0 | 0 | 0 | 113.2 | S60 A61 F248 R249 | P58-S60 VanDerWaalsContact C-N 3.25Å; P58-S60 PolarHBondContact O-N 3.41Å; P58-S60 VanDerWaalsContact O-N 3.15Å; P58-A61 HydrophobicContact CB-CB 4.36Å; P58-A61 WeakPolarHBondContact O-CB 3.34Å; P58-A61 PolarHBondContact O-N 2.84Å; P58-F248 WeakPolarHBondContact CD-O 3.44Å; P58-F248 WeakPolarHBondContact CG-O 3.31Å; P58-R249 HydrophobicContact CB-CG 4.48Å | ||
| 59 | T | 73.6 | Confident | 85.8 | Confident | 73 Ų | 73 | 21 Ų | 21 | 45% | 0.448 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -55.4 | -38.9 | -173.1 | -36.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 60 | S | 74.9 | Confident | 86.3 | Confident | 28 Ų | 28 | 20.9 Ų | 20.9 | 20% | 0.196 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -91.2 | 15.4 | 178.3 | 69.8 | 0 | 0 | 0 | 0 | 114.4 | P58 G62 R249 P250 | P58-S60 VanDerWaalsContact C-N 3.25Å; P58-S60 PolarHBondContact O-N 3.41Å; P58-S60 VanDerWaalsContact O-N 3.15Å; S60-G62 VanDerWaalsContact C-N 3.3Å; S60-R249 VanDerWaalsContact OG-CG 3.27Å; S60-R249 WeakPolarHBondContact OG-CG 3.48Å; S60-R249 PolarHBondContact OG-NE 2.94Å; S60-P250 WeakPolarHBondContact O-CD 3.38Å; S60-P250 WeakPolarHBondContact O-CG 3.48Å |
| 61 | A | 79.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -80.9 | -7.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F34 W36 A57 P58 F248 | F34-A61 WeakPolarHBondContact CD2-O 3.17Å; W36-A61 HydrophobicContact CZ2-CB 4.06Å; W36-A61 WeakPolarHBondContact CZ2-O 3.42Å; W36-A61 PolarHBondContact NE1-O 3.43Å; A57-A61 HydrophobicContact CB-CB 3.72Å; P58-A61 HydrophobicContact CB-CB 4.36Å; P58-A61 WeakPolarHBondContact O-CB 3.34Å; P58-A61 PolarHBondContact O-N 2.84Å; A61-F248 WeakPolarHBondContact CB-O 3.32Å |
| 62 | G | 78.8 | Confident | 86.8 | Confident | 27 Ų | 27 | 13.2 Ų | 13.2 | 28% | 0.278 | 9% | 0.085 | S | C | . | . | trans | 87 | 36.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q37 S60 T64 | Q37-G62 PolarHBondContact NE2-O 3.12Å; S60-G62 VanDerWaalsContact C-N 3.3Å; G62-T64 VanDerWaalsContact C-N 3.34Å; G62-T64 PolarHBondContact O-N 3.46Å | ||
| 63 | K | 86.7 | Confident | 86.4 | Confident | 9 Ų | 9 | 12.7 Ų | 12.7 | 4% | 0.039 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -53.6 | -45.4 | -174.9 | -70.3 | -155.1 | -60 | -97.6 | 0 | 114.2 | W36 Y55 A57 L65 V66 E159 M225 S226 | W36-K63 HydrophobicContact CH2-CG 4.37Å; Y55-K63 HydrophobicContact CE2-CB 4Å; Y55-K63 HydrophobicContact CE2-CD 4.45Å; Y55-K63 HydrophobicContact CE2-CG 4.3Å; Y55-K63 WeakPolarHBondContact CE2-O 3.44Å; Y55-K63 PolarHBondContact OH-O 3.09Å; A57-K63 HydrophobicContact CB-CD 4.18Å; A57-K63 HydrophobicContact CB-CG 3.93Å; A57-K63 PolarHBondContact O-NZ 2.93Å; K63-L65 VanDerWaalsContact C-N 3.32Å; K63-L65 PolarHBondContact O-N 2.69Å; K63-V66 PolarHBondContact O-N 3.03Å; K63-E159 IonicContact NZ-OE2 3.65Å; K63-E159 PolarHBondContact NZ-OE2 2.84Å; K63-M225 HydrophobicContact CB-SD 4.08Å; K63-M225 HydrophobicContact CD-CB 4.24Å; K63-S226 VanDerWaalsContact CD-O 3.25Å; K63-S226 WeakPolarHBondContact CD-O 3.18Å; K63-S226 VanDerWaalsContact CE-O 3.27Å; K63-S226 WeakPolarHBondContact CE-O 3.48Å; K63-S226 PolarHBondContact NZ-O 3.36Å |
| 64 | T | 86.3 | Confident | 86 | Confident | 43 Ų | 43 | 13 Ų | 13 | 26% | 0.264 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -68 | -29.6 | -165 | -27.5 | 0 | 0 | 0 | 0 | 113.3 | G62 V66 A67 E68 K95 M225 | G62-T64 VanDerWaalsContact C-N 3.34Å; G62-T64 PolarHBondContact O-N 3.46Å; T64-V66 VanDerWaalsContact C-N 3.25Å; T64-V66 PolarHBondContact O-N 3.36Å; T64-A67 PolarHBondContact O-N 2.92Å; T64-A67 VanDerWaalsContact O-N 3.1Å; T64-E68 VanDerWaalsContact C-OE1 3.26Å; T64-E68 WeakPolarHBondContact CB-OE1 3.1Å; T64-E68 WeakPolarHBondContact CG2-OE1 3.49Å; T64-E68 WeakPolarHBondContact O-CG 3.45Å; T64-E68 PolarHBondContact O-N 3Å; T64-K95 HydrophobicContact CG2-CD 4.49Å; T64-M225 HydrophobicContact CG2-CE 3.93Å; T64-M225 HydrophobicContact CG2-SD 4.48Å |
| 65 | L | 86.6 | Confident | 85.6 | Confident | 18 Ų | 18 | 13.4 Ų | 13.4 | 9% | 0.094 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.1 | -32.7 | 178.5 | -173 | 63.7 | 0 | 0 | 0 | 113 | Y25 I30 I33 K63 E68 I69 | Y25-L65 HydrophobicContact CD1-CD1 4.49Å; Y25-L65 HydrophobicContact CE1-CD1 3.74Å; Y25-L65 HydrophobicContact CE2-CD1 4.43Å; I30-L65 HydrophobicContact CG2-CD2 4.23Å; I33-L65 HydrophobicContact CG2-CD2 3.95Å; K63-L65 VanDerWaalsContact C-N 3.32Å; K63-L65 PolarHBondContact O-N 2.69Å; L65-E68 PolarHBondContact O-N 3.19Å; L65-I69 HydrophobicContact CG-CD1 4.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.12Å; L65-I69 PolarHBondContact O-N 3.45Å |
| 66 | V | 89.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.9 | -48.5 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | W36 Q37 L41 L53 Y55 K63 T64 I69 I70 | W36-V66 HydrophobicContact CH2-CG2 4.17Å; W36-V66 HydrophobicContact CZ3-CG2 4.29Å; Q37-V66 HydrophobicContact CB-CG2 3.85Å; Q37-V66 HydrophobicContact CG-CG2 3.84Å; L41-V66 HydrophobicContact CD2-CG1 3.88Å; L41-V66 HydrophobicContact CG-CG1 4.18Å; L53-V66 HydrophobicContact CD2-CG1 4.25Å; Y55-V66 HydrophobicContact CE1-CG1 4.24Å; Y55-V66 HydrophobicContact CE2-CB 4.08Å; Y55-V66 HydrophobicContact CE2-CG1 4.33Å; Y55-V66 HydrophobicContact CE2-CG2 4.41Å; K63-V66 PolarHBondContact O-N 3.03Å; T64-V66 VanDerWaalsContact C-N 3.25Å; T64-V66 PolarHBondContact O-N 3.36Å; V66-I69 PolarHBondContact O-N 2.98Å; V66-I70 HydrophobicContact CG1-CD1 4.13Å; V66-I70 WeakPolarHBondContact O-CG1 3.31Å; V66-I70 PolarHBondContact O-N 3.35Å |
| 67 | A | 91 | Very high | 84.8 | Confident | 3 Ų | 3 | 20.2 Ų | 20.2 | 3% | 0.025 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.2 | -35.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y55 T64 I70 V71 V156 V223 M225 | Y55-A67 PolarHBondContact OH-N 3.28Å; T64-A67 PolarHBondContact O-N 2.92Å; T64-A67 VanDerWaalsContact O-N 3.1Å; A67-I70 PolarHBondContact O-N 2.96Å; A67-V71 WeakPolarHBondContact O-CB 3.34Å; A67-V71 VanDerWaalsContact O-CG2 3.29Å; A67-V71 WeakPolarHBondContact O-CG2 3.39Å; A67-V71 PolarHBondContact O-N 2.99Å; A67-V156 HydrophobicContact CB-CG1 3.77Å; A67-V156 HydrophobicContact CB-CG2 4.19Å; A67-V223 HydrophobicContact CB-CG1 4.33Å; A67-M225 HydrophobicContact CB-CE 4.21Å; A67-M225 HydrophobicContact CB-SD 4.48Å |
| 68 | E | 89.1 | Confident | 84.6 | Confident | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 177.7 | -73.2 | 156.4 | -142.7 | 0 | 0 | 112.5 | T64 L65 L72 K95 Y98 L99 | T64-E68 VanDerWaalsContact C-OE1 3.26Å; T64-E68 WeakPolarHBondContact CB-OE1 3.1Å; T64-E68 WeakPolarHBondContact CG2-OE1 3.49Å; T64-E68 WeakPolarHBondContact O-CG 3.45Å; T64-E68 PolarHBondContact O-N 3Å; L65-E68 PolarHBondContact O-N 3.19Å; E68-L72 WeakPolarHBondContact O-CB 3.5Å; E68-L72 PolarHBondContact O-N 2.91Å; E68-K95 WeakPolarHBondContact OE1-CE 3.48Å; E68-K95 IonicContact OE1-NZ 2.9Å; E68-K95 PolarHBondContact OE1-NZ 3.42Å; E68-Y98 PolarHBondContact OE2-OH 2.89Å; E68-L99 HydrophobicContact CG-CD2 4.26Å |
| 69 | I | 86.9 | Confident | 84.8 | Confident | 11 Ų | 11 | 24.2 Ų | 24.2 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.9 | -44.8 | 176.4 | -68.5 | 166 | 0 | 0 | 0 | 111 | L41 L65 V66 L72 K73 | L41-I69 HydrophobicContact CD1-CD1 4.04Å; L41-I69 HydrophobicContact CD1-CG2 4.43Å; L41-I69 HydrophobicContact CD2-CG2 4.31Å; L65-I69 HydrophobicContact CG-CD1 4.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.12Å; L65-I69 PolarHBondContact O-N 3.45Å; V66-I69 PolarHBondContact O-N 2.98Å; I69-L72 PolarHBondContact O-N 3.4Å; I69-K73 WeakPolarHBondContact O-CB 3.32Å; I69-K73 PolarHBondContact O-N 3.11Å |
| 70 | I | 89.9 | Confident | 85.6 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 179.3 | -58.5 | 164.9 | 0 | 0 | 0 | 110.8 | L41 V46 L53 V66 A67 L72 K73 R74 I154 V223 | L41-I70 HydrophobicContact CD2-CD1 4.02Å; L41-I70 HydrophobicContact CD2-CG1 3.72Å; V46-I70 HydrophobicContact CG1-CD1 4.06Å; L53-I70 HydrophobicContact CD2-CD1 3.82Å; V66-I70 HydrophobicContact CG1-CD1 4.13Å; V66-I70 WeakPolarHBondContact O-CG1 3.31Å; V66-I70 PolarHBondContact O-N 3.35Å; A67-I70 PolarHBondContact O-N 2.96Å; I70-L72 PolarHBondContact O-N 3.3Å; I70-K73 PolarHBondContact O-N 2.79Å; I70-R74 WeakPolarHBondContact O-CB 3.29Å; I70-R74 PolarHBondContact O-N 2.68Å; I70-I154 HydrophobicContact CB-CD1 4.47Å; I70-I154 HydrophobicContact CG2-CD1 3.67Å; I70-V223 HydrophobicContact CD1-CG1 4.49Å; I70-V223 HydrophobicContact CD1-CG2 4.46Å; I70-V223 HydrophobicContact CG2-CG2 4.3Å |
| 71 | V | 90.9 | Very high | 86.4 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.4 | -48.3 | 175.9 | 163.7 | 0 | 0 | 0 | 0 | 111.4 | A67 R74 I75 A82 I84 I154 V156 | A67-V71 WeakPolarHBondContact O-CB 3.34Å; A67-V71 VanDerWaalsContact O-CG2 3.29Å; A67-V71 WeakPolarHBondContact O-CG2 3.39Å; A67-V71 PolarHBondContact O-N 2.99Å; V71-R74 PolarHBondContact O-N 3.31Å; V71-I75 HydrophobicContact CG1-CD1 3.63Å; V71-I75 WeakPolarHBondContact O-CD1 3.3Å; V71-I75 VanDerWaalsContact O-CG1 3.27Å; V71-I75 WeakPolarHBondContact O-CG1 3.49Å; V71-I75 PolarHBondContact O-N 3.27Å; V71-A82 HydrophobicContact CG1-CB 3.73Å; V71-I84 HydrophobicContact CG1-CD1 4.5Å; V71-I154 HydrophobicContact CG2-CD1 4.02Å; V71-I154 HydrophobicContact CG2-CG2 4.32Å; V71-V156 HydrophobicContact CG2-CG2 3.34Å |
| 72 | L | 86.9 | Confident | 87.2 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.8 | -50.4 | 178.7 | -175.1 | 85.3 | 0 | 0 | 0 | 111.3 | P18 L21 E68 I69 I70 R74 I75 L76 F103 L106 I108 | P18-L72 HydrophobicContact CG-CD2 4.14Å; L21-L72 HydrophobicContact CD2-CD1 4.25Å; L21-L72 HydrophobicContact CD2-CD2 3.32Å; L21-L72 HydrophobicContact CD2-CG 4.34Å; E68-L72 WeakPolarHBondContact O-CB 3.5Å; E68-L72 PolarHBondContact O-N 2.91Å; I69-L72 PolarHBondContact O-N 3.4Å; I70-L72 PolarHBondContact O-N 3.3Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 3.04Å; L72-I75 PolarHBondContact O-N 2.7Å; L72-L76 HydrophobicContact CD1-CD1 4.21Å; L72-L76 HydrophobicContact CD2-CD1 4.07Å; L72-L76 HydrophobicContact CG-CD1 3.79Å; L72-L76 HydrophobicContact CG-CG 4.33Å; L72-L76 WeakPolarHBondContact O-CG 3.36Å; L72-L76 PolarHBondContact O-N 3.5Å; L72-F103 HydrophobicContact CD1-CD1 4.13Å; L72-F103 HydrophobicContact CD1-CE1 3.81Å; L72-F103 HydrophobicContact CD1-CZ 4.22Å; L72-L106 HydrophobicContact CD1-CD1 3.74Å; L72-I108 HydrophobicContact CD1-CD1 3.86Å |
| 73 | K | 85.2 | Confident | 88 | Confident | 11 Ų | 11 | 21.8 Ų | 21.8 | 5% | 0.048 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.5 | -46.2 | 179.1 | 176.6 | 171.2 | 170.1 | 65.3 | 0 | 111.2 | Y16 L47 I69 I70 I75 L76 E77 | Y16-K73 HydrophobicContact CD1-CB 4.08Å; Y16-K73 HydrophobicContact CD1-CD 4.01Å; Y16-K73 HydrophobicContact CD1-CG 3.68Å; Y16-K73 HydrophobicContact CD2-CD 4.29Å; Y16-K73 VanDerWaalsContact CD2-NZ 3.31Å; Y16-K73 HydrophobicContact CE1-CG 4.03Å; Y16-K73 HydrophobicContact CG-CD 3.86Å; Y16-K73 HydrophobicContact CG-CG 4.08Å; L47-K73 HydrophobicContact CB-CD 4.43Å; L47-K73 HydrophobicContact CD2-CD 3.8Å; L47-K73 VanDerWaalsContact O-CD 3.3Å; L47-K73 WeakPolarHBondContact O-CD 3.41Å; L47-K73 WeakPolarHBondContact O-CE 3.19Å; I69-K73 WeakPolarHBondContact O-CB 3.32Å; I69-K73 PolarHBondContact O-N 3.11Å; I70-K73 PolarHBondContact O-N 2.79Å; K73-I75 PolarHBondContact O-N 3.49Å; K73-L76 PolarHBondContact O-N 3.11Å; K73-E77 VanDerWaalsContact CE-OE2 3.23Å; K73-E77 WeakPolarHBondContact CE-OE2 3.33Å; K73-E77 HydrophobicContact CG-CG 4.39Å; K73-E77 WeakPolarHBondContact CG-OE2 3.37Å; K73-E77 IonicContact NZ-OE1 2.69Å; K73-E77 PolarHBondContact NZ-OE1 3.42Å; K73-E77 IonicContact NZ-OE2 2.72Å; K73-E77 PolarHBondContact NZ-OE2 2.92Å; K73-E77 WeakPolarHBondContact O-CB 3.37Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.08Å |
| 74 | R | 86.5 | Confident | 88.5 | Confident | 6 Ų | 6 | 21.9 Ų | 21.9 | 2% | 0.023 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 178.7 | -167.5 | 61.3 | 141.8 | -155.5 | -7.1 | 112.2 | D48 G49 I70 V71 L72 S78 G153 I154 Y218 G219 | D48-R74 PolarHBondContact O-NH1 2.87Å; G49-R74 VanDerWaalsContact CA-NH1 3.34Å; G49-R74 PolarHBondContact O-NH1 2.86Å; G49-R74 PolarHBondContact O-NH2 2.98Å; I70-R74 WeakPolarHBondContact O-CB 3.29Å; I70-R74 PolarHBondContact O-N 2.68Å; V71-R74 PolarHBondContact O-N 3.31Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 3.04Å; R74-S78 WeakPolarHBondContact O-CB 3.43Å; R74-S78 PolarHBondContact O-N 3.43Å; R74-S78 PolarHBondContact O-OG 2.65Å; R74-G153 PolarHBondContact NE-O 2.79Å; R74-I154 HydrophobicContact CB-CB 4.43Å; R74-I154 HydrophobicContact CB-CG2 4.06Å; R74-I154 HydrophobicContact CG-CB 4.04Å; R74-I154 HydrophobicContact CG-CG2 3.96Å; R74-Y218 VanDerWaalsContact NH1-CD1 3.28Å; R74-G219 PolarHBondContact NH2-O 2.96Å |
| 75 | I | 86.7 | Confident | 88.9 | Confident | 10 Ų | 10 | 19.9 Ų | 19.9 | 5% | 0.051 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 178.6 | -64.7 | 160.5 | 0 | 0 | 0 | 110.7 | V71 L72 K73 A79 A82 I108 V128 | V71-I75 HydrophobicContact CG1-CD1 3.63Å; V71-I75 WeakPolarHBondContact O-CD1 3.3Å; V71-I75 VanDerWaalsContact O-CG1 3.27Å; V71-I75 WeakPolarHBondContact O-CG1 3.49Å; V71-I75 PolarHBondContact O-N 3.27Å; L72-I75 PolarHBondContact O-N 2.7Å; K73-I75 PolarHBondContact O-N 3.49Å; I75-A79 VanDerWaalsContact O-CA 3.26Å; I75-A79 WeakPolarHBondContact O-CA 3.4Å; I75-A79 PolarHBondContact O-N 2.76Å; I75-A82 HydrophobicContact CD1-CB 3.86Å; I75-A82 HydrophobicContact CG1-CB 4.05Å; I75-I108 HydrophobicContact CD1-CG2 4.46Å; I75-I108 HydrophobicContact CG2-CD1 4.11Å; I75-I108 HydrophobicContact CG2-CG1 4.29Å; I75-V128 HydrophobicContact CD1-CG2 3.52Å |
| 76 | L | 83.8 | Confident | 89.1 | Confident | 84 Ų | 84 | 19.1 Ų | 19.1 | 44% | 0.44 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -69.1 | -32.6 | -177.4 | -67.6 | 177.5 | 0 | 0 | 0 | 113.2 | P18 L72 K73 I108 | P18-L76 HydrophobicContact CG-CD1 3.78Å; L72-L76 HydrophobicContact CD1-CD1 4.21Å; L72-L76 HydrophobicContact CD2-CD1 4.07Å; L72-L76 HydrophobicContact CG-CD1 3.79Å; L72-L76 HydrophobicContact CG-CG 4.33Å; L72-L76 WeakPolarHBondContact O-CG 3.36Å; L72-L76 PolarHBondContact O-N 3.5Å; K73-L76 PolarHBondContact O-N 3.11Å; L76-I108 HydrophobicContact CD2-CD1 4.14Å |
| 77 | E | 82.8 | Confident | 88.8 | Confident | 61 Ų | 61 | 19.4 Ų | 19.4 | 29% | 0.285 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -86.8 | -28.9 | 179.6 | -71.8 | -170.8 | 139.6 | 0 | 0 | 114.8 | Y16 K73 | Y16-E77 HydrophobicContact CE1-CG 3.83Å; Y16-E77 WeakPolarHBondContact OH-CG 3.48Å; Y16-E77 PolarHBondContact OH-OE1 3.37Å; K73-E77 VanDerWaalsContact CE-OE2 3.23Å; K73-E77 WeakPolarHBondContact CE-OE2 3.33Å; K73-E77 HydrophobicContact CG-CG 4.39Å; K73-E77 WeakPolarHBondContact CG-OE2 3.37Å; K73-E77 IonicContact NZ-OE1 2.69Å; K73-E77 PolarHBondContact NZ-OE1 3.42Å; K73-E77 IonicContact NZ-OE2 2.72Å; K73-E77 PolarHBondContact NZ-OE2 2.92Å; K73-E77 WeakPolarHBondContact O-CB 3.37Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.08Å |
| 78 | S | 82.5 | Confident | 88.3 | Confident | 28 Ų | 28 | 23.3 Ų | 23.3 | 20% | 0.196 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -114.5 | -12.2 | -173.2 | 70.9 | 0 | 0 | 0 | 0 | 114.8 | R74 L80 | R74-S78 WeakPolarHBondContact O-CB 3.43Å; R74-S78 PolarHBondContact O-N 3.43Å; R74-S78 PolarHBondContact O-OG 2.65Å; S78-L80 PolarHBondContact O-N 3.21Å; S78-L80 WeakPolarHBondContact OG-CB 3.34Å; S78-L80 PolarHBondContact OG-N 3.42Å |
| 79 | A | 83.4 | Confident | 87.7 | Confident | 83 Ų | 83 | 26.1 Ų | 26.1 | 69% | 0.686 | 15% | 0.145 | S | C | * | . | trans | 57.4 | 1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | I75 | I75-A79 VanDerWaalsContact O-CA 3.26Å; I75-A79 WeakPolarHBondContact O-CA 3.4Å; I75-A79 PolarHBondContact O-N 2.76Å | ||
| 80 | L | 90.1 | Very high | 87 | Confident | 50 Ų | 50 | 27.6 Ų | 27.6 | 26% | 0.262 | 16% | 0.156 | S | C | . | . | trans | -72.7 | 160 | 178.7 | -58.1 | -179.7 | 0 | 0 | 0 | 112.1 | S78 D150 | S78-L80 PolarHBondContact O-N 3.21Å; S78-L80 WeakPolarHBondContact OG-CB 3.34Å; S78-L80 PolarHBondContact OG-N 3.42Å; L80-D150 WeakPolarHBondContact CD2-O 3.36Å | ||
| 81 | K | 92.5 | Very high | 86.4 | Confident | 25 Ų | 25 | 28.5 Ų | 28.5 | 11% | 0.109 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 153.5 | 179.9 | -57.7 | 178.1 | -170.3 | -72 | 0 | 111.5 | L123 I126 N127 E151 G153 | K81-L123 HydrophobicContact CD-CD1 4.15Å; K81-L123 HydrophobicContact CD-CG 4.26Å; K81-L123 WeakPolarHBondContact CE-O 3.4Å; K81-L123 PolarHBondContact NZ-O 3.23Å; K81-I126 PolarHBondContact NZ-O 2.99Å; K81-N127 VanDerWaalsContact CA-O 3.26Å; K81-N127 WeakPolarHBondContact CA-O 3.39Å; K81-E151 VanDerWaalsContact CB-O 3.31Å; K81-E151 WeakPolarHBondContact CB-O 3.29Å; K81-E151 HydrophobicContact CD-CB 4.25Å; K81-E151 WeakPolarHBondContact CE-OE2 3.46Å; K81-E151 WeakPolarHBondContact CG-O 3.46Å; K81-E151 PolarHBondContact N-O 2.86Å; K81-E151 IonicContact NZ-OE2 3.44Å; K81-G153 PolarHBondContact O-N 3.17Å |
| 82 | A | 94.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V71 I75 N127 V128 A129 I154 | V71-A82 HydrophobicContact CG1-CB 3.73Å; I75-A82 HydrophobicContact CD1-CB 3.86Å; I75-A82 HydrophobicContact CG1-CB 4.05Å; A82-N127 PolarHBondContact N-O 3.13Å; A82-V128 WeakPolarHBondContact O-CA 3.43Å; A82-A129 PolarHBondContact O-N 3.48Å; A82-I154 WeakPolarHBondContact CA-O 3.17Å; A82-I154 HydrophobicContact CB-CG2 3.49Å; A82-I154 VanDerWaalsContact CB-CG2 3.49Å |
| 83 | F | 96.6 | Very high | 85.8 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.5 | 168.8 | -80.6 | 27.3 | 0 | 0 | 0 | 109.6 | L123 A129 L139 V140 L143 L152 I154 V155 V156 | F83-L123 HydrophobicContact CE1-CD1 4.02Å; F83-L123 HydrophobicContact CE1-CD2 4.3Å; F83-L123 HydrophobicContact CZ-CD1 4.44Å; F83-L123 HydrophobicContact CZ-CD2 4.06Å; F83-A129 WeakPolarHBondContact CA-O 3.44Å; F83-A129 HydrophobicContact CD1-CB 3.66Å; F83-A129 HydrophobicContact CE1-CB 3.82Å; F83-A129 HydrophobicContact CG-CB 4.29Å; F83-L139 HydrophobicContact CE2-CB 3.78Å; F83-L139 HydrophobicContact CE2-CD1 4.23Å; F83-L139 HydrophobicContact CZ-CB 3.9Å; F83-L139 HydrophobicContact CZ-CD1 4.13Å; F83-V140 HydrophobicContact CD2-CG2 4.47Å; F83-V140 HydrophobicContact CE2-CG2 4.09Å; F83-L143 HydrophobicContact CZ-CD1 4.04Å; F83-L152 HydrophobicContact CB-CD1 4.15Å; F83-L152 HydrophobicContact CD1-CD1 3.4Å; F83-L152 VanDerWaalsContact CD1-CD1 3.4Å; F83-L152 HydrophobicContact CD2-CD1 4.48Å; F83-L152 HydrophobicContact CE1-CD1 3.85Å; F83-L152 HydrophobicContact CG-CD1 3.77Å; F83-I154 PolarHBondContact N-O 3.21Å; F83-V155 HydrophobicContact CB-CG1 4.35Å; F83-V155 HydrophobicContact CB-CG2 4.27Å; F83-V155 WeakPolarHBondContact O-CA 3.28Å; F83-V156 PolarHBondContact O-N 3.3Å |
| 84 | I | 96.6 | Very high | 85.5 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 114.6 | 171.4 | -54.2 | 175.3 | 0 | 0 | 0 | 107.2 | V71 L86 L99 V128 A129 C131 V156 | V71-I84 HydrophobicContact CG1-CD1 4.5Å; I84-L86 HydrophobicContact CB-CD1 4.49Å; I84-L86 HydrophobicContact CG2-CD1 3.85Å; I84-L86 HydrophobicContact CG2-CG 4.45Å; I84-L99 HydrophobicContact CD1-CD1 3.41Å; I84-L99 VanDerWaalsContact CD1-CD1 3.41Å; I84-V128 HydrophobicContact CD1-CG1 3.88Å; I84-V128 HydrophobicContact CG1-CG1 4.29Å; I84-A129 PolarHBondContact N-O 3.22Å; I84-C131 PolarHBondContact O-N 3.28Å; I84-V156 HydrophobicContact CG1-CB 4.3Å; I84-V156 HydrophobicContact CG1-CG2 4.46Å; I84-V156 HydrophobicContact CG2-CB 4.26Å; I84-V156 HydrophobicContact CG2-CG1 4.32Å |
| 85 | I | 94.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.1 | -172.7 | -51.5 | -178.7 | 0 | 0 | 0 | 108.7 | I133 A136 V155 V156 V157 D158 L172 L175 | I85-I133 HydrophobicContact CG2-CG1 4Å; I85-A136 HydrophobicContact CD1-CB 3.56Å; I85-A136 HydrophobicContact CG1-CB 3.68Å; I85-A136 HydrophobicContact CG2-CB 4.19Å; I85-V155 HydrophobicContact CD1-CG1 3.51Å; I85-V155 HydrophobicContact CG1-CG1 4.09Å; I85-V156 WeakPolarHBondContact CB-O 3.26Å; I85-V156 PolarHBondContact N-O 3.17Å; I85-V157 HydrophobicContact CB-CG2 4.5Å; I85-V157 HydrophobicContact CD1-CG2 4.28Å; I85-D158 PolarHBondContact O-N 2.97Å; I85-L172 HydrophobicContact CG2-CD1 4.5Å; I85-L175 HydrophobicContact CD1-CD1 3.6Å; I85-L175 HydrophobicContact CD1-CD2 3.84Å; I85-L175 HydrophobicContact CD1-CG 4.43Å |
| 86 | L | 91.6 | Very high | 85.5 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 151.1 | 179 | -54.4 | 97 | 0 | 0 | 0 | 110.4 | I84 Y88 V91 K95 V130 C131 T132 D158 | I84-L86 HydrophobicContact CB-CD1 4.49Å; I84-L86 HydrophobicContact CG2-CD1 3.85Å; I84-L86 HydrophobicContact CG2-CG 4.45Å; L86-Y88 PolarHBondContact O-N 3.4Å; L86-V91 HydrophobicContact CB-CB 4.34Å; L86-V91 HydrophobicContact CB-CG1 4.48Å; L86-V91 HydrophobicContact CD2-CB 4.13Å; L86-V91 HydrophobicContact CD2-CG1 3.49Å; L86-V91 VanDerWaalsContact CD2-CG1 3.49Å; L86-K95 HydrophobicContact CD2-CB 3.87Å; L86-K95 HydrophobicContact CD2-CG 4.11Å; L86-V130 HydrophobicContact CD1-CG1 3.58Å; L86-C131 PolarHBondContact N-O 2.92Å; L86-T132 WeakPolarHBondContact O-CA 3.26Å; L86-D158 HydrophobicContact CG-CB 4.4Å |
| 87 | P | 82.5 | Confident | 85.5 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 5% | 0.045 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -73.6 | -26.4 | -171 | 24.4 | -33.2 | 0 | 0 | 0 | 115.3 | L162 R168 | P87-L162 HydrophobicContact CB-CD1 3.41Å; P87-L162 VanDerWaalsContact CB-CD1 3.41Å; P87-L162 HydrophobicContact CG-CD1 3.73Å; P87-R168 VanDerWaalsContact O-CZ 3.27Å; P87-R168 PolarHBondContact O-NH1 2.85Å; P87-R168 PolarHBondContact O-NH2 3.18Å |
| 88 | Y | 80.2 | Confident | 85.6 | Confident | 84 Ų | 84 | 34.5 Ų | 34.5 | 33% | 0.329 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -133.6 | 144.9 | -173.7 | -49.1 | -81.6 | 0 | 0 | 0 | 112.6 | L86 S90 V91 S92 | L86-Y88 PolarHBondContact O-N 3.4Å; Y88-S90 VanDerWaalsContact C-N 3.26Å; Y88-S90 PolarHBondContact O-N 3.29Å; Y88-V91 HydrophobicContact CD2-CG2 4.29Å; Y88-V91 PolarHBondContact O-N 3.1Å; Y88-S92 PolarHBondContact O-N 2.86Å; Y88-S92 PolarHBondContact O-OG 3.25Å |
| 89 | V | 77.1 | Confident | 85.9 | Confident | 68 Ų | 68 | 33.2 Ų | 33.2 | 41% | 0.412 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -52.1 | -39.6 | -179.7 | 175.8 | 0 | 0 | 0 | 0 | 112.7 | S92 R93 M114 A115 T132 | V89-S92 PolarHBondContact O-N 3.44Å; V89-R93 PolarHBondContact O-N 2.96Å; V89-M114 HydrophobicContact CG1-CB 4.08Å; V89-M114 HydrophobicContact CG1-CG 4.01Å; V89-M114 HydrophobicContact CG1-SD 3.99Å; V89-M114 HydrophobicContact CG2-CB 4.28Å; V89-A115 HydrophobicContact CG2-CB 4.34Å; V89-T132 HydrophobicContact CG2-CG2 3.9Å |
| 90 | S | 70.5 | Confident | 86 | Confident | 41 Ų | 41 | 32.8 Ų | 32.8 | 29% | 0.287 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 177 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | Y88 R93 E94 | Y88-S90 VanDerWaalsContact C-N 3.26Å; Y88-S90 PolarHBondContact O-N 3.29Å; S90-R93 PolarHBondContact O-N 2.93Å; S90-E94 PolarHBondContact O-N 2.94Å |
| 91 | V | 78.8 | Confident | 85.7 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 13% | 0.133 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -40.6 | 176.6 | -157.8 | 0 | 0 | 0 | 0 | 110.5 | L86 Y88 R93 E94 K95 G467 | L86-V91 HydrophobicContact CB-CB 4.34Å; L86-V91 HydrophobicContact CB-CG1 4.48Å; L86-V91 HydrophobicContact CD2-CB 4.13Å; L86-V91 HydrophobicContact CD2-CG1 3.49Å; L86-V91 VanDerWaalsContact CD2-CG1 3.49Å; Y88-V91 HydrophobicContact CD2-CG2 4.29Å; Y88-V91 PolarHBondContact O-N 3.1Å; V91-R93 VanDerWaalsContact C-N 3.29Å; V91-R93 PolarHBondContact O-N 3.37Å; V91-E94 PolarHBondContact O-N 3.49Å; V91-K95 WeakPolarHBondContact O-CB 3.48Å; V91-K95 PolarHBondContact O-N 2.76Å; V91-G467 VanDerWaalsContact CG2-O 3.28Å; V91-G467 WeakPolarHBondContact CG2-O 3.48Å |
| 92 | S | 84.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -38.4 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | Y88 V89 M96 V130 C131 | Y88-S92 PolarHBondContact O-N 2.86Å; Y88-S92 PolarHBondContact O-OG 3.25Å; V89-S92 PolarHBondContact O-N 3.44Å; S92-M96 WeakPolarHBondContact O-CB 3.48Å; S92-M96 PolarHBondContact O-N 2.85Å; S92-V130 WeakPolarHBondContact O-CG1 3.42Å; S92-C131 PolarHBondContact OG-O 3.21Å |
| 93 | R | 80.7 | Confident | 84.9 | Confident | 85 Ų | 85 | 35.1 Ų | 35.1 | 32% | 0.321 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -71.1 | -52.3 | 176.3 | -160.7 | -173.8 | -170.7 | 155.9 | 6 | 111.8 | V89 S90 V91 K95 M96 I97 M114 D966 | V89-R93 PolarHBondContact O-N 2.96Å; S90-R93 PolarHBondContact O-N 2.93Å; V91-R93 VanDerWaalsContact C-N 3.29Å; V91-R93 PolarHBondContact O-N 3.37Å; R93-K95 PolarHBondContact O-N 2.92Å; R93-M96 PolarHBondContact O-N 3.41Å; R93-I97 HydrophobicContact CG-CD1 3.86Å; R93-I97 WeakPolarHBondContact O-CD1 3.49Å; R93-I97 WeakPolarHBondContact O-CG1 3.23Å; R93-I97 PolarHBondContact O-N 2.95Å; R93-M114 HydrophobicContact CB-SD 3.9Å; R93-M114 HydrophobicContact CG-SD 4.49Å; R93-D966 IonicContact CZ-OD1 3.87Å; R93-D966 IonicContact NE-OD1 2.73Å; R93-D966 PolarHBondContact NE-OD1 3.23Å; R93-D966 IonicContact NH2-OD1 3.34Å; R93-D966 PolarHBondContact NH2-OD1 2.85Å; R93-D966 IonicContact NH2-OD2 3.36Å |
| 94 | E | 77.9 | Confident | 84.1 | Confident | 67 Ų | 67 | 40.7 Ų | 40.7 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -55.8 | -41.9 | 177.6 | -174.2 | 172 | -139.1 | 0 | 0 | 110.6 | S90 V91 Y98 R451 | S90-E94 PolarHBondContact O-N 2.94Å; V91-E94 PolarHBondContact O-N 3.49Å; E94-Y98 VanDerWaalsContact O-CB 3.28Å; E94-Y98 WeakPolarHBondContact O-CB 3.38Å; E94-Y98 PolarHBondContact O-N 2.73Å; E94-R451 IonicContact OE1-CZ 2.81Å; E94-R451 VanDerWaalsContact OE1-CZ 3.3Å; E94-R451 IonicContact OE1-NH1 3.15Å; E94-R451 PolarHBondContact OE1-NH1 3.47Å; E94-R451 IonicContact OE1-NH2 2.85Å; E94-R451 PolarHBondContact OE1-NH2 3.39Å |
| 95 | K | 85 | Confident | 83.2 | Confident | 29 Ų | 29 | 44.6 Ų | 44.6 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.5 | -34.3 | 178.7 | -157.8 | 70.1 | -171.2 | 169.3 | 0 | 113.8 | T64 E68 L86 V91 R93 Y98 L99 V130 | T64-K95 HydrophobicContact CG2-CD 4.49Å; E68-K95 WeakPolarHBondContact OE1-CE 3.48Å; E68-K95 IonicContact OE1-NZ 2.9Å; E68-K95 PolarHBondContact OE1-NZ 3.42Å; L86-K95 HydrophobicContact CD2-CB 3.87Å; L86-K95 HydrophobicContact CD2-CG 4.11Å; V91-K95 WeakPolarHBondContact O-CB 3.48Å; V91-K95 PolarHBondContact O-N 2.76Å; R93-K95 PolarHBondContact O-N 2.92Å; K95-Y98 HydrophobicContact CD-CD1 4.03Å; K95-L99 HydrophobicContact CG-CD1 4.11Å; K95-L99 HydrophobicContact CG-CG 4.35Å; K95-L99 WeakPolarHBondContact O-CB 3.49Å; K95-L99 VanDerWaalsContact O-CG 3.27Å; K95-L99 WeakPolarHBondContact O-CG 3.19Å; K95-L99 PolarHBondContact O-N 2.81Å; K95-V130 HydrophobicContact CB-CG1 4.47Å |
| 96 | M | 88.5 | Confident | 82.5 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -50.8 | 171.8 | -179.5 | -165.1 | 75.1 | 0 | 0 | 110.8 | S92 R93 Y98 L99 Q100 G112 M114 V130 | S92-M96 WeakPolarHBondContact O-CB 3.48Å; S92-M96 PolarHBondContact O-N 2.85Å; R93-M96 PolarHBondContact O-N 3.41Å; M96-Y98 PolarHBondContact O-N 3.09Å; M96-L99 PolarHBondContact O-N 3.24Å; M96-Q100 HydrophobicContact CG-CG 4.37Å; M96-Q100 WeakPolarHBondContact O-CB 3.49Å; M96-Q100 VanDerWaalsContact O-CG 3.27Å; M96-Q100 WeakPolarHBondContact O-CG 3.39Å; M96-Q100 PolarHBondContact O-N 3.1Å; M96-G112 VanDerWaalsContact SD-CA 3.56Å; M96-G112 PolarHBondContact SD-N 3.31Å; M96-G112 VanDerWaalsContact SD-N 3.37Å; M96-M114 HydrophobicContact CB-CE 4.44Å; M96-M114 HydrophobicContact SD-CE 4.2Å; M96-V130 HydrophobicContact CB-CB 4.2Å; M96-V130 HydrophobicContact CB-CG1 4.27Å; M96-V130 HydrophobicContact CB-CG2 4.39Å |
| 97 | I | 83.2 | Confident | 81.9 | Confident | 42 Ų | 42 | 49.5 Ų | 49.5 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 179.8 | -67.1 | 157 | 0 | 0 | 0 | 110.7 | R93 L99 Q100 K101 D966 | R93-I97 HydrophobicContact CG-CD1 3.86Å; R93-I97 WeakPolarHBondContact O-CD1 3.49Å; R93-I97 WeakPolarHBondContact O-CG1 3.23Å; R93-I97 PolarHBondContact O-N 2.95Å; I97-L99 PolarHBondContact O-N 2.59Å; I97-Q100 PolarHBondContact O-N 2.8Å; I97-K101 PolarHBondContact O-N 3.18Å; I97-D966 HydrophobicContact CD1-CB 4.19Å; I97-D966 WeakPolarHBondContact CD1-O 3.5Å; I97-D966 HydrophobicContact CG1-CB 4.34Å; I97-D966 VanDerWaalsContact CG2-O 3.31Å; I97-D966 WeakPolarHBondContact CG2-O 3.34Å |
| 98 | Y | 86 | Confident | 82.1 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 24% | 0.243 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56 | -50.8 | 175.6 | 172.4 | -95.8 | 0 | 0 | 0 | 112.2 | M28 E68 E94 K95 M96 K101 L102 | M28-Y98 HydrophobicContact CE-CE2 4.35Å; M28-Y98 HydrophobicContact SD-CD2 4.5Å; M28-Y98 HydrophobicContact SD-CE2 3.63Å; E68-Y98 PolarHBondContact OE2-OH 2.89Å; E94-Y98 VanDerWaalsContact O-CB 3.28Å; E94-Y98 WeakPolarHBondContact O-CB 3.38Å; E94-Y98 PolarHBondContact O-N 2.73Å; K95-Y98 HydrophobicContact CD-CD1 4.03Å; M96-Y98 PolarHBondContact O-N 3.09Å; Y98-K101 PolarHBondContact O-N 3.12Å; Y98-L102 HydrophobicContact CE1-CD2 3.88Å; Y98-L102 WeakPolarHBondContact O-CB 3.28Å; Y98-L102 PolarHBondContact O-N 2.97Å |
| 99 | L | 88.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72 | -32.6 | -178.8 | -68.3 | 175.9 | 0 | 0 | 0 | 112.7 | E68 I84 K95 M96 I97 L102 F103 V110 V130 | E68-L99 HydrophobicContact CG-CD2 4.26Å; I84-L99 HydrophobicContact CD1-CD1 3.41Å; I84-L99 VanDerWaalsContact CD1-CD1 3.41Å; K95-L99 HydrophobicContact CG-CD1 4.11Å; K95-L99 HydrophobicContact CG-CG 4.35Å; K95-L99 WeakPolarHBondContact O-CB 3.49Å; K95-L99 VanDerWaalsContact O-CG 3.27Å; K95-L99 WeakPolarHBondContact O-CG 3.19Å; K95-L99 PolarHBondContact O-N 2.81Å; M96-L99 PolarHBondContact O-N 3.24Å; I97-L99 PolarHBondContact O-N 2.59Å; L99-L102 HydrophobicContact CD2-CD2 4.2Å; L99-L102 PolarHBondContact O-N 2.79Å; L99-F103 HydrophobicContact CB-CD2 4.45Å; L99-F103 HydrophobicContact CD2-CD2 4.48Å; L99-F103 HydrophobicContact CD2-CE2 3.91Å; L99-F103 HydrophobicContact CD2-CZ 4.01Å; L99-F103 VanDerWaalsContact O-CB 3.32Å; L99-F103 WeakPolarHBondContact O-CB 3.43Å; L99-F103 PolarHBondContact O-N 2.82Å; L99-V110 HydrophobicContact CB-CG1 3.97Å; L99-V110 HydrophobicContact CB-CG2 4.3Å; L99-V130 HydrophobicContact CD1-CG2 4.08Å |
| 100 | Q | 85.7 | Confident | 83.1 | Confident | 74 Ų | 74 | 50.2 Ų | 50.2 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.7 | -52 | 171.1 | -80.3 | 174.5 | -21.4 | 0 | 0 | 110.3 | M96 I97 L102 N104 V110 | M96-Q100 HydrophobicContact CG-CG 4.37Å; M96-Q100 WeakPolarHBondContact O-CB 3.49Å; M96-Q100 VanDerWaalsContact O-CG 3.27Å; M96-Q100 WeakPolarHBondContact O-CG 3.39Å; M96-Q100 PolarHBondContact O-N 3.1Å; I97-Q100 PolarHBondContact O-N 2.8Å; Q100-L102 VanDerWaalsContact C-N 3.32Å; Q100-L102 PolarHBondContact O-N 3.39Å; Q100-N104 WeakPolarHBondContact O-CB 3.4Å; Q100-N104 PolarHBondContact O-N 2.84Å; Q100-V110 HydrophobicContact CG-CB 3.74Å; Q100-V110 HydrophobicContact CG-CG1 4.14Å; Q100-V110 PolarHBondContact NE2-O 3.21Å |
| 101 | K | 82.8 | Confident | 83.8 | Confident | 122 Ų | 122 | 48.4 Ų | 48.4 | 53% | 0.53 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.8 | -48.2 | 175.5 | -175.9 | 180 | 176.4 | -173.1 | 0 | 111.3 | Q24 M28 I97 Y98 F103 | Q24-K101 PolarHBondContact NE2-O 3.32Å; Q24-K101 PolarHBondContact OE1-O 3.08Å; Q24-K101 VanDerWaalsContact OE1-O 3.14Å; M28-K101 HydrophobicContact CE-CD 4.33Å; I97-K101 PolarHBondContact O-N 3.18Å; Y98-K101 PolarHBondContact O-N 3.12Å; K101-F103 PolarHBondContact O-N 3.4Å |
| 102 | L | 84.1 | Confident | 84.2 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.9 | -37.7 | -173.9 | -170.5 | 67.3 | 0 | 0 | 0 | 113.7 | L21 Q24 Y25 M28 Y98 L99 Q100 | L21-L102 HydrophobicContact CD1-CD1 3.5Å; L21-L102 HydrophobicContact CD1-CD2 4.29Å; L21-L102 HydrophobicContact CD1-CG 3.57Å; Q24-L102 HydrophobicContact CB-CD1 4.05Å; Y25-L102 HydrophobicContact CD1-CD1 4.02Å; Y25-L102 HydrophobicContact CE1-CD1 3.84Å; Y25-L102 HydrophobicContact CE1-CD2 3.96Å; M28-L102 HydrophobicContact CE-CB 4.46Å; M28-L102 HydrophobicContact CE-CD1 3.8Å; M28-L102 HydrophobicContact SD-CD1 4.35Å; Y98-L102 HydrophobicContact CE1-CD2 3.88Å; Y98-L102 WeakPolarHBondContact O-CB 3.28Å; Y98-L102 PolarHBondContact O-N 2.97Å; L99-L102 HydrophobicContact CD2-CD2 4.2Å; L99-L102 PolarHBondContact O-N 2.79Å; Q100-L102 VanDerWaalsContact C-N 3.32Å; Q100-L102 PolarHBondContact O-N 3.39Å |
| 103 | F | 86.2 | Confident | 84.2 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -107.4 | -12.3 | -170.2 | -65.3 | -17.1 | 0 | 0 | 0 | 115.2 | L21 L72 L99 K101 N105 L106 I108 V110 V128 | L21-F103 HydrophobicContact CD1-CD1 4.3Å; L21-F103 HydrophobicContact CD1-CE1 4.34Å; L72-F103 HydrophobicContact CD1-CD1 4.13Å; L72-F103 HydrophobicContact CD1-CE1 3.81Å; L72-F103 HydrophobicContact CD1-CZ 4.22Å; L99-F103 HydrophobicContact CB-CD2 4.45Å; L99-F103 HydrophobicContact CD2-CD2 4.48Å; L99-F103 HydrophobicContact CD2-CE2 3.91Å; L99-F103 HydrophobicContact CD2-CZ 4.01Å; L99-F103 VanDerWaalsContact O-CB 3.32Å; L99-F103 WeakPolarHBondContact O-CB 3.43Å; L99-F103 PolarHBondContact O-N 2.82Å; K101-F103 PolarHBondContact O-N 3.4Å; F103-N105 VanDerWaalsContact C-N 3.28Å; F103-N105 PolarHBondContact O-N 2.93Å; F103-L106 WeakPolarHBondContact O-CB 3.4Å; F103-L106 PolarHBondContact O-N 3.13Å; F103-I108 HydrophobicContact CB-CB 4.11Å; F103-I108 HydrophobicContact CB-CG2 4.17Å; F103-I108 HydrophobicContact CD2-CG2 4.13Å; F103-I108 HydrophobicContact CG-CG2 4.47Å; F103-V110 HydrophobicContact CB-CG2 4.17Å; F103-V110 HydrophobicContact CD2-CG2 3.93Å; F103-V128 HydrophobicContact CD2-CG2 4.37Å; F103-V128 HydrophobicContact CE2-CG2 4.46Å |
| 104 | N | 79.7 | Confident | 84.2 | Confident | 118 Ų | 118 | 44.2 Ų | 44.2 | 63% | 0.631 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -55.6 | -39 | -177 | -178.3 | 76.9 | 0 | 0 | 0 | 113.5 | Q100 L106 G107 | Q100-N104 WeakPolarHBondContact O-CB 3.4Å; Q100-N104 PolarHBondContact O-N 2.84Å; N104-L106 PolarHBondContact O-N 2.91Å; N104-G107 PolarHBondContact O-N 3.29Å |
| 105 | N | 78.2 | Confident | 83.7 | Confident | 92 Ų | 92 | 41.7 Ų | 41.7 | 49% | 0.492 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -67.9 | -13.5 | 179 | -64.1 | 17.2 | 0 | 0 | 0 | 113.6 | E20 F103 | E20-N105 HydrophobicContact CG-CB 4.27Å; F103-N105 VanDerWaalsContact C-N 3.28Å; F103-N105 PolarHBondContact O-N 2.93Å |
| 106 | L | 80.5 | Confident | 82.7 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -97.6 | 6.3 | 178.5 | -56.3 | 176.1 | 0 | 0 | 0 | 112.5 | E20 L21 L72 F103 N104 I108 | E20-L106 HydrophobicContact CB-CD2 4.21Å; L21-L106 HydrophobicContact CB-CD1 4.41Å; L72-L106 HydrophobicContact CD1-CD1 3.74Å; F103-L106 WeakPolarHBondContact O-CB 3.4Å; F103-L106 PolarHBondContact O-N 3.13Å; N104-L106 PolarHBondContact O-N 2.91Å; L106-I108 HydrophobicContact CB-CD1 4.1Å; L106-I108 HydrophobicContact CB-CG1 4.2Å; L106-I108 HydrophobicContact CD1-CD1 4.36Å; L106-I108 PolarHBondContact O-N 2.99Å; L106-I108 VanDerWaalsContact O-N 3.14Å |
| 107 | G | 79.2 | Confident | 81.8 | Confident | 60 Ų | 60 | 44 Ų | 44 | 62% | 0.619 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | -1.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N104 R109 | N104-G107 PolarHBondContact O-N 3.29Å; G107-R109 PolarHBondContact O-N 2.88Å |
| 108 | I | 86.7 | Confident | 81.4 | Confident | 12 Ų | 12 | 44.9 Ų | 44.9 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | trans | -77 | 111.6 | -178.7 | -65.4 | 172.6 | 0 | 0 | 0 | 109.1 | L72 I75 L76 F103 L106 N127 V128 | L72-I108 HydrophobicContact CD1-CD1 3.86Å; I75-I108 HydrophobicContact CD1-CG2 4.46Å; I75-I108 HydrophobicContact CG2-CD1 4.11Å; I75-I108 HydrophobicContact CG2-CG1 4.29Å; L76-I108 HydrophobicContact CD2-CD1 4.14Å; F103-I108 HydrophobicContact CB-CB 4.11Å; F103-I108 HydrophobicContact CB-CG2 4.17Å; F103-I108 HydrophobicContact CD2-CG2 4.13Å; F103-I108 HydrophobicContact CG-CG2 4.47Å; L106-I108 HydrophobicContact CB-CD1 4.1Å; L106-I108 HydrophobicContact CB-CG1 4.2Å; L106-I108 HydrophobicContact CD1-CD1 4.36Å; L106-I108 PolarHBondContact O-N 2.99Å; L106-I108 VanDerWaalsContact O-N 3.14Å; I108-N127 HydrophobicContact CG2-CB 3.95Å; I108-V128 HydrophobicContact CG2-CG2 3.8Å | ||
| 109 | R | 87.2 | Confident | 80.7 | Confident | 149 Ų | 149 | 42.7 Ų | 42.7 | 56% | 0.562 | 23% | 0.231 | S | C | * | . | trans | -84.8 | 123.3 | -178.9 | -67.6 | -172 | -68.2 | 166.9 | 2.1 | 111.7 | G107 A125 N127 V128 | G107-R109 PolarHBondContact O-N 2.88Å; R109-A125 PolarHBondContact NE-O 3.2Å; R109-A125 PolarHBondContact NH1-O 3.03Å; R109-A125 PolarHBondContact NH2-O 2.9Å; R109-A125 VanDerWaalsContact NH2-O 3.08Å; R109-N127 PolarHBondContact N-OD1 3.35Å; R109-N127 PolarHBondContact O-N 3.47Å; R109-V128 PolarHBondContact O-N 2.91Å | ||
| 110 | V | 90 | Very high | 79.3 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.4 | -179.1 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | L99 Q100 F103 V128 V130 | L99-V110 HydrophobicContact CB-CG1 3.97Å; L99-V110 HydrophobicContact CB-CG2 4.3Å; Q100-V110 HydrophobicContact CG-CB 3.74Å; Q100-V110 HydrophobicContact CG-CG1 4.14Å; Q100-V110 PolarHBondContact NE2-O 3.21Å; F103-V110 HydrophobicContact CB-CG2 4.17Å; F103-V110 HydrophobicContact CD2-CG2 3.93Å; V110-V128 WeakPolarHBondContact CA-O 3.5Å; V110-V128 HydrophobicContact CB-CB 4.31Å; V110-V128 HydrophobicContact CG1-CB 4.13Å; V110-V128 HydrophobicContact CG1-CG1 4.25Å; V110-V128 HydrophobicContact CG2-CB 4.01Å; V110-V128 HydrophobicContact CG2-CG2 4.2Å; V110-V130 HydrophobicContact CG1-CG2 3.83Å |
| 111 | G | 86.2 | Confident | 78.2 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V128 A129 V130 | G111-V128 PolarHBondContact N-O 2.93Å; G111-A129 WeakPolarHBondContact O-CA 3.38Å; G111-V130 PolarHBondContact O-N 2.91Å |
| 112 | G | 86.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M96 H117 V130 | M96-G112 VanDerWaalsContact SD-CA 3.56Å; M96-G112 PolarHBondContact SD-N 3.31Å; M96-G112 VanDerWaalsContact SD-N 3.37Å; G112-H117 PolarHBondContact O-ND1 3.38Å; G112-V130 CarbonylContact C-O 3.51Å; G112-V130 VanDerWaalsContact CA-O 3.28Å; G112-V130 WeakPolarHBondContact CA-O 3.22Å |
| 113 | Y | 86.1 | Confident | 77.8 | Confident | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 101.2 | 172.8 | -62.6 | -96.1 | 0 | 0 | 0 | 110.3 | P119 G122 L123 I126 A129 V130 C131 T132 K135 L139 | Y113-P119 VanDerWaalsContact CE1-CD 3.5Å; Y113-P119 HydrophobicContact CE1-CG 4.19Å; Y113-P119 HydrophobicContact CE2-CG 3.97Å; Y113-P119 VanDerWaalsContact CZ-CD 3.44Å; Y113-P119 WeakPolarHBondContact OH-CG 3.3Å; Y113-G122 PolarHBondContact OH-O 3Å; Y113-L123 HydrophobicContact CE2-CD1 4.46Å; Y113-L123 WeakPolarHBondContact OH-CA 3.23Å; Y113-L123 PolarHBondContact OH-N 3.46Å; Y113-L123 VanDerWaalsContact OH-N 3.11Å; Y113-I126 HydrophobicContact CE2-CD1 3.6Å; Y113-A129 HydrophobicContact CD2-CB 4.12Å; Y113-A129 HydrophobicContact CE2-CB 3.99Å; Y113-V130 PolarHBondContact N-O 2.72Å; Y113-C131 WeakPolarHBondContact O-CA 3.29Å; Y113-T132 PolarHBondContact O-N 3.31Å; Y113-K135 WeakPolarHBondContact O-CB 3.34Å; Y113-L139 HydrophobicContact CD1-CD1 3.91Å; Y113-L139 HydrophobicContact CD1-CD2 4.29Å; Y113-L139 HydrophobicContact CD1-CG 4.49Å; Y113-L139 HydrophobicContact CD2-CD1 3.71Å; Y113-L139 HydrophobicContact CE1-CD1 4.15Å; Y113-L139 HydrophobicContact CE1-CD2 4.07Å; Y113-L139 HydrophobicContact CE2-CD1 3.98Å; Y113-L139 HydrophobicContact CG-CD1 3.67Å |
| 114 | M | 79.1 | Confident | 77.5 | Confident | 13 Ų | 13 | 47 Ų | 47 | 6% | 0.064 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -151.6 | 129.9 | -172.3 | 62.7 | -168.9 | 86.2 | 0 | 0 | 111 | V89 R93 M96 G116 H117 T132 | V89-M114 HydrophobicContact CG1-CB 4.08Å; V89-M114 HydrophobicContact CG1-CG 4.01Å; V89-M114 HydrophobicContact CG1-SD 3.99Å; V89-M114 HydrophobicContact CG2-CB 4.28Å; R93-M114 HydrophobicContact CB-SD 3.9Å; R93-M114 HydrophobicContact CG-SD 4.49Å; M96-M114 HydrophobicContact CB-CE 4.44Å; M96-M114 HydrophobicContact SD-CE 4.2Å; M114-G116 PolarHBondContact O-N 3.32Å; M114-H117 HydrophobicContact CG-CB 4.25Å; M114-H117 PolarHBondContact N-O 3Å; M114-H117 WeakPolarHBondContact O-CB 3.24Å; M114-H117 PolarHBondContact O-N 3.08Å; M114-T132 HydrophobicContact CB-CG2 3.92Å |
| 115 | A | 69.2 | Low | 77.5 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 12% | 0.124 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | -117.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V89 K135 Q857 T861 | V89-A115 HydrophobicContact CG2-CB 4.34Å; A115-K135 WeakPolarHBondContact O-CE 3.41Å; A115-K135 PolarHBondContact O-NZ 3.12Å; A115-Q857 HydrophobicContact CB-CB 4.19Å; A115-Q857 HydrophobicContact CB-CG 4.09Å; A115-T861 WeakPolarHBondContact CA-OG1 3.48Å |
| 116 | G | 62.9 | Low | 77.9 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | M114 Q886 | M114-G116 PolarHBondContact O-N 3.32Å; G116-Q886 PolarHBondContact O-NE2 3.2Å |
| 117 | H | 70.6 | Confident | 78.4 | Confident | 81 Ų | 81 | 38.2 Ų | 38.2 | 38% | 0.375 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -76.6 | 141.4 | -172.8 | -171.4 | -87.9 | 0 | 0 | 0 | 112.5 | G112 M114 | G112-H117 PolarHBondContact O-ND1 3.38Å; M114-H117 HydrophobicContact CG-CB 4.25Å; M114-H117 PolarHBondContact N-O 3Å; M114-H117 WeakPolarHBondContact O-CB 3.24Å; M114-H117 PolarHBondContact O-N 3.08Å |
| 118 | S | 73.1 | Confident | 79.1 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 42% | 0.42 | 22% | 0.22 | S | C | . | . | trans | -149.9 | 143 | 167.4 | -66.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 119 | P | 71.2 | Confident | 79.4 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 10% | 0.104 | 22% | 0.217 | C | C | . | . | trans | -68.2 | 147.5 | -178.5 | 29.2 | -34.6 | 0 | 0 | 0 | 111.8 | Y113 G122 I126 | Y113-P119 VanDerWaalsContact CE1-CD 3.5Å; Y113-P119 HydrophobicContact CE1-CG 4.19Å; Y113-P119 HydrophobicContact CE2-CG 3.97Å; Y113-P119 VanDerWaalsContact CZ-CD 3.44Å; Y113-P119 WeakPolarHBondContact OH-CG 3.3Å; P119-G122 PolarHBondContact O-N 3.08Å; P119-I126 HydrophobicContact CB-CG2 4.5Å; P119-I126 HydrophobicContact CG-CD1 4.49Å; P119-I126 HydrophobicContact CG-CG2 4.34Å | ||
| 120 | P | 59.8 | Low | 79.8 | Confident | 103 Ų | 103 | 27.8 Ų | 27.8 | 67% | 0.669 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 140.2 | 173.8 | 26.5 | -34.2 | 0 | 0 | 0 | 110.7 | G122 | P120-G122 PolarHBondContact O-N 3.1Š|
| 121 | G | 64.2 | Low | 79.9 | Confident | 57 Ų | 57 | 27.2 Ų | 27.2 | 59% | 0.588 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | -2.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S124 A125 | G121-S124 PolarHBondContact O-OG 2.88Å; G121-A125 WeakPolarHBondContact O-CB 3.26Å |
| 122 | G | 75.8 | Confident | 80 | Confident | 25 Ų | 25 | 27.2 Ų | 27.2 | 26% | 0.258 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | -150.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y113 P119 P120 A125 | Y113-G122 PolarHBondContact OH-O 3Å; P119-G122 PolarHBondContact O-N 3.08Å; P120-G122 PolarHBondContact O-N 3.1Å; G122-A125 PolarHBondContact O-N 3.29Å |
| 123 | L | 82.4 | Confident | 80 | Confident | 21 Ų | 21 | 27.5 Ų | 27.5 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -29.5 | -169.3 | -175.6 | 56.5 | 0 | 0 | 0 | 113.4 | K81 F83 Y113 A125 I126 A129 L139 L143 | K81-L123 HydrophobicContact CD-CD1 4.15Å; K81-L123 HydrophobicContact CD-CG 4.26Å; K81-L123 WeakPolarHBondContact CE-O 3.4Å; K81-L123 PolarHBondContact NZ-O 3.23Å; F83-L123 HydrophobicContact CE1-CD1 4.02Å; F83-L123 HydrophobicContact CE1-CD2 4.3Å; F83-L123 HydrophobicContact CZ-CD1 4.44Å; F83-L123 HydrophobicContact CZ-CD2 4.06Å; Y113-L123 HydrophobicContact CE2-CD1 4.46Å; Y113-L123 WeakPolarHBondContact OH-CA 3.23Å; Y113-L123 PolarHBondContact OH-N 3.46Å; Y113-L123 VanDerWaalsContact OH-N 3.11Å; L123-A125 PolarHBondContact O-N 3.34Å; L123-I126 HydrophobicContact CD1-CD1 3.9Å; L123-I126 HydrophobicContact CD1-CG1 3.98Å; L123-I126 PolarHBondContact O-N 3.1Å; L123-A129 HydrophobicContact CD1-CB 4.29Å; L123-L139 HydrophobicContact CD2-CD2 4.36Å; L123-L143 HydrophobicContact CD2-CD1 4.08Å; L123-L143 HydrophobicContact CD2-CD2 3.73Å; L123-L143 HydrophobicContact CD2-CG 4.02Å |
| 124 | S | 78.6 | Confident | 79.8 | Confident | 83 Ų | 83 | 29.8 Ų | 29.8 | 58% | 0.58 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -30.6 | 171.1 | 43.2 | 0 | 0 | 0 | 0 | 112 | G121 I126 | G121-S124 PolarHBondContact O-OG 2.88Å; S124-I126 VanDerWaalsContact C-N 3.34Å; S124-I126 PolarHBondContact O-N 3.14Å |
| 125 | A | 79.5 | Confident | 80 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 2.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | R109 G121 G122 L123 | R109-A125 PolarHBondContact NE-O 3.2Å; R109-A125 PolarHBondContact NH1-O 3.03Å; R109-A125 PolarHBondContact NH2-O 2.9Å; R109-A125 VanDerWaalsContact NH2-O 3.08Å; G121-A125 WeakPolarHBondContact O-CB 3.26Å; G122-A125 PolarHBondContact O-N 3.29Å; L123-A125 PolarHBondContact O-N 3.34Å |
| 126 | I | 87.3 | Confident | 80.9 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | trans | -135.3 | 163.4 | -176.2 | 62.6 | 166.4 | 0 | 0 | 0 | 113.9 | K81 Y113 P119 L123 S124 A129 | K81-I126 PolarHBondContact NZ-O 2.99Å; Y113-I126 HydrophobicContact CE2-CD1 3.6Å; P119-I126 HydrophobicContact CB-CG2 4.5Å; P119-I126 HydrophobicContact CG-CD1 4.49Å; P119-I126 HydrophobicContact CG-CG2 4.34Å; L123-I126 HydrophobicContact CD1-CD1 3.9Å; L123-I126 HydrophobicContact CD1-CG1 3.98Å; L123-I126 PolarHBondContact O-N 3.1Å; S124-I126 VanDerWaalsContact C-N 3.34Å; S124-I126 PolarHBondContact O-N 3.14Å; I126-A129 HydrophobicContact CD1-CB 3.87Å | ||
| 127 | N | 90.6 | Very high | 82 | Confident | 45 Ų | 45 | 29.7 Ų | 29.7 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -104.8 | -39.6 | 174.2 | -55.8 | 89.7 | 0 | 0 | 0 | 111.7 | K81 A82 I108 R109 | K81-N127 VanDerWaalsContact CA-O 3.26Å; K81-N127 WeakPolarHBondContact CA-O 3.39Å; A82-N127 PolarHBondContact N-O 3.13Å; I108-N127 HydrophobicContact CG2-CB 3.95Å; R109-N127 PolarHBondContact N-OD1 3.35Å; R109-N127 PolarHBondContact O-N 3.47Å |
| 128 | V | 94.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 119.7 | 179.8 | -174 | 0 | 0 | 0 | 0 | 110.5 | I75 A82 I84 F103 I108 R109 V110 G111 V130 | I75-V128 HydrophobicContact CD1-CG2 3.52Å; A82-V128 WeakPolarHBondContact O-CA 3.43Å; I84-V128 HydrophobicContact CD1-CG1 3.88Å; I84-V128 HydrophobicContact CG1-CG1 4.29Å; F103-V128 HydrophobicContact CD2-CG2 4.37Å; F103-V128 HydrophobicContact CE2-CG2 4.46Å; I108-V128 HydrophobicContact CG2-CG2 3.8Å; R109-V128 PolarHBondContact O-N 2.91Å; V110-V128 WeakPolarHBondContact CA-O 3.5Å; V110-V128 HydrophobicContact CB-CB 4.31Å; V110-V128 HydrophobicContact CG1-CB 4.13Å; V110-V128 HydrophobicContact CG1-CG1 4.25Å; V110-V128 HydrophobicContact CG2-CB 4.01Å; V110-V128 HydrophobicContact CG2-CG2 4.2Å; G111-V128 PolarHBondContact N-O 2.93Å; V128-V130 HydrophobicContact CG1-CG2 4.28Å |
| 129 | A | 94.2 | Very high | 82.9 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 115.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A82 F83 I84 G111 Y113 L123 I126 | A82-A129 PolarHBondContact O-N 3.48Å; F83-A129 WeakPolarHBondContact CA-O 3.44Å; F83-A129 HydrophobicContact CD1-CB 3.66Å; F83-A129 HydrophobicContact CE1-CB 3.82Å; F83-A129 HydrophobicContact CG-CB 4.29Å; I84-A129 PolarHBondContact N-O 3.22Å; G111-A129 WeakPolarHBondContact O-CA 3.38Å; Y113-A129 HydrophobicContact CD2-CB 4.12Å; Y113-A129 HydrophobicContact CE2-CB 3.99Å; L123-A129 HydrophobicContact CD1-CB 4.29Å; I126-A129 HydrophobicContact CD1-CB 3.87Å |
| 130 | V | 94.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 111.3 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | L86 S92 K95 M96 L99 V110 G111 G112 Y113 V128 | L86-V130 HydrophobicContact CD1-CG1 3.58Å; S92-V130 WeakPolarHBondContact O-CG1 3.42Å; K95-V130 HydrophobicContact CB-CG1 4.47Å; M96-V130 HydrophobicContact CB-CB 4.2Å; M96-V130 HydrophobicContact CB-CG1 4.27Å; M96-V130 HydrophobicContact CB-CG2 4.39Å; L99-V130 HydrophobicContact CD1-CG2 4.08Å; V110-V130 HydrophobicContact CG1-CG2 3.83Å; G111-V130 PolarHBondContact O-N 2.91Å; G112-V130 CarbonylContact C-O 3.51Å; G112-V130 VanDerWaalsContact CA-O 3.28Å; G112-V130 WeakPolarHBondContact CA-O 3.22Å; Y113-V130 PolarHBondContact N-O 2.72Å; V128-V130 HydrophobicContact CG1-CG2 4.28Å |
| 131 | C | 92.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.7 | -160.9 | -64.7 | 0 | 0 | 0 | 0 | 112.7 | I84 L86 S92 Y113 A136 | I84-C131 PolarHBondContact O-N 3.28Å; L86-C131 PolarHBondContact N-O 2.92Å; S92-C131 PolarHBondContact OG-O 3.21Å; Y113-C131 WeakPolarHBondContact O-CA 3.29Å; C131-A136 HydrophobicContact CB-CB 3.81Å |
| 132 | T | 88.7 | Confident | 85 | Confident | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 163.2 | 155.3 | 75.5 | 0 | 0 | 0 | 0 | 110.6 | L86 V89 Y113 M114 E134 K135 A136 | L86-T132 WeakPolarHBondContact O-CA 3.26Å; V89-T132 HydrophobicContact CG2-CG2 3.9Å; Y113-T132 PolarHBondContact O-N 3.31Å; M114-T132 HydrophobicContact CB-CG2 3.92Å; T132-E134 VanDerWaalsContact C-N 3.27Å; T132-E134 VanDerWaalsContact CB-OE2 3.32Å; T132-E134 WeakPolarHBondContact CB-OE2 3.37Å; T132-E134 PolarHBondContact O-N 3.4Å; T132-E134 PolarHBondContact OG1-OE2 3.33Å; T132-K135 PolarHBondContact O-N 2.9Å; T132-K135 VanDerWaalsContact O-N 3.13Å; T132-A136 WeakPolarHBondContact O-CB 3.25Å; T132-A136 PolarHBondContact O-N 3.12Å |
| 133 | I | 86.3 | Confident | 85.2 | Confident | 5 Ų | 5 | 19.9 Ų | 19.9 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -50.9 | -45.1 | 178.8 | -57.2 | 173.2 | 0 | 0 | 0 | 111.6 | I85 N137 L171 L172 | I85-I133 HydrophobicContact CG2-CG1 4Å; I133-N137 WeakPolarHBondContact O-CB 3.49Å; I133-N137 PolarHBondContact O-N 3.01Å; I133-L171 HydrophobicContact CG2-CB 3.88Å; I133-L172 HydrophobicContact CG2-CB 4.04Å |
| 134 | E | 80.9 | Confident | 84.9 | Confident | 55 Ų | 55 | 20 Ų | 20 | 26% | 0.257 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -65 | -44.2 | -179.8 | -56.1 | 72.5 | -159.2 | 0 | 0 | 112 | T132 N137 S138 R168 L171 | T132-E134 VanDerWaalsContact C-N 3.27Å; T132-E134 VanDerWaalsContact CB-OE2 3.32Å; T132-E134 WeakPolarHBondContact CB-OE2 3.37Å; T132-E134 PolarHBondContact O-N 3.4Å; T132-E134 PolarHBondContact OG1-OE2 3.33Å; E134-N137 PolarHBondContact O-N 3.29Å; E134-S138 VanDerWaalsContact O-CB 3.3Å; E134-S138 WeakPolarHBondContact O-CB 3.19Å; E134-S138 PolarHBondContact O-N 2.8Å; E134-R168 VanDerWaalsContact CD-NH2 3.33Å; E134-R168 IonicContact OE1-CZ 3.59Å; E134-R168 IonicContact OE1-NE 3.43Å; E134-R168 PolarHBondContact OE1-NE 2.59Å; E134-R168 IonicContact OE1-NH2 3.61Å; E134-R168 PolarHBondContact OE1-NH2 3.43Å; E134-R168 IonicContact OE2-NH2 2.94Å; E134-R168 PolarHBondContact OE2-NH2 3.49Å; E134-R168 VanDerWaalsContact OE2-NH2 3.12Å; E134-L171 HydrophobicContact CG-CD1 4.2Å |
| 135 | K | 83.6 | Confident | 84.5 | Confident | 35 Ų | 35 | 17.7 Ų | 17.7 | 15% | 0.152 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -75.3 | -35.4 | -177.9 | -72.4 | -58.8 | -170.4 | -178.2 | 0 | 111.9 | Y113 A115 T132 N137 S138 L139 | Y113-K135 WeakPolarHBondContact O-CB 3.34Å; A115-K135 WeakPolarHBondContact O-CE 3.41Å; A115-K135 PolarHBondContact O-NZ 3.12Å; T132-K135 PolarHBondContact O-N 2.9Å; T132-K135 VanDerWaalsContact O-N 3.13Å; K135-N137 VanDerWaalsContact C-N 3.34Å; K135-S138 PolarHBondContact O-N 2.96Å; K135-L139 VanDerWaalsContact O-CB 3.3Å; K135-L139 WeakPolarHBondContact O-CB 3.48Å; K135-L139 WeakPolarHBondContact O-CG 3.49Å; K135-L139 PolarHBondContact O-N 3.15Å |
| 136 | A | 88.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | I85 C131 T132 S138 L139 V140 L175 | I85-A136 HydrophobicContact CD1-CB 3.56Å; I85-A136 HydrophobicContact CG1-CB 3.68Å; I85-A136 HydrophobicContact CG2-CB 4.19Å; C131-A136 HydrophobicContact CB-CB 3.81Å; T132-A136 WeakPolarHBondContact O-CB 3.25Å; T132-A136 PolarHBondContact O-N 3.12Å; A136-S138 PolarHBondContact O-N 3.39Å; A136-L139 PolarHBondContact O-N 3.08Å; A136-V140 WeakPolarHBondContact O-CB 3.44Å; A136-V140 WeakPolarHBondContact O-CG2 3.4Å; A136-V140 PolarHBondContact O-N 2.85Å; A136-L175 HydrophobicContact CB-CD1 3.59Å |
| 137 | N | 85.1 | Confident | 83.3 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | 178.4 | -169.7 | 68.7 | 0 | 0 | 0 | 112.5 | I133 E134 K135 V140 N141 L175 K178 R550 | I133-N137 WeakPolarHBondContact O-CB 3.49Å; I133-N137 PolarHBondContact O-N 3.01Å; E134-N137 PolarHBondContact O-N 3.29Å; K135-N137 VanDerWaalsContact C-N 3.34Å; N137-V140 PolarHBondContact O-N 2.72Å; N137-N141 PolarHBondContact O-N 3.44Å; N137-N141 PolarHBondContact O-OD1 3.21Å; N137-L175 HydrophobicContact CB-CD1 4.15Å; N137-K178 PolarHBondContact OD1-NZ 3.34Å; N137-R550 PolarHBondContact ND2-NH2 3.11Å |
| 138 | S | 78.8 | Confident | 82.8 | Confident | 20 Ų | 20 | 26.8 Ų | 26.8 | 14% | 0.14 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.1 | -37.9 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | E134 K135 A136 R142 | E134-S138 VanDerWaalsContact O-CB 3.3Å; E134-S138 WeakPolarHBondContact O-CB 3.19Å; E134-S138 PolarHBondContact O-N 2.8Å; K135-S138 PolarHBondContact O-N 2.96Å; A136-S138 PolarHBondContact O-N 3.39Å; S138-R142 PolarHBondContact O-N 2.94Å |
| 139 | L | 83.8 | Confident | 82.3 | Confident | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.3 | -40.1 | 174.1 | -73 | 173.6 | 0 | 0 | 0 | 112.2 | F83 Y113 L123 K135 A136 N141 R142 L143 | F83-L139 HydrophobicContact CE2-CB 3.78Å; F83-L139 HydrophobicContact CE2-CD1 4.23Å; F83-L139 HydrophobicContact CZ-CB 3.9Å; F83-L139 HydrophobicContact CZ-CD1 4.13Å; Y113-L139 HydrophobicContact CD1-CD1 3.91Å; Y113-L139 HydrophobicContact CD1-CD2 4.29Å; Y113-L139 HydrophobicContact CD1-CG 4.49Å; Y113-L139 HydrophobicContact CD2-CD1 3.71Å; Y113-L139 HydrophobicContact CE1-CD1 4.15Å; Y113-L139 HydrophobicContact CE1-CD2 4.07Å; Y113-L139 HydrophobicContact CE2-CD1 3.98Å; Y113-L139 HydrophobicContact CG-CD1 3.67Å; L123-L139 HydrophobicContact CD2-CD2 4.36Å; K135-L139 VanDerWaalsContact O-CB 3.3Å; K135-L139 WeakPolarHBondContact O-CB 3.48Å; K135-L139 WeakPolarHBondContact O-CG 3.49Å; K135-L139 PolarHBondContact O-N 3.15Å; A136-L139 PolarHBondContact O-N 3.08Å; L139-N141 VanDerWaalsContact C-N 3.35Å; L139-R142 PolarHBondContact O-N 3.22Å; L139-L143 WeakPolarHBondContact O-CG 3.15Å; L139-L143 PolarHBondContact O-N 3.08Å |
| 140 | V | 84.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 173.7 | 169 | 0 | 0 | 0 | 0 | 110.7 | F83 A136 N137 R142 L143 I144 L149 L179 | F83-V140 HydrophobicContact CD2-CG2 4.47Å; F83-V140 HydrophobicContact CE2-CG2 4.09Å; A136-V140 WeakPolarHBondContact O-CB 3.44Å; A136-V140 WeakPolarHBondContact O-CG2 3.4Å; A136-V140 PolarHBondContact O-N 2.85Å; N137-V140 PolarHBondContact O-N 2.72Å; V140-R142 VanDerWaalsContact C-N 3.3Å; V140-R142 PolarHBondContact O-N 2.99Å; V140-L143 PolarHBondContact O-N 3.25Å; V140-I144 HydrophobicContact CG1-CD1 3.91Å; V140-I144 WeakPolarHBondContact O-CB 3.48Å; V140-I144 VanDerWaalsContact O-CG1 3.3Å; V140-I144 WeakPolarHBondContact O-CG1 3.5Å; V140-I144 PolarHBondContact O-N 2.91Å; V140-L149 HydrophobicContact CG1-CD1 4.39Å; V140-L179 HydrophobicContact CG1-CD2 4.38Å |
| 141 | N | 78.1 | Confident | 81.3 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 171.9 | -75.3 | 12.3 | 0 | 0 | 0 | 111.6 | N137 L139 I144 E145 K178 L716 | N137-N141 PolarHBondContact O-N 3.44Å; N137-N141 PolarHBondContact O-OD1 3.21Å; L139-N141 VanDerWaalsContact C-N 3.35Å; N141-I144 WeakPolarHBondContact O-CB 3.48Å; N141-I144 PolarHBondContact O-N 3.4Å; N141-E145 WeakPolarHBondContact O-CG 3.47Å; N141-E145 PolarHBondContact O-N 3.18Å; N141-K178 PolarHBondContact OD1-NZ 2.84Å; N141-L716 VanDerWaalsContact ND2-CD1 3.26Å; N141-L716 WeakPolarHBondContact ND2-CD1 3.27Å; N141-L716 PolarHBondContact ND2-O 3.15Å |
| 142 | R | 77.1 | Confident | 81.2 | Confident | 103 Ų | 103 | 34 Ų | 34 | 39% | 0.389 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.6 | -43.1 | 176.3 | -175.9 | 177 | -63.6 | 158 | 0.4 | 113 | S138 L139 V140 I144 E145 E146 | S138-R142 PolarHBondContact O-N 2.94Å; L139-R142 PolarHBondContact O-N 3.22Å; V140-R142 VanDerWaalsContact C-N 3.3Å; V140-R142 PolarHBondContact O-N 2.99Å; R142-I144 PolarHBondContact O-N 2.93Å; R142-E145 CarbonylContact O-C 3.56Å; R142-E145 PolarHBondContact O-N 2.9Å; R142-E145 VanDerWaalsContact O-N 3.14Å; R142-E146 WeakPolarHBondContact CD-OE1 3.23Å; R142-E146 HydrophobicContact CG-CG 4.09Å; R142-E146 WeakPolarHBondContact CG-OE1 3.2Å; R142-E146 WeakPolarHBondContact O-CB 3.48Å; R142-E146 WeakPolarHBondContact O-CG 3.19Å; R142-E146 PolarHBondContact O-N 3.46Å |
| 143 | L | 80.8 | Confident | 81.3 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.1 | -29.9 | 175.3 | -70.7 | -179.2 | 0 | 0 | 0 | 112.2 | F83 L123 L139 V140 E147 R148 L149 | F83-L143 HydrophobicContact CZ-CD1 4.04Å; L123-L143 HydrophobicContact CD2-CD1 4.08Å; L123-L143 HydrophobicContact CD2-CD2 3.73Å; L123-L143 HydrophobicContact CD2-CG 4.02Å; L139-L143 WeakPolarHBondContact O-CG 3.15Å; L139-L143 PolarHBondContact O-N 3.08Å; V140-L143 PolarHBondContact O-N 3.25Å; L143-E147 CarbonylContact O-C 3.57Å; L143-E147 PolarHBondContact O-N 2.84Å; L143-E147 VanDerWaalsContact O-N 3.14Å; L143-R148 HydrophobicContact CD2-CB 3.98Å; L143-R148 PolarHBondContact O-N 3.19Å; L143-L149 HydrophobicContact CB-CB 4.32Å; L143-L149 HydrophobicContact CB-CD1 3.98Å; L143-L149 HydrophobicContact CD1-CD1 4.19Å; L143-L149 PolarHBondContact O-N 2.82Å |
| 144 | I | 75.4 | Confident | 81.7 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 11% | 0.113 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.7 | -43.6 | 170.2 | -73.6 | 166.5 | 0 | 0 | 0 | 111.2 | V140 N141 R142 E146 E147 L149 K178 Y558 | V140-I144 HydrophobicContact CG1-CD1 3.91Å; V140-I144 WeakPolarHBondContact O-CB 3.48Å; V140-I144 VanDerWaalsContact O-CG1 3.3Å; V140-I144 WeakPolarHBondContact O-CG1 3.5Å; V140-I144 PolarHBondContact O-N 2.91Å; N141-I144 WeakPolarHBondContact O-CB 3.48Å; N141-I144 PolarHBondContact O-N 3.4Å; R142-I144 PolarHBondContact O-N 2.93Å; I144-E146 VanDerWaalsContact C-N 3.32Å; I144-E147 PolarHBondContact O-N 3.48Å; I144-L149 HydrophobicContact CD1-CD2 4.42Å; I144-L149 HydrophobicContact CG1-CD2 3.91Å; I144-K178 HydrophobicContact CD1-CB 4.44Å; I144-K178 HydrophobicContact CD1-CD 4.07Å; I144-Y558 HydrophobicContact CD1-CD2 4.42Å; I144-Y558 HydrophobicContact CG1-CD2 4.38Å; I144-Y558 HydrophobicContact CG1-CE2 4.48Å; I144-Y558 HydrophobicContact CG2-CD2 3.63Å; I144-Y558 HydrophobicContact CG2-CE2 4.27Å |
| 145 | E | 69.3 | Low | 82.4 | Confident | 36 Ų | 36 | 31.1 Ų | 31.1 | 17% | 0.168 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.4 | -26.5 | 177.4 | -74 | 176.7 | -158.8 | 0 | 0 | 113.6 | N141 R142 I561 S717 R872 | N141-E145 WeakPolarHBondContact O-CG 3.47Å; N141-E145 PolarHBondContact O-N 3.18Å; R142-E145 CarbonylContact O-C 3.56Å; R142-E145 PolarHBondContact O-N 2.9Å; R142-E145 VanDerWaalsContact O-N 3.14Å; E145-I561 HydrophobicContact CB-CD1 4.45Å; E145-I561 HydrophobicContact CG-CD1 4.02Å; E145-S717 WeakPolarHBondContact OE1-CA 3.42Å; E145-S717 VanDerWaalsContact OE1-CB 3.31Å; E145-S717 WeakPolarHBondContact OE1-CB 3.5Å; E145-S717 PolarHBondContact OE1-OG 3.37Å; E145-S717 PolarHBondContact OE2-OG 3.02Å; E145-R872 IonicContact OE2-CZ 3.13Å; E145-R872 IonicContact OE2-NE 2.72Å; E145-R872 IonicContact OE2-NH2 3.19Å; E145-R872 PolarHBondContact OE2-NH2 3.21Å |
| 146 | E | 72.1 | Confident | 83 | Confident | 83 Ų | 83 | 29.5 Ų | 29.5 | 39% | 0.388 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 8.4 | 178.9 | -65.8 | 177.7 | -164.4 | 0 | 0 | 113.2 | R142 I144 R148 | R142-E146 WeakPolarHBondContact CD-OE1 3.23Å; R142-E146 HydrophobicContact CG-CG 4.09Å; R142-E146 WeakPolarHBondContact CG-OE1 3.2Å; R142-E146 WeakPolarHBondContact O-CB 3.48Å; R142-E146 WeakPolarHBondContact O-CG 3.19Å; R142-E146 PolarHBondContact O-N 3.46Å; I144-E146 VanDerWaalsContact C-N 3.32Å; E146-R148 VanDerWaalsContact O-CG 3.29Å; E146-R148 WeakPolarHBondContact O-CG 3.36Å; E146-R148 PolarHBondContact O-N 3.46Å; E146-R148 IonicContact OE2-CZ 2.65Å; E146-R148 IonicContact OE2-NH1 2.72Å; E146-R148 PolarHBondContact OE2-NH1 3.47Å |
| 147 | E | 69.4 | Low | 83.3 | Confident | 114 Ų | 114 | 29.5 Ų | 29.5 | 53% | 0.533 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 65.6 | -13.4 | -177.9 | -56.3 | 173.8 | -124 | 0 | 0 | 116.9 | L143 I144 L149 I565 | L143-E147 CarbonylContact O-C 3.57Å; L143-E147 PolarHBondContact O-N 2.84Å; L143-E147 VanDerWaalsContact O-N 3.14Å; I144-E147 PolarHBondContact O-N 3.48Å; E147-L149 PolarHBondContact O-N 3.02Å; E147-I565 HydrophobicContact CG-CD1 3.36Å; E147-I565 HydrophobicContact CG-CG1 4.28Å; E147-I565 WeakPolarHBondContact OE1-CD1 3.31Å; E147-I565 WeakPolarHBondContact OE1-CG1 3.46Å; E147-I565 WeakPolarHBondContact OE2-CG2 3.44Å |
| 148 | R | 80.8 | Confident | 83.6 | Confident | 68 Ų | 68 | 30.7 Ų | 30.7 | 26% | 0.257 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -79.4 | 27.6 | -169.9 | -67.7 | 159.6 | 65.3 | -136.1 | -10 | 115.7 | L143 E146 D150 E151 | L143-R148 HydrophobicContact CD2-CB 3.98Å; L143-R148 PolarHBondContact O-N 3.19Å; E146-R148 VanDerWaalsContact O-CG 3.29Å; E146-R148 WeakPolarHBondContact O-CG 3.36Å; E146-R148 PolarHBondContact O-N 3.46Å; E146-R148 IonicContact OE2-CZ 2.65Å; E146-R148 IonicContact OE2-NH1 2.72Å; E146-R148 PolarHBondContact OE2-NH1 3.47Å; R148-D150 VanDerWaalsContact CA-OD1 3.31Å; R148-D150 WeakPolarHBondContact CA-OD1 3.34Å; R148-D150 PolarHBondContact O-N 2.65Å; R148-E151 HydrophobicContact CB-CG 4.19Å; R148-E151 IonicContact CZ-OE1 3.15Å; R148-E151 IonicContact CZ-OE2 2.85Å; R148-E151 IonicContact NE-OE1 2.87Å; R148-E151 PolarHBondContact NE-OE1 2.91Å; R148-E151 IonicContact NE-OE2 2.72Å; R148-E151 IonicContact NH2-OE1 2.73Å; R148-E151 PolarHBondContact NH2-OE1 3.04Å; R148-E151 IonicContact NH2-OE2 2.64Å; R148-E151 PolarHBondContact NH2-OE2 3.43Å; R148-E151 WeakPolarHBondContact O-CB 3.49Å; R148-E151 PolarHBondContact O-N 2.87Å |
| 149 | L | 83 | Confident | 84 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -71.9 | -19.1 | 179.4 | -169.6 | 64.4 | 0 | 0 | 0 | 112.7 | V140 L143 I144 E147 E151 L152 L179 Y182 I220 | V140-L149 HydrophobicContact CG1-CD1 4.39Å; L143-L149 HydrophobicContact CB-CB 4.32Å; L143-L149 HydrophobicContact CB-CD1 3.98Å; L143-L149 HydrophobicContact CD1-CD1 4.19Å; L143-L149 PolarHBondContact O-N 2.82Å; I144-L149 HydrophobicContact CD1-CD2 4.42Å; I144-L149 HydrophobicContact CG1-CD2 3.91Å; E147-L149 PolarHBondContact O-N 3.02Å; L149-E151 VanDerWaalsContact C-N 3.25Å; L149-E151 PolarHBondContact O-N 3.24Å; L149-L152 HydrophobicContact CD1-CD2 4.06Å; L149-L152 WeakPolarHBondContact O-CB 3.41Å; L149-L152 PolarHBondContact O-N 3.45Å; L149-L179 HydrophobicContact CD1-CD2 4.28Å; L149-Y182 HydrophobicContact CB-CE2 4.46Å; L149-Y182 HydrophobicContact CD2-CD1 4.05Å; L149-Y182 HydrophobicContact CD2-CD2 3.78Å; L149-Y182 HydrophobicContact CD2-CE1 4.29Å; L149-Y182 HydrophobicContact CD2-CE2 4.03Å; L149-Y182 HydrophobicContact CD2-CG 3.78Å; L149-Y182 HydrophobicContact CG-CE1 4.46Å; L149-I220 HydrophobicContact CD1-CD1 4.4Å; L149-I220 HydrophobicContact CD2-CD1 4.3Å; L149-I220 HydrophobicContact CG-CD1 3.98Å |
| 150 | D | 82.2 | Confident | 84.4 | Confident | 100 Ų | 100 | 30.9 Ų | 30.9 | 54% | 0.535 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -64.3 | -23.9 | 169.7 | 66.1 | -38.7 | 0 | 0 | 0 | 113.4 | L80 R148 L152 | L80-D150 WeakPolarHBondContact CD2-O 3.36Å; R148-D150 VanDerWaalsContact CA-OD1 3.31Å; R148-D150 WeakPolarHBondContact CA-OD1 3.34Å; R148-D150 PolarHBondContact O-N 2.65Å; D150-L152 PolarHBondContact O-N 3.26Å; D150-L152 VanDerWaalsContact O-N 3.07Å |
| 151 | E | 86.8 | Confident | 84.5 | Confident | 48 Ų | 48 | 31.2 Ų | 31.2 | 22% | 0.224 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -62.5 | -11 | 171.9 | -65.6 | -173.2 | -172.3 | 0 | 0 | 113.4 | K81 R148 L149 | K81-E151 VanDerWaalsContact CB-O 3.31Å; K81-E151 WeakPolarHBondContact CB-O 3.29Å; K81-E151 HydrophobicContact CD-CB 4.25Å; K81-E151 WeakPolarHBondContact CE-OE2 3.46Å; K81-E151 WeakPolarHBondContact CG-O 3.46Å; K81-E151 PolarHBondContact N-O 2.86Å; K81-E151 IonicContact NZ-OE2 3.44Å; R148-E151 HydrophobicContact CB-CG 4.19Å; R148-E151 IonicContact CZ-OE1 3.15Å; R148-E151 IonicContact CZ-OE2 2.85Å; R148-E151 IonicContact NE-OE1 2.87Å; R148-E151 PolarHBondContact NE-OE1 2.91Å; R148-E151 IonicContact NE-OE2 2.72Å; R148-E151 IonicContact NH2-OE1 2.73Å; R148-E151 PolarHBondContact NH2-OE1 3.04Å; R148-E151 IonicContact NH2-OE2 2.64Å; R148-E151 PolarHBondContact NH2-OE2 3.43Å; R148-E151 WeakPolarHBondContact O-CB 3.49Å; R148-E151 PolarHBondContact O-N 2.87Å; L149-E151 VanDerWaalsContact C-N 3.25Å; L149-E151 PolarHBondContact O-N 3.24Å |
| 152 | L | 90.5 | Very high | 84.8 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 103 | -171.1 | -175.9 | 60.3 | 0 | 0 | 0 | 112.7 | F83 L149 D150 V155 L179 I220 | F83-L152 HydrophobicContact CB-CD1 4.15Å; F83-L152 HydrophobicContact CD1-CD1 3.4Å; F83-L152 VanDerWaalsContact CD1-CD1 3.4Å; F83-L152 HydrophobicContact CD2-CD1 4.48Å; F83-L152 HydrophobicContact CE1-CD1 3.85Å; F83-L152 HydrophobicContact CG-CD1 3.77Å; L149-L152 HydrophobicContact CD1-CD2 4.06Å; L149-L152 WeakPolarHBondContact O-CB 3.41Å; L149-L152 PolarHBondContact O-N 3.45Å; D150-L152 PolarHBondContact O-N 3.26Å; D150-L152 VanDerWaalsContact O-N 3.07Å; L152-V155 HydrophobicContact CD1-CG2 4.19Å; L152-V155 HydrophobicContact CD2-CG2 3.76Å; L152-V155 HydrophobicContact CG-CG2 4.07Å; L152-L179 HydrophobicContact CD2-CD2 4.24Å; L152-I220 HydrophobicContact CD2-CG2 4.39Å; L152-I220 HydrophobicContact CG-CG2 4.16Å; L152-I220 WeakPolarHBondContact O-CG1 3.42Å |
| 153 | G | 89.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -24 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R74 K81 Q221 | R74-G153 PolarHBondContact NE-O 2.79Å; K81-G153 PolarHBondContact O-N 3.17Å; G153-Q221 PolarHBondContact O-N 3.44Å |
| 154 | I | 94.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 144.6 | -178.5 | -177 | 166.3 | 0 | 0 | 0 | 113 | I70 V71 R74 A82 F83 V156 Q221 V223 | I70-I154 HydrophobicContact CB-CD1 4.47Å; I70-I154 HydrophobicContact CG2-CD1 3.67Å; V71-I154 HydrophobicContact CG2-CD1 4.02Å; V71-I154 HydrophobicContact CG2-CG2 4.32Å; R74-I154 HydrophobicContact CB-CB 4.43Å; R74-I154 HydrophobicContact CB-CG2 4.06Å; R74-I154 HydrophobicContact CG-CB 4.04Å; R74-I154 HydrophobicContact CG-CG2 3.96Å; A82-I154 WeakPolarHBondContact CA-O 3.17Å; A82-I154 HydrophobicContact CB-CG2 3.49Å; A82-I154 VanDerWaalsContact CB-CG2 3.49Å; F83-I154 PolarHBondContact N-O 3.21Å; I154-V156 HydrophobicContact CD1-CG2 4.42Å; I154-V156 HydrophobicContact CG1-CG2 4.44Å; I154-Q221 CarbonylContact C-O 3.6Å; I154-Q221 WeakPolarHBondContact CA-O 3.15Å; I154-Q221 HydrophobicContact CB-CB 4.38Å; I154-Q221 HydrophobicContact CG1-CB 4.23Å; I154-V223 HydrophobicContact CD1-CG2 3.94Å; I154-V223 HydrophobicContact CG1-CG2 4.45Å |
| 155 | V | 96.3 | Very high | 85.2 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 117.1 | 171.1 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | F83 I85 L152 V157 L179 I220 Q221 I222 V223 | F83-V155 HydrophobicContact CB-CG1 4.35Å; F83-V155 HydrophobicContact CB-CG2 4.27Å; F83-V155 WeakPolarHBondContact O-CA 3.28Å; I85-V155 HydrophobicContact CD1-CG1 3.51Å; I85-V155 HydrophobicContact CG1-CG1 4.09Å; L152-V155 HydrophobicContact CD1-CG2 4.19Å; L152-V155 HydrophobicContact CD2-CG2 3.76Å; L152-V155 HydrophobicContact CG-CG2 4.07Å; V155-V157 HydrophobicContact CG1-CG2 4.49Å; V155-L179 HydrophobicContact CB-CD1 4.12Å; V155-L179 HydrophobicContact CG1-CD1 4.29Å; V155-L179 HydrophobicContact CG2-CD1 3.65Å; V155-I220 HydrophobicContact CG2-CG2 4.05Å; V155-Q221 PolarHBondContact N-O 3.02Å; V155-I222 WeakPolarHBondContact O-CA 3.46Å; V155-V223 PolarHBondContact O-N 3.01Å |
| 156 | V | 96.9 | Very high | 85.1 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.4 | 171.5 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | A67 V71 F83 I84 I85 I154 V223 M225 | A67-V156 HydrophobicContact CB-CG1 3.77Å; A67-V156 HydrophobicContact CB-CG2 4.19Å; V71-V156 HydrophobicContact CG2-CG2 3.34Å; F83-V156 PolarHBondContact O-N 3.3Å; I84-V156 HydrophobicContact CG1-CB 4.3Å; I84-V156 HydrophobicContact CG1-CG2 4.46Å; I84-V156 HydrophobicContact CG2-CB 4.26Å; I84-V156 HydrophobicContact CG2-CG1 4.32Å; I85-V156 WeakPolarHBondContact CB-O 3.26Å; I85-V156 PolarHBondContact N-O 3.17Å; I154-V156 HydrophobicContact CD1-CG2 4.42Å; I154-V156 HydrophobicContact CG1-CG2 4.44Å; V156-V223 CarbonylContact C-O 3.54Å; V156-V223 VanDerWaalsContact CA-O 3.3Å; V156-V223 WeakPolarHBondContact CA-O 3.31Å; V156-V223 HydrophobicContact CG2-CB 4.28Å; V156-M225 HydrophobicContact CG1-CE 3.7Å |
| 157 | V | 95.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 113.8 | 173.2 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | I85 V155 L160 L172 L176 V223 M225 | I85-V157 HydrophobicContact CB-CG2 4.5Å; I85-V157 HydrophobicContact CD1-CG2 4.28Å; V155-V157 HydrophobicContact CG1-CG2 4.49Å; V157-L160 HydrophobicContact CB-CD1 4.3Å; V157-L160 HydrophobicContact CG1-CB 4.33Å; V157-L160 HydrophobicContact CG1-CD1 3.84Å; V157-L172 HydrophobicContact CG1-CD1 3.88Å; V157-L172 HydrophobicContact CG1-CD2 3.84Å; V157-L172 HydrophobicContact CG1-CG 4.36Å; V157-L172 HydrophobicContact CG2-CD1 4.08Å; V157-L176 HydrophobicContact CG2-CD2 4.1Å; V157-V223 PolarHBondContact N-O 3.05Å; V157-M225 PolarHBondContact O-N 3.36Å |
| 158 | D | 91 | Very high | 85.2 | Confident | 26 Ų | 26 | 34.7 Ų | 34.7 | 14% | 0.139 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 146.4 | 169.5 | -155.2 | -3.7 | 0 | 0 | 0 | 111.4 | I85 L86 L160 M225 | I85-D158 PolarHBondContact O-N 2.97Å; L86-D158 HydrophobicContact CG-CB 4.4Å; D158-L160 PolarHBondContact O-N 2.9Å; D158-M225 HydrophobicContact CB-CE 3.71Å; D158-M225 HydrophobicContact CB-CG 4.42Å; D158-M225 WeakPolarHBondContact OD1-CG 3.36Å |
| 159 | E | 88.1 | Confident | 85.1 | Confident | 30 Ų | 30 | 31.4 Ų | 31.4 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | 52.1 | -176.4 | -55.9 | -68.4 | -133 | 0 | 0 | 114.2 | K63 H161 L162 M225 | K63-E159 IonicContact NZ-OE2 3.65Å; K63-E159 PolarHBondContact NZ-OE2 2.84Å; E159-H161 PolarHBondContact O-N 2.96Å; E159-H161 IonicContact OE1-CE1 3.88Å; E159-H161 IonicContact OE2-CE1 2.61Å; E159-H161 PolarHBondContact OE2-CE1 3.14Å; E159-H161 IonicContact OE2-ND1 2.65Å; E159-L162 HydrophobicContact CB-CD1 3.89Å; E159-L162 HydrophobicContact CB-CG 4.29Å; E159-L162 WeakPolarHBondContact O-CB 3.39Å; E159-L162 WeakPolarHBondContact O-CG 3.19Å; E159-L162 PolarHBondContact O-N 3.12Å; E159-M225 CarbonylContact C-O 3.6Å; E159-M225 WeakPolarHBondContact CA-O 3.46Å; E159-M225 PolarHBondContact N-O 2.9Å; E159-M225 VanDerWaalsContact N-O 3.1Å |
| 160 | L | 90.8 | Very high | 85.1 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -48.5 | -26.8 | -177.6 | -177.2 | 70.5 | 0 | 0 | 0 | 114.7 | V54 V157 D158 L162 I163 L176 M225 L239 | V54-L160 HydrophobicContact CG1-CD2 3.98Å; V54-L160 HydrophobicContact CG2-CD2 4.22Å; V157-L160 HydrophobicContact CB-CD1 4.3Å; V157-L160 HydrophobicContact CG1-CB 4.33Å; V157-L160 HydrophobicContact CG1-CD1 3.84Å; D158-L160 PolarHBondContact O-N 2.9Å; L160-L162 PolarHBondContact O-N 2.92Å; L160-L162 VanDerWaalsContact O-N 3.08Å; L160-I163 WeakPolarHBondContact O-CB 3.5Å; L160-I163 VanDerWaalsContact O-CG2 3.23Å; L160-I163 WeakPolarHBondContact O-CG2 3.28Å; L160-I163 PolarHBondContact O-N 3.34Å; L160-L176 HydrophobicContact CD1-CD1 4.03Å; L160-M225 PolarHBondContact N-O 2.95Å; L160-L239 HydrophobicContact CD2-CD1 4.31Å |
| 161 | H | 86.8 | Confident | 85 | Confident | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -55.3 | -23.6 | 173.8 | 56.5 | -94.5 | 0 | 0 | 0 | 114 | E159 I163 G164 S226 L229 L490 | E159-H161 PolarHBondContact O-N 2.96Å; E159-H161 IonicContact OE1-CE1 3.88Å; E159-H161 IonicContact OE2-CE1 2.61Å; E159-H161 PolarHBondContact OE2-CE1 3.14Å; E159-H161 IonicContact OE2-ND1 2.65Å; H161-I163 PolarHBondContact O-N 2.62Å; H161-I163 VanDerWaalsContact O-N 3.14Å; H161-G164 PolarHBondContact O-N 3.02Å; H161-G164 VanDerWaalsContact O-N 3.1Å; H161-S226 WeakPolarHBondContact CB-OG 3.46Å; H161-S226 PolarHBondContact N-OG 3.09Å; H161-S226 PolarHBondContact ND1-OG 2.66Å; H161-L229 HydrophobicContact CB-CD1 3.86Å; H161-L229 HydrophobicContact CB-CD2 3.89Å; H161-L229 HydrophobicContact CB-CG 4.07Å; H161-L490 VanDerWaalsContact CD2-CD2 3.4Å; H161-L490 WeakPolarHBondContact CD2-CD2 3.49Å |
| 162 | L | 84.7 | Confident | 85.1 | Confident | 27 Ų | 27 | 27 Ų | 27 | 14% | 0.141 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -67.2 | -5.4 | 176 | -63.2 | 174.3 | 0 | 0 | 0 | 113.9 | P87 E159 L160 G164 D165 G169 | P87-L162 HydrophobicContact CB-CD1 3.41Å; P87-L162 VanDerWaalsContact CB-CD1 3.41Å; P87-L162 HydrophobicContact CG-CD1 3.73Å; E159-L162 HydrophobicContact CB-CD1 3.89Å; E159-L162 HydrophobicContact CB-CG 4.29Å; E159-L162 WeakPolarHBondContact O-CB 3.39Å; E159-L162 WeakPolarHBondContact O-CG 3.19Å; E159-L162 PolarHBondContact O-N 3.12Å; L160-L162 PolarHBondContact O-N 2.92Å; L160-L162 VanDerWaalsContact O-N 3.08Å; L162-G164 PolarHBondContact O-N 3.04Å; L162-D165 VanDerWaalsContact O-CB 3.22Å; L162-D165 WeakPolarHBondContact O-CB 3.18Å; L162-D165 PolarHBondContact O-N 3.28Å; L162-G169 WeakPolarHBondContact O-CA 3.42Å |
| 163 | I | 87 | Confident | 85.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -60 | -24.9 | 165.2 | -163.7 | 171.4 | 0 | 0 | 0 | 112.5 | L160 H161 D165 G169 L172 E173 L176 L235 W238 V533 C536 L601 | L160-I163 WeakPolarHBondContact O-CB 3.5Å; L160-I163 VanDerWaalsContact O-CG2 3.23Å; L160-I163 WeakPolarHBondContact O-CG2 3.28Å; L160-I163 PolarHBondContact O-N 3.34Å; H161-I163 PolarHBondContact O-N 2.62Å; H161-I163 VanDerWaalsContact O-N 3.14Å; I163-D165 VanDerWaalsContact C-N 3.33Å; I163-G169 CarbonylContact O-C 3.53Å; I163-G169 WeakPolarHBondContact O-CA 3.26Å; I163-L172 HydrophobicContact CB-CD2 4.26Å; I163-E173 HydrophobicContact CD1-CB 3.84Å; I163-E173 HydrophobicContact CD1-CG 4.15Å; I163-E173 HydrophobicContact CG1-CB 3.78Å; I163-E173 HydrophobicContact CG1-CG 4.45Å; I163-L176 HydrophobicContact CD1-CD1 4.49Å; I163-L235 HydrophobicContact CG2-CD2 4.26Å; I163-W238 HydrophobicContact CD1-CE3 4.42Å; I163-W238 HydrophobicContact CD1-CH2 3.31Å; I163-W238 HydrophobicContact CD1-CZ2 4.42Å; I163-W238 HydrophobicContact CD1-CZ3 3.31Å; I163-V533 HydrophobicContact CG2-CG1 3.46Å; I163-V533 VanDerWaalsContact CG2-CG1 3.46Å; I163-C536 PolarHBondContact O-SG 3.05Å; I163-L601 HydrophobicContact CD1-CD2 4.11Å; I163-L601 HydrophobicContact CG2-CD2 4.39Å |
| 164 | G | 79.3 | Confident | 84.8 | Confident | 31 Ų | 31 | 26.9 Ų | 26.9 | 32% | 0.32 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -84.7 | 7.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | H161 L162 C536 | H161-G164 PolarHBondContact O-N 3.02Å; H161-G164 VanDerWaalsContact O-N 3.1Å; L162-G164 PolarHBondContact O-N 3.04Å; G164-C536 VanDerWaalsContact C-SG 3.51Å |
| 165 | D | 76.2 | Confident | 84.5 | Confident | 55 Ų | 55 | 26.9 Ų | 26.9 | 29% | 0.294 | 14% | 0.141 | S | C | . | . | trans | -79.3 | 125 | 176.7 | 176.3 | -95.4 | 0 | 0 | 0 | 112.1 | L162 I163 H167 R168 G169 | L162-D165 VanDerWaalsContact O-CB 3.22Å; L162-D165 WeakPolarHBondContact O-CB 3.18Å; L162-D165 PolarHBondContact O-N 3.28Å; I163-D165 VanDerWaalsContact C-N 3.33Å; D165-H167 PolarHBondContact O-N 2.99Å; D165-H167 VanDerWaalsContact O-N 3.15Å; D165-H167 WeakPolarHBondContact OD1-CA 3.17Å; D165-H167 WeakPolarHBondContact OD1-CB 3.31Å; D165-H167 PolarHBondContact OD1-N 2.84Å; D165-R168 PolarHBondContact OD1-N 2.85Å; D165-G169 VanDerWaalsContact O-CA 3.25Å; D165-G169 WeakPolarHBondContact O-CA 3.3Å; D165-G169 PolarHBondContact O-N 3.47Å | ||
| 166 | T | 67 | Low | 84.3 | Confident | 110 Ų | 110 | 26.8 Ų | 26.8 | 68% | 0.675 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -15 | -175.2 | 51.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 167 | H | 66 | Low | 83.8 | Confident | 149 Ų | 149 | 26.8 Ų | 26.8 | 69% | 0.69 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -33.3 | -178.6 | -72 | -68.8 | 0 | 0 | 0 | 113.4 | D165 Y170 | D165-H167 PolarHBondContact O-N 2.99Å; D165-H167 VanDerWaalsContact O-N 3.15Å; D165-H167 WeakPolarHBondContact OD1-CA 3.17Å; D165-H167 WeakPolarHBondContact OD1-CB 3.31Å; D165-H167 PolarHBondContact OD1-N 2.84Å; H167-Y170 WeakPolarHBondContact O-CE1 3.47Å |
| 168 | R | 76.3 | Confident | 83.3 | Confident | 65 Ų | 65 | 27.3 Ų | 27.3 | 25% | 0.245 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | -17.7 | -169.4 | -62.1 | 172 | 71.5 | -144.6 | 1.5 | 113.5 | P87 E134 D165 Y170 L171 | P87-R168 VanDerWaalsContact O-CZ 3.27Å; P87-R168 PolarHBondContact O-NH1 2.85Å; P87-R168 PolarHBondContact O-NH2 3.18Å; E134-R168 VanDerWaalsContact CD-NH2 3.33Å; E134-R168 IonicContact OE1-CZ 3.59Å; E134-R168 IonicContact OE1-NE 3.43Å; E134-R168 PolarHBondContact OE1-NE 2.59Å; E134-R168 IonicContact OE1-NH2 3.61Å; E134-R168 PolarHBondContact OE1-NH2 3.43Å; E134-R168 IonicContact OE2-NH2 2.94Å; E134-R168 PolarHBondContact OE2-NH2 3.49Å; E134-R168 VanDerWaalsContact OE2-NH2 3.12Å; D165-R168 PolarHBondContact OD1-N 2.85Å; R168-Y170 VanDerWaalsContact C-N 3.29Å; R168-Y170 PolarHBondContact O-N 3.1Å; R168-L171 WeakPolarHBondContact O-CB 3.23Å; R168-L171 PolarHBondContact O-N 3.03Å; R168-L171 VanDerWaalsContact O-N 3.09Å |
| 169 | G | 79.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.2 | -35.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L162 I163 D165 L171 L172 E173 | L162-G169 WeakPolarHBondContact O-CA 3.42Å; I163-G169 CarbonylContact O-C 3.53Å; I163-G169 WeakPolarHBondContact O-CA 3.26Å; D165-G169 VanDerWaalsContact O-CA 3.25Å; D165-G169 WeakPolarHBondContact O-CA 3.3Å; D165-G169 PolarHBondContact O-N 3.47Å; G169-L171 VanDerWaalsContact C-N 3.25Å; G169-L171 PolarHBondContact O-N 3.41Å; G169-L172 WeakPolarHBondContact O-CB 3.27Å; G169-L172 PolarHBondContact O-N 3.35Å; G169-E173 PolarHBondContact O-N 3.33Å |
| 170 | Y | 81.7 | Confident | 83.2 | Confident | 43 Ų | 43 | 25.2 Ų | 25.2 | 17% | 0.169 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -33 | 174.7 | 83.2 | -90.4 | 0 | 0 | 0 | 112.9 | H167 R168 L172 E173 L174 C536 | H167-Y170 WeakPolarHBondContact O-CE1 3.47Å; R168-Y170 VanDerWaalsContact C-N 3.29Å; R168-Y170 PolarHBondContact O-N 3.1Å; Y170-L172 VanDerWaalsContact C-N 3.33Å; Y170-E173 PolarHBondContact O-N 3.29Å; Y170-L174 HydrophobicContact CD2-CD1 3.99Å; Y170-L174 HydrophobicContact CE2-CD1 4.38Å; Y170-L174 VanDerWaalsContact O-CG 3.24Å; Y170-L174 WeakPolarHBondContact O-CG 3.44Å; Y170-L174 PolarHBondContact O-N 3.48Å; Y170-C536 WeakPolarHBondContact CB-O 3.48Å |
| 171 | L | 81 | Confident | 82.8 | Confident | 14 Ų | 14 | 25.4 Ų | 25.4 | 7% | 0.073 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69 | -33.6 | 175.8 | -67.5 | 174.8 | 0 | 0 | 0 | 111.8 | I133 E134 R168 G169 L175 | I133-L171 HydrophobicContact CG2-CB 3.88Å; E134-L171 HydrophobicContact CG-CD1 4.2Å; R168-L171 WeakPolarHBondContact O-CB 3.23Å; R168-L171 PolarHBondContact O-N 3.03Å; R168-L171 VanDerWaalsContact O-N 3.09Å; G169-L171 VanDerWaalsContact C-N 3.25Å; G169-L171 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-CB 3.29Å; L171-L175 WeakPolarHBondContact O-CB 3.23Å; L171-L175 PolarHBondContact O-N 2.87Å |
| 172 | L | 88.5 | Confident | 82.4 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.9 | -38.9 | 175.6 | -171.9 | 59.7 | 0 | 0 | 0 | 111.2 | I85 I133 V157 I163 G169 Y170 L176 | I85-L172 HydrophobicContact CG2-CD1 4.5Å; I133-L172 HydrophobicContact CG2-CB 4.04Å; V157-L172 HydrophobicContact CG1-CD1 3.88Å; V157-L172 HydrophobicContact CG1-CD2 3.84Å; V157-L172 HydrophobicContact CG1-CG 4.36Å; V157-L172 HydrophobicContact CG2-CD1 4.08Å; I163-L172 HydrophobicContact CB-CD2 4.26Å; G169-L172 WeakPolarHBondContact O-CB 3.27Å; G169-L172 PolarHBondContact O-N 3.35Å; Y170-L172 VanDerWaalsContact C-N 3.33Å; L172-L176 HydrophobicContact CD1-CD1 4.38Å; L172-L176 HydrophobicContact CG-CD1 4.25Å; L172-L176 WeakPolarHBondContact O-CB 3.49Å; L172-L176 WeakPolarHBondContact O-CG 3.23Å; L172-L176 PolarHBondContact O-N 2.85Å; L172-L176 VanDerWaalsContact O-N 3.08Å |
| 173 | E | 90 | Very high | 82.2 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 172.2 | -170.7 | 174.7 | 167.9 | 0 | 0 | 111.5 | I163 G169 Y170 L176 T177 W238 S535 C536 L537 L601 L602 | I163-E173 HydrophobicContact CD1-CB 3.84Å; I163-E173 HydrophobicContact CD1-CG 4.15Å; I163-E173 HydrophobicContact CG1-CB 3.78Å; I163-E173 HydrophobicContact CG1-CG 4.45Å; G169-E173 PolarHBondContact O-N 3.33Å; Y170-E173 PolarHBondContact O-N 3.29Å; E173-L176 PolarHBondContact O-N 3.23Å; E173-T177 VanDerWaalsContact O-CB 3.24Å; E173-T177 WeakPolarHBondContact O-CB 3.41Å; E173-T177 PolarHBondContact O-N 3Å; E173-T177 PolarHBondContact O-OG1 3.35Å; E173-W238 HydrophobicContact CG-CH2 4.49Å; E173-W238 HydrophobicContact CG-CZ2 4.36Å; E173-S535 WeakPolarHBondContact OE1-CB 3.49Å; E173-S535 PolarHBondContact OE1-OG 3.31Å; E173-S535 WeakPolarHBondContact OE2-CA 3.34Å; E173-S535 WeakPolarHBondContact OE2-CB 3.37Å; E173-S535 PolarHBondContact OE2-OG 3.47Å; E173-C536 PolarHBondContact OE2-N 2.6Å; E173-L537 WeakPolarHBondContact OE1-CD1 3.11Å; E173-L601 HydrophobicContact CG-CB 4.15Å; E173-L601 WeakPolarHBondContact OE1-CB 3.33Å; E173-L601 PolarHBondContact OE1-N 3.36Å; E173-L601 VanDerWaalsContact OE1-N 3.11Å; E173-L602 PolarHBondContact OE1-N 2.94Å |
| 174 | L | 83.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 178.3 | -68.8 | 177.7 | 0 | 0 | 0 | 112.7 | Y170 T177 K178 L537 R550 A551 | Y170-L174 HydrophobicContact CD2-CD1 3.99Å; Y170-L174 HydrophobicContact CE2-CD1 4.38Å; Y170-L174 VanDerWaalsContact O-CG 3.24Å; Y170-L174 WeakPolarHBondContact O-CG 3.44Å; Y170-L174 PolarHBondContact O-N 3.48Å; L174-T177 PolarHBondContact O-N 3.44Å; L174-K178 VanDerWaalsContact O-CE 3.24Å; L174-K178 WeakPolarHBondContact O-CE 3.29Å; L174-K178 WeakPolarHBondContact O-CG 3.25Å; L174-K178 PolarHBondContact O-N 3.41Å; L174-L537 HydrophobicContact CD2-CD2 3.97Å; L174-L537 HydrophobicContact CG-CD2 4.32Å; L174-R550 HydrophobicContact CD1-CG 4.29Å; L174-A551 HydrophobicContact CD2-CB 3.32Å |
| 175 | L | 88.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.5 | -53.6 | 176.1 | -175.2 | 161.6 | 0 | 0 | 0 | 110.9 | I85 A136 N137 L171 K178 L179 | I85-L175 HydrophobicContact CD1-CD1 3.6Å; I85-L175 HydrophobicContact CD1-CD2 3.84Å; I85-L175 HydrophobicContact CD1-CG 4.43Å; A136-L175 HydrophobicContact CB-CD1 3.59Å; N137-L175 HydrophobicContact CB-CD1 4.15Å; L171-L175 VanDerWaalsContact O-CB 3.29Å; L171-L175 WeakPolarHBondContact O-CB 3.23Å; L171-L175 PolarHBondContact O-N 2.87Å; L175-K178 PolarHBondContact O-N 3.47Å; L175-L179 HydrophobicContact CD2-CD1 3.75Å; L175-L179 HydrophobicContact CD2-CG 4.49Å; L175-L179 PolarHBondContact O-N 2.97Å |
| 176 | L | 92 | Very high | 80.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | -179.1 | -68.1 | 171.5 | 0 | 0 | 0 | 111.7 | V157 L160 I163 L172 E173 K178 L179 L180 I222 W238 L239 | V157-L176 HydrophobicContact CG2-CD2 4.1Å; L160-L176 HydrophobicContact CD1-CD1 4.03Å; I163-L176 HydrophobicContact CD1-CD1 4.49Å; L172-L176 HydrophobicContact CD1-CD1 4.38Å; L172-L176 HydrophobicContact CG-CD1 4.25Å; L172-L176 WeakPolarHBondContact O-CB 3.49Å; L172-L176 WeakPolarHBondContact O-CG 3.23Å; L172-L176 PolarHBondContact O-N 2.85Å; L172-L176 VanDerWaalsContact O-N 3.08Å; E173-L176 PolarHBondContact O-N 3.23Å; L176-K178 VanDerWaalsContact C-N 3.32Å; L176-K178 PolarHBondContact O-N 2.93Å; L176-L179 PolarHBondContact O-N 3.45Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.27Å; L176-I222 HydrophobicContact CD2-CD1 4.23Å; L176-I222 HydrophobicContact CD2-CG2 3.77Å; L176-W238 HydrophobicContact CB-CH2 3.65Å; L176-W238 HydrophobicContact CB-CZ2 4.08Å; L176-W238 HydrophobicContact CD1-CH2 3.83Å; L176-W238 HydrophobicContact CD1-CZ3 4.1Å; L176-W238 HydrophobicContact CG-CH2 4.4Å; L176-L239 HydrophobicContact CB-CD2 4.24Å; L176-L239 HydrophobicContact CD1-CD2 4.32Å |
| 177 | T | 87.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58 | -40.7 | 174.6 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | E173 L174 L180 F181 Y596 S599 T600 | E173-T177 VanDerWaalsContact O-CB 3.24Å; E173-T177 WeakPolarHBondContact O-CB 3.41Å; E173-T177 PolarHBondContact O-N 3Å; E173-T177 PolarHBondContact O-OG1 3.35Å; L174-T177 PolarHBondContact O-N 3.44Å; T177-L180 PolarHBondContact O-N 2.87Å; T177-F181 VanDerWaalsContact O-CB 3.24Å; T177-F181 WeakPolarHBondContact O-CB 3.4Å; T177-F181 PolarHBondContact O-N 2.6Å; T177-Y596 HydrophobicContact CG2-CD1 4.07Å; T177-Y596 HydrophobicContact CG2-CD2 4.03Å; T177-Y596 HydrophobicContact CG2-CE1 3.69Å; T177-Y596 HydrophobicContact CG2-CE2 3.66Å; T177-Y596 HydrophobicContact CG2-CG 4.24Å; T177-Y596 VanDerWaalsContact CG2-CZ 3.48Å; T177-S599 WeakPolarHBondContact CG2-O 3.44Å; T177-S599 PolarHBondContact OG1-O 3.18Å; T177-T600 HydrophobicContact CG2-CG2 3.91Å |
| 178 | K | 84.9 | Confident | 80.5 | Confident | 13 Ų | 13 | 26.8 Ų | 26.8 | 6% | 0.057 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 175.8 | -77.1 | 173.1 | -62.4 | -159.2 | 0 | 112.5 | N137 N141 I144 L174 L175 L176 F181 Y182 E554 Y596 | N137-K178 PolarHBondContact OD1-NZ 3.34Å; N141-K178 PolarHBondContact OD1-NZ 2.84Å; I144-K178 HydrophobicContact CD1-CB 4.44Å; I144-K178 HydrophobicContact CD1-CD 4.07Å; L174-K178 VanDerWaalsContact O-CE 3.24Å; L174-K178 WeakPolarHBondContact O-CE 3.29Å; L174-K178 WeakPolarHBondContact O-CG 3.25Å; L174-K178 PolarHBondContact O-N 3.41Å; L175-K178 PolarHBondContact O-N 3.47Å; L176-K178 VanDerWaalsContact C-N 3.32Å; L176-K178 PolarHBondContact O-N 2.93Å; K178-F181 PolarHBondContact O-N 3.05Å; K178-Y182 WeakPolarHBondContact O-CB 3.2Å; K178-Y182 PolarHBondContact O-N 3.46Å; K178-E554 WeakPolarHBondContact CE-OE2 3.31Å; K178-E554 IonicContact NZ-OE2 2.69Å; K178-E554 PolarHBondContact NZ-OE2 3.43Å; K178-Y596 HydrophobicContact CG-CE2 3.81Å |
| 179 | L | 88.2 | Confident | 79.4 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 178.1 | -59.1 | 174.5 | 0 | 0 | 0 | 111.5 | V140 L149 L152 V155 L175 L176 S183 I220 I222 | V140-L179 HydrophobicContact CG1-CD2 4.38Å; L149-L179 HydrophobicContact CD1-CD2 4.28Å; L152-L179 HydrophobicContact CD2-CD2 4.24Å; V155-L179 HydrophobicContact CB-CD1 4.12Å; V155-L179 HydrophobicContact CG1-CD1 4.29Å; V155-L179 HydrophobicContact CG2-CD1 3.65Å; L175-L179 HydrophobicContact CD2-CD1 3.75Å; L175-L179 HydrophobicContact CD2-CG 4.49Å; L175-L179 PolarHBondContact O-N 2.97Å; L176-L179 PolarHBondContact O-N 3.45Å; L179-S183 PolarHBondContact O-N 3.42Å; L179-S183 VanDerWaalsContact O-N 3.09Å; L179-S183 PolarHBondContact O-OG 2.86Å; L179-I220 HydrophobicContact CD2-CD1 3.85Å; L179-I220 HydrophobicContact CD2-CG2 4.44Å; L179-I222 HydrophobicContact CB-CD1 4.24Å |
| 180 | L | 87.4 | Confident | 78 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 172.4 | -71.5 | 179.1 | 0 | 0 | 0 | 111.9 | L176 T177 S183 R184 I222 W238 L239 | L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.27Å; T177-L180 PolarHBondContact O-N 2.87Å; L180-S183 PolarHBondContact O-N 3Å; L180-R184 VanDerWaalsContact O-CB 3.29Å; L180-R184 WeakPolarHBondContact O-CB 3.16Å; L180-R184 WeakPolarHBondContact O-CG 3.35Å; L180-R184 PolarHBondContact O-N 3.25Å; L180-I222 HydrophobicContact CD2-CD1 3.99Å; L180-I222 HydrophobicContact CG-CD1 4.29Å; L180-W238 HydrophobicContact CD1-CD2 4.49Å; L180-W238 HydrophobicContact CD1-CZ2 4.26Å; L180-W238 WeakPolarHBondContact CD1-O 3.4Å; L180-L239 HydrophobicContact CD1-CD2 4.12Å; L180-L239 HydrophobicContact CG-CD2 4.44Å |
| 181 | F | 81.9 | Confident | 76.4 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -44.7 | 179.3 | 174.4 | -103.2 | 0 | 0 | 0 | 111.8 | T177 K178 R184 R185 Y558 L595 Y596 | T177-F181 VanDerWaalsContact O-CB 3.24Å; T177-F181 WeakPolarHBondContact O-CB 3.4Å; T177-F181 PolarHBondContact O-N 2.6Å; K178-F181 PolarHBondContact O-N 3.05Å; F181-R184 PolarHBondContact O-N 3.46Å; F181-R185 WeakPolarHBondContact O-CB 3.36Å; F181-R185 PolarHBondContact O-N 3.39Å; F181-Y558 AromaticContact CE1-CD1 3.97Å; F181-Y558 HydrophobicContact CE1-CD1 3.97Å; F181-Y558 HydrophobicContact CE1-CE1 4.04Å; F181-Y558 HydrophobicContact CE1-CG 4.49Å; F181-L595 HydrophobicContact CD2-CG 4.14Å; F181-L595 HydrophobicContact CE2-CB 4.23Å; F181-L595 HydrophobicContact CE2-CD2 4.15Å; F181-L595 HydrophobicContact CE2-CG 4.04Å; F181-Y596 HydrophobicContact CB-CD2 3.89Å; F181-Y596 HydrophobicContact CD1-CD2 4.14Å; F181-Y596 HydrophobicContact CD2-CD2 4.11Å; F181-Y596 HydrophobicContact CD2-CG 4.46Å; F181-Y596 AromaticContact CG-CD2 3.79Å; F181-Y596 HydrophobicContact CG-CD2 3.79Å |
| 182 | Y | 79.5 | Confident | 74.5 | Confident | 40 Ų | 40 | 41.5 Ų | 41.5 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58 | -52.7 | 175.1 | -178.6 | -101.8 | 0 | 0 | 0 | 111.7 | L149 K178 R184 R185 I186 I220 Y558 | L149-Y182 HydrophobicContact CB-CE2 4.46Å; L149-Y182 HydrophobicContact CD2-CD1 4.05Å; L149-Y182 HydrophobicContact CD2-CD2 3.78Å; L149-Y182 HydrophobicContact CD2-CE1 4.29Å; L149-Y182 HydrophobicContact CD2-CE2 4.03Å; L149-Y182 HydrophobicContact CD2-CG 3.78Å; L149-Y182 HydrophobicContact CG-CE1 4.46Å; K178-Y182 WeakPolarHBondContact O-CB 3.2Å; K178-Y182 PolarHBondContact O-N 3.46Å; Y182-R184 PolarHBondContact O-N 2.88Å; Y182-R185 PolarHBondContact O-N 3.41Å; Y182-I186 HydrophobicContact CD1-CD1 3.88Å; Y182-I186 HydrophobicContact CD2-CD1 4.5Å; Y182-I186 HydrophobicContact CE1-CD1 3.44Å; Y182-I186 VanDerWaalsContact CE1-CD1 3.44Å; Y182-I186 HydrophobicContact CE2-CD1 4.13Å; Y182-I186 HydrophobicContact CG-CD1 4.4Å; Y182-I186 PolarHBondContact O-N 3.45Å; Y182-I186 VanDerWaalsContact O-N 3.08Å; Y182-I220 HydrophobicContact CD1-CD1 3.76Å; Y182-I220 HydrophobicContact CD1-CG1 4.36Å; Y182-I220 HydrophobicContact CE1-CD1 3.97Å; Y182-I220 HydrophobicContact CE1-CG1 4.43Å; Y182-Y558 HydrophobicContact CD2-CE2 4.38Å; Y182-Y558 WeakPolarHBondContact CD2-OH 3.12Å |
| 183 | S | 79.6 | Confident | 72.2 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 177.7 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | L179 L180 I186 S187 | L179-S183 PolarHBondContact O-N 3.42Å; L179-S183 VanDerWaalsContact O-N 3.09Å; L179-S183 PolarHBondContact O-OG 2.86Å; L180-S183 PolarHBondContact O-N 3Å; S183-I186 PolarHBondContact O-N 2.89Å; S183-S187 PolarHBondContact O-N 3.33Å; S183-S187 PolarHBondContact O-OG 3.32Å |
| 184 | R | 77.8 | Confident | 69.6 | Low | 78 Ų | 78 | 46.6 Ų | 46.6 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63 | -40.8 | 176 | -73.1 | 169.6 | 179.1 | -162.1 | -1.1 | 111.9 | L180 F181 Y182 S187 N188 S598 S599 | L180-R184 VanDerWaalsContact O-CB 3.29Å; L180-R184 WeakPolarHBondContact O-CB 3.16Å; L180-R184 WeakPolarHBondContact O-CG 3.35Å; L180-R184 PolarHBondContact O-N 3.25Å; F181-R184 PolarHBondContact O-N 3.46Å; Y182-R184 PolarHBondContact O-N 2.88Å; R184-S187 PolarHBondContact O-N 2.99Å; R184-N188 PolarHBondContact O-N 2.92Å; R184-S598 PolarHBondContact NH1-O 3.2Å; R184-S599 WeakPolarHBondContact CD-OG 3.34Å; R184-S599 VanDerWaalsContact NH1-CA 3.32Å; R184-S599 PolarHBondContact NH1-OG 3.23Å |
| 185 | R | 69.8 | Low | 67.3 | Low | 35 Ų | 35 | 52.8 Ų | 52.8 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.6 | -169.3 | -177.3 | -161.9 | 76.9 | -3.3 | 111.7 | F181 Y182 N188 F189 D592 | F181-R185 WeakPolarHBondContact O-CB 3.36Å; F181-R185 PolarHBondContact O-N 3.39Å; Y182-R185 PolarHBondContact O-N 3.41Å; R185-N188 PolarHBondContact O-N 2.88Å; R185-F189 PolarHBondContact O-N 3.38Å; R185-F189 VanDerWaalsContact O-N 3.14Å; R185-D592 IonicContact CZ-OD1 2.7Å; R185-D592 IonicContact CZ-OD2 3.15Å; R185-D592 VanDerWaalsContact CZ-OD2 3.22Å; R185-D592 IonicContact NH1-OD1 3.24Å; R185-D592 PolarHBondContact NH1-OD1 2.9Å; R185-D592 IonicContact NH1-OD2 3.77Å; R185-D592 PolarHBondContact NH1-OD2 2.97Å; R185-D592 IonicContact NH2-OD1 3.81Å; R185-D592 IonicContact NH2-OD2 3.38Å; R185-D592 PolarHBondContact NH2-OD2 3.15Å |
| 186 | I | 68.4 | Low | 64.5 | Low | 68 Ų | 68 | 63.7 Ų | 63.7 | 35% | 0.349 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 177.9 | -69.3 | 171.6 | 0 | 0 | 0 | 111.3 | Y182 S183 N188 F189 K190 | Y182-I186 HydrophobicContact CD1-CD1 3.88Å; Y182-I186 HydrophobicContact CD2-CD1 4.5Å; Y182-I186 HydrophobicContact CE1-CD1 3.44Å; Y182-I186 VanDerWaalsContact CE1-CD1 3.44Å; Y182-I186 HydrophobicContact CE2-CD1 4.13Å; Y182-I186 HydrophobicContact CG-CD1 4.4Å; Y182-I186 PolarHBondContact O-N 3.45Å; Y182-I186 VanDerWaalsContact O-N 3.08Å; S183-I186 PolarHBondContact O-N 2.89Å; I186-N188 PolarHBondContact O-N 3.47Å; I186-F189 PolarHBondContact O-N 2.79Å; I186-K190 PolarHBondContact O-N 2.95Å; I186-K190 VanDerWaalsContact O-N 3.14Å |
| 187 | S | 64.3 | Low | 61.7 | Low | 66 Ų | 66 | 69.8 Ų | 69.8 | 46% | 0.462 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.1 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | S183 R184 F189 K190 H191 | S183-S187 PolarHBondContact O-N 3.33Å; S183-S187 PolarHBondContact O-OG 3.32Å; R184-S187 PolarHBondContact O-N 2.99Å; S187-F189 PolarHBondContact O-N 3.27Å; S187-K190 PolarHBondContact O-N 3.11Å; S187-H191 PolarHBondContact O-N 3Å |
| 188 | N | 60.7 | Low | 58.9 | Low | 89 Ų | 89 | 77 Ų | 77 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.1 | -74.7 | -7.4 | 0 | 0 | 0 | 112 | R184 R185 I186 K190 H191 T192 | R184-N188 PolarHBondContact O-N 2.92Å; R185-N188 PolarHBondContact O-N 2.88Å; I186-N188 PolarHBondContact O-N 3.47Å; N188-K190 VanDerWaalsContact C-N 3.35Å; N188-K190 PolarHBondContact O-N 3Å; N188-H191 PolarHBondContact O-N 3.47Å; N188-H191 VanDerWaalsContact O-N 3.16Å; N188-T192 PolarHBondContact O-N 3.28Å; N188-T192 PolarHBondContact O-OG1 2.78Å |
| 189 | F | 53.1 | Low | 56.3 | Low | 92 Ų | 92 | 85.2 Ų | 85.2 | 40% | 0.404 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 179.1 | -175.4 | -106.5 | 0 | 0 | 0 | 113.3 | R185 I186 S187 H191 T192 N193 F586 | R185-F189 PolarHBondContact O-N 3.38Å; R185-F189 VanDerWaalsContact O-N 3.14Å; I186-F189 PolarHBondContact O-N 2.79Å; S187-F189 PolarHBondContact O-N 3.27Å; F189-H191 VanDerWaalsContact C-N 3.34Å; F189-T192 PolarHBondContact O-OG1 2.85Å; F189-N193 WeakPolarHBondContact CE2-ND2 3.17Å; F189-N193 VanDerWaalsContact CZ-ND2 3.27Å; F189-N193 WeakPolarHBondContact CZ-ND2 3.3Å; F189-F586 AromaticContact CD2-CE1 3.86Å; F189-F586 HydrophobicContact CD2-CE1 3.86Å; F189-F586 HydrophobicContact CD2-CE2 4.31Å; F189-F586 AromaticContact CD2-CZ 3.52Å; F189-F586 HydrophobicContact CD2-CZ 3.52Å; F189-F586 HydrophobicContact CE2-CE1 4.06Å; F189-F586 AromaticContact CE2-CE2 3.72Å; F189-F586 HydrophobicContact CE2-CE2 3.72Å; F189-F586 AromaticContact CE2-CZ 3.24Å; F189-F586 HydrophobicContact CE2-CZ 3.24Å; F189-F586 HydrophobicContact CZ-CZ 4.12Å |
| 190 | K | 50.2 | Low | 53.4 | Low | 115 Ų | 115 | 92.3 Ų | 92.3 | 50% | 0.5 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 172.7 | -71 | 178.4 | 179.5 | 177.7 | 0 | 111.8 | I186 S187 N188 G194 | I186-K190 PolarHBondContact O-N 2.95Å; I186-K190 VanDerWaalsContact O-N 3.14Å; S187-K190 PolarHBondContact O-N 3.11Å; N188-K190 VanDerWaalsContact C-N 3.35Å; N188-K190 PolarHBondContact O-N 3Å; K190-G194 PolarHBondContact O-N 2.87Å |
| 191 | H | 46.6 | Very low | 50.6 | Low | 139 Ų | 139 | 97.8 Ų | 97.8 | 64% | 0.644 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73.3 | -37.1 | -179.6 | -103.6 | -71.3 | 0 | 0 | 0 | 114.3 | S187 N188 F189 | S187-H191 PolarHBondContact O-N 3Å; N188-H191 PolarHBondContact O-N 3.47Å; N188-H191 VanDerWaalsContact O-N 3.16Å; F189-H191 VanDerWaalsContact C-N 3.34Å |
| 192 | T | 42.4 | Very low | 48 | Very low | 85 Ų | 85 | 106.2 Ų | 106.2 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.4 | -38.5 | -176.8 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | N188 F189 | N188-T192 PolarHBondContact O-N 3.28Å; N188-T192 PolarHBondContact O-OG1 2.78Å; F189-T192 PolarHBondContact O-OG1 2.85Å |
| 193 | N | 39.1 | Very low | 45.6 | Very low | 63 Ų | 63 | 109.3 Ų | 109.3 | 34% | 0.337 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -88.3 | -22 | -177.9 | -73.3 | -36.9 | 0 | 0 | 0 | 114.1 | F189 I195 | F189-N193 WeakPolarHBondContact CE2-ND2 3.17Å; F189-N193 VanDerWaalsContact CZ-ND2 3.27Å; F189-N193 WeakPolarHBondContact CZ-ND2 3.3Å; N193-I195 PolarHBondContact O-N 3.09Å |
| 194 | G | 36 | Very low | 43.2 | Very low | 47 Ų | 47 | 113.2 Ų | 113.2 | 49% | 0.485 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -9.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | K190 | K190-G194 PolarHBondContact O-N 2.87Š|
| 195 | I | 34.4 | Very low | 40.9 | Very low | 129 Ų | 129 | 115.1 Ų | 115.1 | 66% | 0.662 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | -0.9 | -165 | -65.8 | 177 | 0 | 0 | 0 | 113.6 | N193 | N193-I195 PolarHBondContact O-N 3.09Š|
| 196 | R | 30.1 | Very low | 39.2 | Very low | 230 Ų | 230 | 118.9 Ų | 118.9 | 87% | 0.868 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -128.2 | 7.3 | -174 | -81.4 | -172.9 | 169.5 | 179.2 | -2.7 | 117.9 | ||
| 197 | I | 33.8 | Very low | 37.4 | Very low | 128 Ų | 128 | 124 Ų | 124 | 66% | 0.656 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -115.6 | -7 | -177.6 | -65.4 | 175.6 | 0 | 0 | 0 | 112.9 | ||
| 198 | L | 28.6 | Very low | 35.8 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -105.5 | 14.5 | -167.4 | -73.2 | 172.3 | 0 | 0 | 0 | 117 | ||
| 199 | E | 29.8 | Very low | 34.4 | Very low | 185 Ų | 185 | 125.5 Ų | 125.5 | 86% | 0.864 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -108.3 | -6.8 | 178.6 | -70.9 | -166 | 139.1 | 0 | 0 | 115.7 | ||
| 200 | N | 28.2 | Very low | 33.5 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 80% | 0.802 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -140.3 | 67.6 | -174.2 | -85.9 | -66.2 | 0 | 0 | 0 | 115.2 | ||
| 201 | S | 28.7 | Very low | 32.5 | Very low | 124 Ų | 124 | 129 Ų | 129 | 87% | 0.867 | 69% | 0.687 | S | S | * | * | trans | 178 | 151 | 139.4 | 38.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 202 | Q | 27.3 | Very low | 31.7 | Very low | 182 Ų | 182 | 127 Ų | 127 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | trans | -96.1 | 138.2 | -174.9 | -70.7 | -175.4 | -35 | 0 | 0 | 113.4 | ||||
| 203 | S | 29.7 | Very low | 31.2 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | S | Bend | trans | 42.2 | 97.1 | 147.9 | 60.8 | 0 | 0 | 0 | 0 | 119 | ||
| 204 | S | 29.1 | Very low | 30.8 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -174.3 | -22.7 | 139.2 | 36.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 205 | L | 29.3 | Very low | 30.7 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 62% | 0.623 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -94.3 | -6.8 | -172.3 | -103.8 | 81.9 | 0 | 0 | 0 | 117.1 | E207 S208 L209 | L205-E207 PolarHBondContact O-N 3.44Å; L205-S208 PolarHBondContact O-N 2.81Å; L205-L209 HydrophobicContact CB-CD1 4.47Å; L205-L209 HydrophobicContact CD2-CD1 4.23Å |
| 206 | N | 33 | Very low | 31.1 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 61% | 0.61 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -68 | -25.8 | -162 | -73.3 | 9 | 0 | 0 | 0 | 115.9 | N210 | N206-N210 VanDerWaalsContact O-CG 3.28Å; N206-N210 PolarHBondContact O-N 2.51Å; N206-N210 PolarHBondContact O-ND2 2.91Å |
| 207 | E | 32 | Very low | 31.9 | Very low | 175 Ų | 175 | 129.1 Ų | 129.1 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -79 | -25.8 | -176.3 | -69.5 | -168.9 | 121.1 | 0 | 0 | 114.3 | L205 | L205-E207 PolarHBondContact O-N 3.44Å |
| 208 | S | 30.2 | Very low | 33.1 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -86.3 | -36.7 | 179.1 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | L205 | L205-S208 PolarHBondContact O-N 2.81Å |
| 209 | L | 31.2 | Very low | 35.2 | Very low | 86 Ų | 86 | 120.4 Ų | 120.4 | 45% | 0.45 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -69.2 | -40.5 | 178 | -90 | 160.8 | 0 | 0 | 0 | 112.5 | L205 K211 C212 F213 | L205-L209 HydrophobicContact CB-CD1 4.47Å; L205-L209 HydrophobicContact CD2-CD1 4.23Å; L209-K211 PolarHBondContact O-N 3.36Å; L209-C212 PolarHBondContact O-N 3.3Å; L209-F213 HydrophobicContact CD2-CE2 4.35Å; L209-F213 WeakPolarHBondContact O-CD2 3.39Å; L209-F213 PolarHBondContact O-N 2.96Å |
| 210 | N | 33.5 | Very low | 38 | Very low | 105 Ų | 105 | 112.1 Ų | 112.1 | 56% | 0.561 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.8 | -32.7 | -179.9 | -77.2 | -11.7 | 0 | 0 | 0 | 112.8 | N206 C212 F213 D214 | N206-N210 VanDerWaalsContact O-CG 3.28Å; N206-N210 PolarHBondContact O-N 2.51Å; N206-N210 PolarHBondContact O-ND2 2.91Å; N210-C212 VanDerWaalsContact C-N 3.27Å; N210-C212 PolarHBondContact O-N 3.41Å; N210-F213 PolarHBondContact O-N 2.81Å; N210-D214 PolarHBondContact O-N 2.9Å; N210-D214 VanDerWaalsContact O-N 3.08Å |
| 211 | K | 29.9 | Very low | 41.1 | Very low | 176 Ų | 176 | 105.1 Ų | 105.1 | 77% | 0.765 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.6 | -18.5 | 175.2 | -80.8 | -178.9 | 174.5 | 175.2 | 0 | 114.9 | L209 | L209-K211 PolarHBondContact O-N 3.36Å |
| 212 | C | 30.3 | Very low | 44.2 | Very low | 97 Ų | 97 | 99.4 Ų | 99.4 | 66% | 0.655 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -88.3 | -12.6 | 170 | -74.3 | 0 | 0 | 0 | 0 | 113.4 | L209 N210 | L209-C212 PolarHBondContact O-N 3.3Å; N210-C212 VanDerWaalsContact C-N 3.27Å; N210-C212 PolarHBondContact O-N 3.41Å |
| 213 | F | 31.9 | Very low | 47.5 | Very low | 165 Ų | 165 | 90.7 Ų | 90.7 | 72% | 0.724 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -102 | -9.2 | 176.5 | -77.6 | -77.4 | 0 | 0 | 0 | 113.8 | L209 N210 S215 | L209-F213 HydrophobicContact CD2-CE2 4.35Å; L209-F213 WeakPolarHBondContact O-CD2 3.39Å; L209-F213 PolarHBondContact O-N 2.96Å; N210-F213 PolarHBondContact O-N 2.81Å; F213-S215 VanDerWaalsContact C-N 3.3Å; F213-S215 PolarHBondContact O-N 3.4Å |
| 214 | D | 30.3 | Very low | 50.6 | Low | 134 Ų | 134 | 85.7 Ų | 85.7 | 72% | 0.717 | 48% | 0.476 | S | S | * | . | trans | -80 | -5.6 | -179.3 | -133.2 | -2 | 0 | 0 | 0 | 114 | N210 K216 | N210-D214 PolarHBondContact O-N 2.9Å; N210-D214 VanDerWaalsContact O-N 3.08Å; D214-K216 PolarHBondContact O-N 2.9Å | ||
| 215 | S | 33.7 | Very low | 53.6 | Low | 89 Ų | 89 | 80.3 Ų | 80.3 | 62% | 0.622 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -68.4 | 96.4 | 164.8 | 59.5 | 0 | 0 | 0 | 0 | 108.7 | F213 A217 | F213-S215 VanDerWaalsContact C-N 3.3Å; F213-S215 PolarHBondContact O-N 3.4Å; S215-A217 PolarHBondContact O-N 3.25Å |
| 216 | K | 42.5 | Very low | 56.4 | Low | 136 Ų | 136 | 74.7 Ų | 74.7 | 59% | 0.591 | 41% | 0.409 | S | S | * | . | trans | -38.3 | 105 | 176.9 | -71 | 179.5 | 176.8 | -177.5 | 0 | 110.6 | D214 Y218 | D214-K216 PolarHBondContact O-N 2.9Å; K216-Y218 HydrophobicContact CB-CD1 4.44Å; K216-Y218 HydrophobicContact CB-CD2 4.13Å; K216-Y218 HydrophobicContact CB-CE1 4.15Å; K216-Y218 HydrophobicContact CB-CE2 3.84Å; K216-Y218 HydrophobicContact CB-CG 4.45Å; K216-Y218 HydrophobicContact CD-CE1 3.93Å; K216-Y218 HydrophobicContact CD-CE2 4.1Å; K216-Y218 VanDerWaalsContact CD-CZ 3.46Å; K216-Y218 WeakPolarHBondContact CD-OH 3.41Å; K216-Y218 PolarHBondContact NZ-OH 2.84Å; K216-Y218 VanDerWaalsContact O-CD2 3.3Å; K216-Y218 WeakPolarHBondContact O-CD2 3.34Å; K216-Y218 PolarHBondContact O-N 3.08Å | ||
| 217 | A | 47.5 | Very low | 58.5 | Low | 74 Ų | 74 | 70 Ų | 70 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | trans | -78.7 | 67.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111 | S215 G219 | S215-A217 PolarHBondContact O-N 3.25Å; A217-G219 PolarHBondContact O-N 3Å | ||
| 218 | Y | 58.3 | Low | 60.5 | Low | 55 Ų | 55 | 64.8 Ų | 64.8 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | trans | -58.6 | 119.7 | -179.2 | -66.9 | -60.6 | 0 | 0 | 0 | 111 | D48 R74 K216 | D48-Y218 VanDerWaalsContact O-CE1 3.3Å; D48-Y218 WeakPolarHBondContact O-CE1 3.42Å; R74-Y218 VanDerWaalsContact NH1-CD1 3.28Å; K216-Y218 HydrophobicContact CB-CD1 4.44Å; K216-Y218 HydrophobicContact CB-CD2 4.13Å; K216-Y218 HydrophobicContact CB-CE1 4.15Å; K216-Y218 HydrophobicContact CB-CE2 3.84Å; K216-Y218 HydrophobicContact CB-CG 4.45Å; K216-Y218 HydrophobicContact CD-CE1 3.93Å; K216-Y218 HydrophobicContact CD-CE2 4.1Å; K216-Y218 VanDerWaalsContact CD-CZ 3.46Å; K216-Y218 WeakPolarHBondContact CD-OH 3.41Å; K216-Y218 PolarHBondContact NZ-OH 2.84Å; K216-Y218 VanDerWaalsContact O-CD2 3.3Å; K216-Y218 WeakPolarHBondContact O-CD2 3.34Å; K216-Y218 PolarHBondContact O-N 3.08Å | ||
| 219 | G | 72.1 | Confident | 62.7 | Low | 43 Ų | 43 | 60.5 Ų | 60.5 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | trans | -72.3 | 168.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R74 A217 Q221 | R74-G219 PolarHBondContact NH2-O 2.96Å; A217-G219 PolarHBondContact O-N 3Å; G219-Q221 PolarHBondContact O-N 3.15Å; G219-Q221 VanDerWaalsContact O-N 3.1Å | ||
| 220 | I | 89.1 | Confident | 64.8 | Low | 11 Ų | 11 | 60.4 Ų | 60.4 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | trans | -66.3 | 110.3 | 176.5 | -46.4 | -176.8 | 0 | 0 | 0 | 108.7 | L149 L152 V155 L179 Y182 | L149-I220 HydrophobicContact CD1-CD1 4.4Å; L149-I220 HydrophobicContact CD2-CD1 4.3Å; L149-I220 HydrophobicContact CG-CD1 3.98Å; L152-I220 HydrophobicContact CD2-CG2 4.39Å; L152-I220 HydrophobicContact CG-CG2 4.16Å; L152-I220 WeakPolarHBondContact O-CG1 3.42Å; V155-I220 HydrophobicContact CG2-CG2 4.05Å; L179-I220 HydrophobicContact CD2-CD1 3.85Å; L179-I220 HydrophobicContact CD2-CG2 4.44Å; Y182-I220 HydrophobicContact CD1-CD1 3.76Å; Y182-I220 HydrophobicContact CD1-CG1 4.36Å; Y182-I220 HydrophobicContact CE1-CD1 3.97Å; Y182-I220 HydrophobicContact CE1-CG1 4.43Å | ||
| 221 | Q | 92.8 | Very high | 67.3 | Low | 3 Ų | 3 | 56.5 Ų | 56.5 | 1% | 0.014 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 135.8 | 179.5 | -168.6 | -179.5 | 17.9 | 0 | 0 | 110.5 | V46 K51 N52 G153 I154 V155 G219 V223 | V46-Q221 PolarHBondContact O-NE2 3.33Å; K51-Q221 PolarHBondContact O-NE2 3Å; N52-Q221 WeakPolarHBondContact OD1-CA 3.49Å; G153-Q221 PolarHBondContact O-N 3.44Å; I154-Q221 CarbonylContact C-O 3.6Å; I154-Q221 WeakPolarHBondContact CA-O 3.15Å; I154-Q221 HydrophobicContact CB-CB 4.38Å; I154-Q221 HydrophobicContact CG1-CB 4.23Å; V155-Q221 PolarHBondContact N-O 3.02Å; G219-Q221 PolarHBondContact O-N 3.15Å; G219-Q221 VanDerWaalsContact O-N 3.1Å; Q221-V223 HydrophobicContact CG-CG2 4.28Å |
| 222 | I | 95.3 | Very high | 70 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.7 | 175.1 | -57.1 | 175.2 | 0 | 0 | 0 | 109 | N52 L53 V155 L176 L179 L180 L239 | N52-I222 WeakPolarHBondContact CA-O 3.07Å; N52-I222 HydrophobicContact CB-CB 4.32Å; N52-I222 VanDerWaalsContact CB-O 3.32Å; N52-I222 WeakPolarHBondContact CB-O 3.5Å; N52-I222 PolarHBondContact OD1-N 2.87Å; L53-I222 PolarHBondContact N-O 3.29Å; V155-I222 WeakPolarHBondContact O-CA 3.46Å; L176-I222 HydrophobicContact CD2-CD1 4.23Å; L176-I222 HydrophobicContact CD2-CG2 3.77Å; L179-I222 HydrophobicContact CB-CD1 4.24Å; L180-I222 HydrophobicContact CD2-CD1 3.99Å; L180-I222 HydrophobicContact CG-CD1 4.29Å; I222-L239 HydrophobicContact CD1-CD2 4.25Å; I222-L239 HydrophobicContact CG2-CD2 4.33Å |
| 223 | V | 96 | Very high | 72.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 105.1 | 177.3 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | L53 Y55 A67 I70 I154 V155 V156 V157 Q221 | L53-V223 HydrophobicContact CB-CG1 4.5Å; L53-V223 HydrophobicContact CB-CG2 4.42Å; L53-V223 HydrophobicContact CD2-CG1 4.28Å; L53-V223 CarbonylContact O-C 3.55Å; L53-V223 WeakPolarHBondContact O-CA 2.9Å; Y55-V223 HydrophobicContact CE1-CG1 3.88Å; A67-V223 HydrophobicContact CB-CG1 4.33Å; I70-V223 HydrophobicContact CD1-CG1 4.49Å; I70-V223 HydrophobicContact CD1-CG2 4.46Å; I70-V223 HydrophobicContact CG2-CG2 4.3Å; I154-V223 HydrophobicContact CD1-CG2 3.94Å; I154-V223 HydrophobicContact CG1-CG2 4.45Å; V155-V223 PolarHBondContact O-N 3.01Å; V156-V223 CarbonylContact C-O 3.54Å; V156-V223 VanDerWaalsContact CA-O 3.3Å; V156-V223 WeakPolarHBondContact CA-O 3.31Å; V156-V223 HydrophobicContact CG2-CB 4.28Å; V157-V223 PolarHBondContact N-O 3.05Å; Q221-V223 HydrophobicContact CG-CG2 4.28Å |
| 224 | G | 94.1 | Very high | 75.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L53 V54 Y55 | L53-G224 PolarHBondContact O-N 3.3Å; V54-G224 CarbonylContact C-O 3.56Å; V54-G224 WeakPolarHBondContact CA-O 3.27Å; Y55-G224 PolarHBondContact N-O 3.06Å |
| 225 | M | 92.4 | Very high | 77.9 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.3 | 176.5 | 62.9 | -174.7 | 148.7 | 0 | 0 | 112.2 | Y55 K63 T64 A67 V156 V157 D158 E159 L160 | Y55-M225 HydrophobicContact CD1-CB 4.14Å; Y55-M225 HydrophobicContact CD2-CB 4.35Å; Y55-M225 HydrophobicContact CE1-CB 3.65Å; Y55-M225 HydrophobicContact CE2-CB 3.87Å; Y55-M225 HydrophobicContact CG-CB 4.48Å; Y55-M225 CarbonylContact O-C 3.56Å; Y55-M225 WeakPolarHBondContact O-CA 3.44Å; Y55-M225 PolarHBondContact OH-SD 2.81Å; Y55-M225 VanDerWaalsContact OH-SD 3.4Å; K63-M225 HydrophobicContact CB-SD 4.08Å; K63-M225 HydrophobicContact CD-CB 4.24Å; T64-M225 HydrophobicContact CG2-CE 3.93Å; T64-M225 HydrophobicContact CG2-SD 4.48Å; A67-M225 HydrophobicContact CB-CE 4.21Å; A67-M225 HydrophobicContact CB-SD 4.48Å; V156-M225 HydrophobicContact CG1-CE 3.7Å; V157-M225 PolarHBondContact O-N 3.36Å; D158-M225 HydrophobicContact CB-CE 3.71Å; D158-M225 HydrophobicContact CB-CG 4.42Å; D158-M225 WeakPolarHBondContact OD1-CG 3.36Å; E159-M225 CarbonylContact C-O 3.6Å; E159-M225 WeakPolarHBondContact CA-O 3.46Å; E159-M225 PolarHBondContact N-O 2.9Å; E159-M225 VanDerWaalsContact N-O 3.1Å; L160-M225 PolarHBondContact N-O 2.95Å |
| 226 | S | 88 | Confident | 80.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 175.3 | -172 | -156.9 | 0 | 0 | 0 | 0 | 114.9 | Y55 A57 K63 H161 | Y55-S226 PolarHBondContact O-N 2.97Å; A57-S226 PolarHBondContact N-O 3.41Å; K63-S226 VanDerWaalsContact CD-O 3.25Å; K63-S226 WeakPolarHBondContact CD-O 3.18Å; K63-S226 VanDerWaalsContact CE-O 3.27Å; K63-S226 WeakPolarHBondContact CE-O 3.48Å; K63-S226 PolarHBondContact NZ-O 3.36Å; H161-S226 WeakPolarHBondContact CB-OG 3.46Å; H161-S226 PolarHBondContact N-OG 3.09Å; H161-S226 PolarHBondContact ND1-OG 2.66Å |
| 227 | A | 76.8 | Confident | 82.8 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -83.4 | 173 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S56 L229 M530 | S56-A227 PolarHBondContact OG-O 2.83Å; A227-L229 PolarHBondContact O-N 3.18Å; A227-M530 HydrophobicContact CB-CE 4.17Å |
| 228 | T | 73.7 | Confident | 84.8 | Confident | 65 Ų | 65 | 32 Ų | 32 | 40% | 0.399 | 18% | 0.177 | S | C | . | . | trans | -64.5 | 87.3 | -172.5 | -43.9 | 0 | 0 | 0 | 0 | 113.9 | S56 M530 | S56-T228 VanDerWaalsContact OG-CA 3.31Å; S56-T228 WeakPolarHBondContact OG-CA 3.42Å; S56-T228 PolarHBondContact OG-N 2.9Å; T228-M530 VanDerWaalsContact O-CE 3.23Å; T228-M530 WeakPolarHBondContact O-CE 3.09Å | ||
| 229 | L | 76.5 | Confident | 86.4 | Confident | 9 Ų | 9 | 29.4 Ų | 29.4 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | trans | -85.7 | 140.4 | 177.8 | -78.2 | 171.5 | 0 | 0 | 0 | 112.6 | H161 A227 L232 L235 M530 V533 | H161-L229 HydrophobicContact CB-CD1 3.86Å; H161-L229 HydrophobicContact CB-CD2 3.89Å; H161-L229 HydrophobicContact CB-CG 4.07Å; A227-L229 PolarHBondContact O-N 3.18Å; L229-L232 HydrophobicContact CB-CB 4.18Å; L229-L232 HydrophobicContact CB-CD1 4.15Å; L229-L232 HydrophobicContact CD1-CD1 3.82Å; L229-L235 HydrophobicContact CD1-CD1 3.63Å; L229-M530 HydrophobicContact CD2-CE 3.63Å; L229-M530 HydrophobicContact CD2-SD 4.11Å; L229-M530 HydrophobicContact CG-CE 3.92Å; L229-V533 HydrophobicContact CD1-CG2 4.37Å; L229-V533 HydrophobicContact CD2-CG2 3.49Å; L229-V533 VanDerWaalsContact CD2-CG2 3.49Å | ||
| 230 | P | 77.1 | Confident | 87.2 | Confident | 84 Ų | 84 | 32.1 Ų | 32.1 | 55% | 0.545 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -33 | 178.4 | 31.7 | -37 | 0 | 0 | 0 | 112.9 | P532 | P230-P532 HydrophobicContact CG-CB 4.24Š|
| 231 | N | 84.7 | Confident | 87.3 | Confident | 24 Ų | 24 | 32.1 Ų | 32.1 | 13% | 0.128 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 29.9 | -177.7 | 68.4 | -38.5 | 0 | 0 | 0 | 113.5 | K233 S234 L235 P532 V533 | N231-K233 PolarHBondContact O-N 3.31Å; N231-S234 WeakPolarHBondContact O-CB 3.23Å; N231-S234 PolarHBondContact O-N 3.44Å; N231-L235 PolarHBondContact O-N 2.69Å; N231-P532 HydrophobicContact CB-CB 4.23Å; N231-P532 WeakPolarHBondContact OD1-CA 3.08Å; N231-V533 PolarHBondContact ND2-N 3.18Å; N231-V533 PolarHBondContact ND2-O 2.94Å; N231-V533 PolarHBondContact OD1-N 2.7Å |
| 232 | L | 86.4 | Confident | 87.4 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.5 | -33 | 179 | -163.5 | 78.5 | 0 | 0 | 0 | 112.8 | V54 S56 L229 S234 L235 G236 V243 I245 | V54-L232 HydrophobicContact CG1-CD1 3.61Å; V54-L232 HydrophobicContact CG1-CD2 4.25Å; V54-L232 HydrophobicContact CG1-CG 3.76Å; S56-L232 VanDerWaalsContact CB-CD2 3.44Å; L229-L232 HydrophobicContact CB-CB 4.18Å; L229-L232 HydrophobicContact CB-CD1 4.15Å; L229-L232 HydrophobicContact CD1-CD1 3.82Å; L232-S234 VanDerWaalsContact C-N 3.32Å; L232-S234 PolarHBondContact O-N 2.91Å; L232-L235 HydrophobicContact CD1-CD1 4.49Å; L232-L235 PolarHBondContact O-N 2.81Å; L232-G236 PolarHBondContact O-N 2.56Å; L232-V243 HydrophobicContact CD2-CG1 3.81Å; L232-V243 HydrophobicContact CG-CG1 4.14Å; L232-I245 HydrophobicContact CB-CD1 4.33Å; L232-I245 HydrophobicContact CD2-CD1 4Å; L232-I245 HydrophobicContact CD2-CG1 3.62Å |
| 233 | K | 85.9 | Confident | 87.3 | Confident | 160 Ų | 160 | 36.9 Ų | 36.9 | 70% | 0.696 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -58.9 | -41.1 | 174.6 | -71.2 | -172.1 | 174.5 | -172.8 | 0 | 112.4 | N231 G236 Q237 | N231-K233 PolarHBondContact O-N 3.31Å; K233-G236 PolarHBondContact O-N 2.84Å; K233-Q237 WeakPolarHBondContact O-CB 3.38Å; K233-Q237 PolarHBondContact O-N 2.87Å |
| 234 | S | 85 | Confident | 87.1 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 28% | 0.28 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67 | -37.1 | 177.6 | -47.6 | 0 | 0 | 0 | 0 | 112.1 | N231 L232 Q237 W238 | N231-S234 WeakPolarHBondContact O-CB 3.23Å; N231-S234 PolarHBondContact O-N 3.44Å; L232-S234 VanDerWaalsContact C-N 3.32Å; L232-S234 PolarHBondContact O-N 2.91Å; S234-Q237 PolarHBondContact O-N 2.92Å; S234-W238 WeakPolarHBondContact O-CB 3.33Å; S234-W238 PolarHBondContact O-N 3.37Å |
| 235 | L | 89 | Confident | 87 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 173.1 | -70.9 | 168.1 | 0 | 0 | 0 | 111.9 | I163 L229 N231 L232 W238 L239 V533 L601 | I163-L235 HydrophobicContact CG2-CD2 4.26Å; L229-L235 HydrophobicContact CD1-CD1 3.63Å; N231-L235 PolarHBondContact O-N 2.69Å; L232-L235 HydrophobicContact CD1-CD1 4.49Å; L232-L235 PolarHBondContact O-N 2.81Å; L235-W238 HydrophobicContact CD2-CE3 4.1Å; L235-W238 HydrophobicContact CD2-CZ3 4.41Å; L235-W238 PolarHBondContact O-N 3.05Å; L235-L239 WeakPolarHBondContact O-CB 3.22Å; L235-L239 WeakPolarHBondContact O-CG 3.16Å; L235-L239 PolarHBondContact O-N 2.86Å; L235-L239 VanDerWaalsContact O-N 3.1Å; L235-V533 HydrophobicContact CD1-CG1 4.47Å; L235-V533 HydrophobicContact CD2-CG1 4.36Å; L235-L601 HydrophobicContact CD2-CD1 3.82Å; L235-L601 HydrophobicContact CD2-CD2 3.67Å; L235-L601 HydrophobicContact CD2-CG 4.41Å |
| 236 | G | 89.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -45 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L232 K233 W238 L239 D240 A241 | L232-G236 PolarHBondContact O-N 2.56Å; K233-G236 PolarHBondContact O-N 2.84Å; G236-W238 PolarHBondContact O-N 2.93Å; G236-L239 CarbonylContact O-C 3.58Å; G236-L239 PolarHBondContact O-N 2.81Å; G236-D240 PolarHBondContact O-N 3.27Å; G236-A241 PolarHBondContact O-N 2.86Å |
| 237 | Q | 88.4 | Confident | 86.5 | Confident | 152 Ų | 152 | 48.2 Ų | 48.2 | 71% | 0.71 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 176.2 | -172.7 | 178.5 | 5.4 | 0 | 0 | 112.6 | K233 S234 | K233-Q237 WeakPolarHBondContact O-CB 3.38Å; K233-Q237 PolarHBondContact O-N 2.87Å; S234-Q237 PolarHBondContact O-N 2.92Å |
| 238 | W | 90.7 | Very high | 86.9 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.011 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 173.7 | 167.6 | 55.2 | 0 | 0 | 0 | 112.3 | I163 E173 L176 L180 S234 L235 G236 S599 T600 L601 T604 | I163-W238 HydrophobicContact CD1-CE3 4.42Å; I163-W238 HydrophobicContact CD1-CH2 3.31Å; I163-W238 HydrophobicContact CD1-CZ2 4.42Å; I163-W238 HydrophobicContact CD1-CZ3 3.31Å; E173-W238 HydrophobicContact CG-CH2 4.49Å; E173-W238 HydrophobicContact CG-CZ2 4.36Å; L176-W238 HydrophobicContact CB-CH2 3.65Å; L176-W238 HydrophobicContact CB-CZ2 4.08Å; L176-W238 HydrophobicContact CD1-CH2 3.83Å; L176-W238 HydrophobicContact CD1-CZ3 4.1Å; L176-W238 HydrophobicContact CG-CH2 4.4Å; L180-W238 HydrophobicContact CD1-CD2 4.49Å; L180-W238 HydrophobicContact CD1-CZ2 4.26Å; L180-W238 WeakPolarHBondContact CD1-O 3.4Å; S234-W238 WeakPolarHBondContact O-CB 3.33Å; S234-W238 PolarHBondContact O-N 3.37Å; L235-W238 HydrophobicContact CD2-CE3 4.1Å; L235-W238 HydrophobicContact CD2-CZ3 4.41Å; L235-W238 PolarHBondContact O-N 3.05Å; G236-W238 PolarHBondContact O-N 2.93Å; W238-S599 PolarHBondContact NE1-O 3.38Å; W238-T600 VanDerWaalsContact NE1-C 3.26Å; W238-L601 HydrophobicContact CB-CD1 4.12Å; W238-L601 HydrophobicContact CD2-CB 4.01Å; W238-L601 HydrophobicContact CD2-CD1 4.02Å; W238-L601 HydrophobicContact CE3-CB 4.28Å; W238-L601 HydrophobicContact CE3-CD1 4.04Å; W238-L601 HydrophobicContact CG-CB 4.45Å; W238-L601 HydrophobicContact CG-CD1 4.05Å; W238-L601 HydrophobicContact CZ2-CB 4.3Å; W238-T604 HydrophobicContact CB-CG2 4.31Å |
| 239 | L | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.7 | -177.5 | -67.3 | 170.9 | 0 | 0 | 0 | 115 | N52 V54 L160 L176 L180 I222 L235 G236 A241 | N52-L239 PolarHBondContact ND2-O 3.07Å; V54-L239 HydrophobicContact CG2-CB 4.49Å; V54-L239 HydrophobicContact CG2-CD1 3.63Å; L160-L239 HydrophobicContact CD2-CD1 4.31Å; L176-L239 HydrophobicContact CB-CD2 4.24Å; L176-L239 HydrophobicContact CD1-CD2 4.32Å; L180-L239 HydrophobicContact CD1-CD2 4.12Å; L180-L239 HydrophobicContact CG-CD2 4.44Å; I222-L239 HydrophobicContact CD1-CD2 4.25Å; I222-L239 HydrophobicContact CG2-CD2 4.33Å; L235-L239 WeakPolarHBondContact O-CB 3.22Å; L235-L239 WeakPolarHBondContact O-CG 3.16Å; L235-L239 PolarHBondContact O-N 2.86Å; L235-L239 VanDerWaalsContact O-N 3.1Å; G236-L239 CarbonylContact O-C 3.58Å; G236-L239 PolarHBondContact O-N 2.81Å; L239-A241 VanDerWaalsContact C-N 3.28Å; L239-A241 HydrophobicContact CB-CB 4.02Å; L239-A241 PolarHBondContact O-N 2.88Å |
| 240 | D | 88.6 | Confident | 87.2 | Confident | 100 Ų | 100 | 51.4 Ų | 51.4 | 54% | 0.535 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 49.7 | -166.7 | -170.9 | 15.9 | 0 | 0 | 0 | 113 | K51 G236 | K51-D240 IonicContact NZ-OD1 3.28Å; K51-D240 PolarHBondContact NZ-OD1 2.88Å; G236-D240 PolarHBondContact O-N 3.27Å |
| 241 | A | 91.8 | Very high | 87.5 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 8% | 0.083 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N52 V54 G236 L239 | N52-A241 HydrophobicContact CB-CB 3.6Å; N52-A241 CarbonylContact O-C 3.58Å; N52-A241 VanDerWaalsContact O-CA 3.28Å; N52-A241 WeakPolarHBondContact O-CA 2.72Å; V54-A241 HydrophobicContact CB-CB 4.22Å; V54-A241 HydrophobicContact CG2-CB 3.63Å; G236-A241 PolarHBondContact O-N 2.86Å; L239-A241 VanDerWaalsContact C-N 3.28Å; L239-A241 HydrophobicContact CB-CB 4.02Å; L239-A241 PolarHBondContact O-N 2.88Å |
| 242 | E | 94 | Very high | 87.5 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 141.9 | 168 | -64.6 | -50.5 | 128.5 | 0 | 0 | 110.5 | L43 V46 K51 N52 V54 | L43-E242 HydrophobicContact CD1-CB 4.27Å; V46-E242 HydrophobicContact CG2-CB 4.19Å; V46-E242 HydrophobicContact CG2-CG 4.24Å; K51-E242 HydrophobicContact CB-CG 4.33Å; K51-E242 HydrophobicContact CD-CG 4.22Å; K51-E242 VanDerWaalsContact CE-OE1 3.24Å; K51-E242 WeakPolarHBondContact CE-OE1 3.48Å; K51-E242 HydrophobicContact CG-CG 4.28Å; K51-E242 IonicContact NZ-OE1 2.66Å; K51-E242 PolarHBondContact NZ-OE1 2.93Å; K51-E242 VanDerWaalsContact NZ-OE1 3.15Å; N52-E242 PolarHBondContact O-N 2.9Å; V54-E242 PolarHBondContact N-O 2.93Å |
| 243 | V | 92.5 | Very high | 87.4 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 30% | 0.297 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 115 | -168.8 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | V54 L232 I245 | V54-V243 WeakPolarHBondContact O-CA 3.25Å; L232-V243 HydrophobicContact CD2-CG1 3.81Å; L232-V243 HydrophobicContact CG-CG1 4.14Å; V243-I245 HydrophobicContact CG1-CD1 4.45Å; V243-I245 HydrophobicContact CG1-CG1 4.29Å |
| 244 | Y | 93.5 | Very high | 87.5 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 13% | 0.125 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.5 | 175.8 | -167.2 | -88.8 | 0 | 0 | 0 | 111.9 | W36 E39 C40 L43 V54 Y55 S56 T246 | W36-Y244 WeakPolarHBondContact CA-OH 3.22Å; W36-Y244 HydrophobicContact CB-CE1 4.15Å; W36-Y244 WeakPolarHBondContact CB-OH 3.42Å; W36-Y244 HydrophobicContact CD2-CE1 4.45Å; W36-Y244 HydrophobicContact CE3-CD1 4.05Å; W36-Y244 AromaticContact CE3-CE1 3.63Å; W36-Y244 HydrophobicContact CE3-CE1 3.63Å; W36-Y244 HydrophobicContact CZ3-CD1 4.43Å; W36-Y244 HydrophobicContact CZ3-CE1 4.43Å; E39-Y244 HydrophobicContact CB-CE2 3.82Å; E39-Y244 PolarHBondContact OE2-OH 3.04Å; C40-Y244 HydrophobicContact CB-CD1 4.02Å; C40-Y244 HydrophobicContact CB-CD2 4.17Å; C40-Y244 HydrophobicContact CB-CE1 4.37Å; C40-Y244 HydrophobicContact CB-CG 3.93Å; L43-Y244 HydrophobicContact CD1-CD2 4.31Å; V54-Y244 PolarHBondContact O-N 2.87Å; V54-Y244 VanDerWaalsContact O-N 3.08Å; Y55-Y244 CarbonylContact C-O 3.58Å; Y55-Y244 VanDerWaalsContact CA-O 3.29Å; Y55-Y244 WeakPolarHBondContact CA-O 3.5Å; S56-Y244 PolarHBondContact N-O 3.12Å; Y244-T246 HydrophobicContact CE1-CG2 3.95Å |
| 245 | I | 90.3 | Very high | 87.7 | Confident | 81 Ų | 81 | 46.4 Ų | 46.4 | 42% | 0.415 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 124.9 | -180 | -55.7 | 179.8 | 0 | 0 | 0 | 109.4 | L232 V243 | L232-I245 HydrophobicContact CB-CD1 4.33Å; L232-I245 HydrophobicContact CD2-CD1 4Å; L232-I245 HydrophobicContact CD2-CG1 3.62Å; V243-I245 HydrophobicContact CG1-CD1 4.45Å; V243-I245 HydrophobicContact CG1-CG1 4.29Å |
| 246 | T | 88.1 | Confident | 87.7 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 13% | 0.129 | 25% | 0.249 | C | C | . | . | trans | -134.1 | 155 | 171.5 | -173.9 | 0 | 0 | 0 | 0 | 112.4 | W36 S56 A57 Y244 F248 | W36-T246 HydrophobicContact CB-CG2 4.27Å; W36-T246 HydrophobicContact CD2-CG2 3.73Å; W36-T246 HydrophobicContact CE3-CG2 3.8Å; W36-T246 HydrophobicContact CG-CG2 3.97Å; W36-T246 HydrophobicContact CZ3-CG2 4.42Å; S56-T246 PolarHBondContact O-N 2.93Å; A57-T246 HydrophobicContact CB-CG2 3.52Å; Y244-T246 HydrophobicContact CE1-CG2 3.95Å; T246-F248 HydrophobicContact CG2-CB 4.44Å; T246-F248 WeakPolarHBondContact OG1-CB 3.44Å; T246-F248 PolarHBondContact OG1-N 3.35Å; T246-F248 VanDerWaalsContact OG1-N 3.08Å | ||
| 247 | N | 82.6 | Confident | 87.6 | Confident | 107 Ų | 107 | 47.7 Ų | 47.7 | 57% | 0.572 | 25% | 0.249 | S | C | * | . | trans | -107.6 | 7.5 | 170 | -73.1 | -67.3 | 0 | 0 | 0 | 112.2 | ||||
| 248 | F | 85.6 | Confident | 87.5 | Confident | 76 Ų | 76 | 40.7 Ų | 40.7 | 33% | 0.333 | 22% | 0.216 | S | C | . | . | trans | -57.5 | 139.7 | -178.8 | 177.5 | -92.6 | 0 | 0 | 0 | 112.4 | F34 W36 P58 A61 T246 P250 | F34-F248 HydrophobicContact CB-CE1 4.16Å; F34-F248 HydrophobicContact CB-CZ 4.46Å; F34-F248 AromaticContact CD1-CE1 3.68Å; F34-F248 HydrophobicContact CD1-CE1 3.68Å; F34-F248 AromaticContact CD1-CZ 3.64Å; F34-F248 HydrophobicContact CD1-CZ 3.64Å; F34-F248 AromaticContact CD2-CE1 3.82Å; F34-F248 HydrophobicContact CD2-CE1 3.82Å; F34-F248 AromaticContact CE1-CE1 3.95Å; F34-F248 HydrophobicContact CE1-CE1 3.95Å; F34-F248 AromaticContact CE1-CZ 3.96Å; F34-F248 HydrophobicContact CE1-CZ 3.96Å; F34-F248 HydrophobicContact CE2-CE1 4.08Å; F34-F248 HydrophobicContact CG-CD1 4.49Å; F34-F248 AromaticContact CG-CE1 3.62Å; F34-F248 HydrophobicContact CG-CE1 3.62Å; F34-F248 HydrophobicContact CG-CZ 4.01Å; F34-F248 HydrophobicContact CZ-CE1 4.14Å; W36-F248 AromaticContact CD1-CD1 3.37Å; W36-F248 AromaticContact CD1-CG 3.77Å; W36-F248 HydrophobicContact CG-CB 4.47Å; W36-F248 AromaticContact NE1-CD1 3.61Å; P58-F248 WeakPolarHBondContact CD-O 3.44Å; P58-F248 WeakPolarHBondContact CG-O 3.31Å; A61-F248 WeakPolarHBondContact CB-O 3.32Å; T246-F248 HydrophobicContact CG2-CB 4.44Å; T246-F248 WeakPolarHBondContact OG1-CB 3.44Å; T246-F248 PolarHBondContact OG1-N 3.35Å; T246-F248 VanDerWaalsContact OG1-N 3.08Å; F248-P250 HydrophobicContact CE1-CB 4.39Å | ||
| 249 | R | 78.9 | Confident | 87.1 | Confident | 41 Ų | 41 | 41 Ų | 41 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | trans | -147.2 | 128 | 175.3 | -158.6 | 178.2 | -174.3 | -106.3 | 5.1 | 109.7 | P58 S60 V251 G497 A499 | P58-R249 HydrophobicContact CB-CG 4.48Å; S60-R249 VanDerWaalsContact OG-CG 3.27Å; S60-R249 WeakPolarHBondContact OG-CG 3.48Å; S60-R249 PolarHBondContact OG-NE 2.94Å; R249-V251 VanDerWaalsContact C-N 3.26Å; R249-V251 WeakPolarHBondContact CD-O 3.13Å; R249-V251 WeakPolarHBondContact CG-O 3.22Å; R249-V251 PolarHBondContact NH1-O 3.49Å; R249-V251 PolarHBondContact O-N 3.3Å; R249-G497 PolarHBondContact NH2-O 3.34Å; R249-A499 VanDerWaalsContact CZ-O 3.27Å; R249-A499 PolarHBondContact NH1-O 2.94Å; R249-A499 PolarHBondContact NH2-O 3.37Å | ||
| 250 | P | 78 | Confident | 86.1 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -72.3 | -15.9 | -175.9 | 28.2 | -35.3 | 0 | 0 | 0 | 114.1 | F34 S60 F248 Q502 | F34-P250 HydrophobicContact CE1-CB 4.25Å; F34-P250 HydrophobicContact CZ-CB 3.82Å; F34-P250 HydrophobicContact CZ-CG 4.18Å; S60-P250 WeakPolarHBondContact O-CD 3.38Å; S60-P250 WeakPolarHBondContact O-CG 3.48Å; F248-P250 HydrophobicContact CE1-CB 4.39Å; P250-Q502 HydrophobicContact CB-CG 4.34Å; P250-Q502 HydrophobicContact CG-CG 4.15Å |
| 251 | V | 82.7 | Confident | 85.2 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -124.4 | 123.3 | 170 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | R249 Q502 D505 | R249-V251 VanDerWaalsContact C-N 3.26Å; R249-V251 WeakPolarHBondContact CD-O 3.13Å; R249-V251 WeakPolarHBondContact CG-O 3.22Å; R249-V251 PolarHBondContact NH1-O 3.49Å; R249-V251 PolarHBondContact O-N 3.3Å; V251-Q502 HydrophobicContact CG2-CB 4.39Å; V251-D505 WeakPolarHBondContact CG1-O 3.35Å |
| 252 | P | 83.8 | Confident | 83.6 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | trans | -65.6 | 140.2 | -179 | 26.2 | -33.6 | 0 | 0 | 0 | 111.1 | G508 | P252-G508 PolarHBondContact O-N 3.38Š| ||
| 253 | L | 85.8 | Confident | 81.9 | Confident | 49 Ų | 49 | 51.2 Ų | 51.2 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130 | 179.6 | 180 | 61.5 | 0 | 0 | 0 | 110 | E255 S496 A499 | L253-E255 HydrophobicContact CD1-CG 4.45Å; L253-E255 HydrophobicContact CD2-CG 3.87Å; L253-E255 HydrophobicContact CG-CG 3.82Å; L253-S496 WeakPolarHBondContact CD1-O 3.05Å; L253-A499 HydrophobicContact CD1-CB 3.69Å |
| 254 | T | 87.5 | Confident | 80.2 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124 | 168.5 | -42.6 | 0 | 0 | 0 | 0 | 109.1 | F256 G508 S510 | T254-F256 HydrophobicContact CG2-CD2 4.24Å; T254-F256 HydrophobicContact CG2-CE1 4.31Å; T254-F256 HydrophobicContact CG2-CE2 3.47Å; T254-F256 VanDerWaalsContact CG2-CE2 3.47Å; T254-F256 HydrophobicContact CG2-CZ 3.52Å; T254-G508 PolarHBondContact N-O 2.92Å; T254-S510 PolarHBondContact O-N 3.41Å |
| 255 | E | 88.8 | Confident | 78.4 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 9% | 0.093 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.5 | -177 | -54.7 | -179.3 | 73.4 | 0 | 0 | 110 | L253 I272 Y492 K493 S496 | L253-E255 HydrophobicContact CD1-CG 4.45Å; L253-E255 HydrophobicContact CD2-CG 3.87Å; L253-E255 HydrophobicContact CG-CG 3.82Å; E255-I272 HydrophobicContact CB-CB 4.22Å; E255-I272 HydrophobicContact CB-CD1 3.91Å; E255-I272 HydrophobicContact CB-CG1 4.38Å; E255-I272 PolarHBondContact O-N 2.77Å; E255-Y492 VanDerWaalsContact OE1-CE1 3.3Å; E255-Y492 WeakPolarHBondContact OE1-CE1 3.34Å; E255-Y492 PolarHBondContact OE1-OH 2.91Å; E255-K493 IonicContact OE1-NZ 2.76Å; E255-K493 PolarHBondContact OE1-NZ 2.97Å; E255-K493 IonicContact OE2-NZ 3.8Å; E255-K493 PolarHBondContact OE2-NZ 3.15Å; E255-S496 PolarHBondContact OE1-OG 2.78Å |
| 256 | F | 89.3 | Confident | 76.9 | Confident | 27 Ų | 27 | 60 Ų | 60 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 154.3 | -178.1 | -63 | -84.6 | 0 | 0 | 0 | 111.2 | T254 Y270 K271 S510 I511 L512 | T254-F256 HydrophobicContact CG2-CD2 4.24Å; T254-F256 HydrophobicContact CG2-CE1 4.31Å; T254-F256 HydrophobicContact CG2-CE2 3.47Å; T254-F256 VanDerWaalsContact CG2-CE2 3.47Å; T254-F256 HydrophobicContact CG2-CZ 3.52Å; F256-Y270 CarbonylContact C-O 3.48Å; F256-Y270 VanDerWaalsContact CA-O 3.26Å; F256-Y270 WeakPolarHBondContact CA-O 3.37Å; F256-K271 HydrophobicContact CD1-CB 4.11Å; F256-K271 HydrophobicContact CE1-CB 4.12Å; F256-K271 HydrophobicContact CE1-CG 4.34Å; F256-S510 PolarHBondContact N-O 3.42Å; F256-I511 HydrophobicContact CB-CG1 4.47Å; F256-I511 WeakPolarHBondContact O-CA 3.46Å; F256-L512 PolarHBondContact O-N 3.4Å |
| 257 | I | 88 | Confident | 76 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137.1 | 164.9 | -54.2 | 173.2 | 0 | 0 | 0 | 107.7 | F269 Y270 I272 L291 L512 C514 V522 I526 | I257-F269 WeakPolarHBondContact O-CA 3.49Å; I257-Y270 PolarHBondContact N-O 2.78Å; I257-Y270 PolarHBondContact O-N 2.95Å; I257-I272 HydrophobicContact CD1-CD1 4.5Å; I257-I272 HydrophobicContact CD1-CG1 4.39Å; I257-I272 HydrophobicContact CG1-CD1 4.12Å; I257-I272 HydrophobicContact CG1-CG1 4.15Å; I257-L291 HydrophobicContact CD1-CD1 3.91Å; I257-L291 HydrophobicContact CD1-CD2 3.48Å; I257-L291 VanDerWaalsContact CD1-CD2 3.48Å; I257-L291 HydrophobicContact CD1-CG 4.38Å; I257-L291 HydrophobicContact CG1-CD2 4.37Å; I257-L512 CarbonylContact C-O 3.41Å; I257-L512 VanDerWaalsContact CA-O 3.3Å; I257-L512 WeakPolarHBondContact CA-O 3.48Å; I257-L512 WeakPolarHBondContact CG2-O 2.99Å; I257-C514 VanDerWaalsContact CG2-SG 3.58Å; I257-V522 HydrophobicContact CD1-CG1 3.59Å; I257-V522 HydrophobicContact CG1-CG1 4.26Å; I257-I526 HydrophobicContact CD1-CD1 3.76Å |
| 258 | L | 85.9 | Confident | 75.7 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 111.4 | 172.2 | 179.7 | 56 | 0 | 0 | 0 | 109.6 | N267 F269 L320 I511 L512 L513 C514 | L258-N267 HydrophobicContact CD1-CB 4.12Å; L258-F269 HydrophobicContact CB-CD1 4.3Å; L258-F269 HydrophobicContact CB-CE1 4.09Å; L258-F269 HydrophobicContact CD1-CD1 3.99Å; L258-F269 HydrophobicContact CD1-CD2 3.7Å; L258-F269 HydrophobicContact CD1-CE1 3.86Å; L258-F269 HydrophobicContact CD1-CE2 3.55Å; L258-F269 HydrophobicContact CD1-CG 3.92Å; L258-F269 HydrophobicContact CD1-CZ 3.64Å; L258-F269 HydrophobicContact CD2-CE1 4.16Å; L258-F269 HydrophobicContact CD2-CE2 4.47Å; L258-F269 HydrophobicContact CD2-CZ 3.87Å; L258-F269 HydrophobicContact CG-CE1 4.25Å; L258-F269 HydrophobicContact CG-CZ 4.22Å; L258-L320 HydrophobicContact CD2-CD1 3.99Å; L258-I511 HydrophobicContact CB-CG2 3.92Å; L258-L512 PolarHBondContact N-O 3.22Å; L258-L513 HydrophobicContact CB-CG 4.4Å; L258-L513 HydrophobicContact CD2-CG 4.35Å; L258-L513 WeakPolarHBondContact O-CA 3.44Å; L258-C514 PolarHBondContact O-N 3.29Å |
| 259 | S | 82.9 | Confident | 75.4 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 111.7 | 173.4 | -167.2 | 0 | 0 | 0 | 0 | 109.3 | N267 Q268 C514 | S259-N267 WeakPolarHBondContact O-CA 3.28Å; S259-Q268 PolarHBondContact N-O 3.1Å; S259-Q268 PolarHBondContact O-N 3.05Å; S259-Q268 VanDerWaalsContact O-N 3.08Å; S259-C514 WeakPolarHBondContact CA-O 3.37Å |
| 260 | C | 70.4 | Confident | 75.6 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 8% | 0.081 | 31% | 0.314 | C | S | . | . | trans | -104.4 | 126.8 | -179 | -52.2 | 0 | 0 | 0 | 0 | 110.5 | C514 P516 | C260-C514 PolarHBondContact N-O 3.25Å; C260-P516 WeakPolarHBondContact O-CD 3.35Å | ||
| 261 | D | 68.8 | Low | 75.8 | Confident | 57 Ų | 57 | 62 Ų | 62 | 31% | 0.305 | 32% | 0.318 | S | S | . | . | trans | -129.1 | 102.3 | 165.5 | -171.4 | -5.1 | 0 | 0 | 0 | 111.4 | R263 S264 K265 P516 | D261-R263 PolarHBondContact O-N 3.31Å; D261-R263 WeakPolarHBondContact OD1-CB 3.48Å; D261-R263 PolarHBondContact OD1-N 3.46Å; D261-S264 PolarHBondContact O-N 3.43Å; D261-S264 VanDerWaalsContact O-N 3.16Å; D261-S264 PolarHBondContact O-OG 2.93Å; D261-K265 PolarHBondContact O-N 3.39Å; D261-K265 VanDerWaalsContact O-N 3.15Å; D261-P516 HydrophobicContact CB-CG 4.13Å | ||
| 262 | A | 58.9 | Low | 75.7 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -13.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 263 | R | 57.8 | Low | 75.2 | Confident | 236 Ų | 236 | 61.2 Ų | 61.2 | 89% | 0.891 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -30.2 | 175.5 | -66.8 | -176.8 | 172.1 | -174.7 | -3.4 | 113.9 | D261 | D261-R263 PolarHBondContact O-N 3.31Å; D261-R263 WeakPolarHBondContact OD1-CB 3.48Å; D261-R263 PolarHBondContact OD1-N 3.46Å |
| 264 | S | 57.1 | Low | 73.9 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -19.2 | -178.3 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | D261 T266 | D261-S264 PolarHBondContact O-N 3.43Å; D261-S264 VanDerWaalsContact O-N 3.16Å; D261-S264 PolarHBondContact O-OG 2.93Å; S264-T266 PolarHBondContact O-N 3.46Å; S264-T266 PolarHBondContact OG-N 2.99Å; S264-T266 VanDerWaalsContact OG-N 3.08Å; S264-T266 PolarHBondContact OG-OG1 3.34Å |
| 265 | K | 56 | Low | 72 | Confident | 197 Ų | 197 | 67.3 Ų | 67.3 | 86% | 0.857 | 34% | 0.34 | S | S | * | . | trans | 59.7 | 13.1 | -166.5 | -58.2 | -171 | 174 | -169.2 | 0 | 114.4 | D261 | D261-K265 PolarHBondContact O-N 3.39Å; D261-K265 VanDerWaalsContact O-N 3.15Å | ||
| 266 | T | 58.6 | Low | 69.4 | Low | 98 Ų | 98 | 70.3 Ų | 70.3 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | trans | -99.4 | 98.2 | 178 | 62.6 | 0 | 0 | 0 | 0 | 110.7 | S264 | S264-T266 PolarHBondContact O-N 3.46Å; S264-T266 PolarHBondContact OG-N 2.99Å; S264-T266 VanDerWaalsContact OG-N 3.08Å; S264-T266 PolarHBondContact OG-OG1 3.34Å | ||
| 267 | N | 68.9 | Low | 66.8 | Low | 91 Ų | 91 | 74.3 Ų | 74.3 | 49% | 0.487 | 40% | 0.399 | S | S | . | . | trans | -85.7 | 127.8 | 171.3 | -73.2 | -14.9 | 0 | 0 | 0 | 109.8 | L258 S259 | L258-N267 HydrophobicContact CD1-CB 4.12Å; S259-N267 WeakPolarHBondContact O-CA 3.28Å | ||
| 268 | Q | 76.5 | Confident | 64.1 | Low | 100 Ų | 100 | 84.2 Ų | 84.2 | 47% | 0.467 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.3 | -179.1 | -166.5 | 165.5 | 16.7 | 0 | 0 | 111.5 | S259 Y270 | S259-Q268 PolarHBondContact N-O 3.1Å; S259-Q268 PolarHBondContact O-N 3.05Å; S259-Q268 VanDerWaalsContact O-N 3.08Å; Q268-Y270 HydrophobicContact CB-CE2 4.34Å; Q268-Y270 HydrophobicContact CG-CE2 4.11Å; Q268-Y270 PolarHBondContact OE1-OH 3.2Å |
| 269 | F | 78.5 | Confident | 61.4 | Low | 14 Ų | 14 | 91.1 Ų | 91.1 | 6% | 0.061 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 139.3 | 176.3 | -78.7 | -89 | 0 | 0 | 0 | 111.5 | I257 L258 A294 L297 I511 | I257-F269 WeakPolarHBondContact O-CA 3.49Å; L258-F269 HydrophobicContact CB-CD1 4.3Å; L258-F269 HydrophobicContact CB-CE1 4.09Å; L258-F269 HydrophobicContact CD1-CD1 3.99Å; L258-F269 HydrophobicContact CD1-CD2 3.7Å; L258-F269 HydrophobicContact CD1-CE1 3.86Å; L258-F269 HydrophobicContact CD1-CE2 3.55Å; L258-F269 HydrophobicContact CD1-CG 3.92Å; L258-F269 HydrophobicContact CD1-CZ 3.64Å; L258-F269 HydrophobicContact CD2-CE1 4.16Å; L258-F269 HydrophobicContact CD2-CE2 4.47Å; L258-F269 HydrophobicContact CD2-CZ 3.87Å; L258-F269 HydrophobicContact CG-CE1 4.25Å; L258-F269 HydrophobicContact CG-CZ 4.22Å; F269-A294 HydrophobicContact CB-CB 4.03Å; F269-A294 PolarHBondContact O-N 3.49Å; F269-L297 HydrophobicContact CD2-CG 4.35Å; F269-L297 HydrophobicContact CE2-CD2 3.73Å; F269-L297 HydrophobicContact CE2-CG 3.91Å; F269-L297 HydrophobicContact CZ-CD2 4.47Å; F269-I511 HydrophobicContact CE1-CG2 4.35Å |
| 270 | Y | 83.2 | Confident | 58.9 | Low | 42 Ų | 42 | 98.4 Ų | 98.4 | 17% | 0.165 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 139.6 | 167 | -55.3 | -91.5 | 0 | 0 | 0 | 109.7 | F256 I257 Q268 L291 E292 L519 | F256-Y270 CarbonylContact C-O 3.48Å; F256-Y270 VanDerWaalsContact CA-O 3.26Å; F256-Y270 WeakPolarHBondContact CA-O 3.37Å; I257-Y270 PolarHBondContact N-O 2.78Å; I257-Y270 PolarHBondContact O-N 2.95Å; Q268-Y270 HydrophobicContact CB-CE2 4.34Å; Q268-Y270 HydrophobicContact CG-CE2 4.11Å; Q268-Y270 PolarHBondContact OE1-OH 3.2Å; Y270-L291 HydrophobicContact CD1-CB 4.44Å; Y270-E292 CarbonylContact C-O 3.58Å; Y270-E292 WeakPolarHBondContact CA-O 3.47Å; Y270-L519 HydrophobicContact CD2-CD1 4.31Å; Y270-L519 HydrophobicContact CE2-CD1 3.67Å |
| 271 | K | 82.9 | Confident | 57 | Low | 81 Ų | 81 | 103.6 Ų | 103.6 | 35% | 0.352 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.8 | 173.3 | 175.1 | 180 | 155.1 | -130.5 | 0 | 108.9 | F256 V273 E292 A294 | F256-K271 HydrophobicContact CD1-CB 4.11Å; F256-K271 HydrophobicContact CE1-CB 4.12Å; F256-K271 HydrophobicContact CE1-CG 4.34Å; K271-V273 HydrophobicContact CG-CG2 4.48Å; K271-V273 PolarHBondContact O-N 2.77Å; K271-E292 HydrophobicContact CB-CB 4.48Å; K271-E292 PolarHBondContact N-O 3.44Å; K271-E292 IonicContact NZ-OE2 3.38Å; K271-E292 PolarHBondContact NZ-OE2 3.06Å; K271-E292 PolarHBondContact O-N 2.76Å; K271-E292 VanDerWaalsContact O-N 3.14Å; K271-A294 HydrophobicContact CB-CB 4.47Å |
| 272 | I | 81.1 | Confident | 55.4 | Low | 25 Ų | 25 | 106.3 Ų | 106.3 | 13% | 0.128 | 58% | 0.578 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.1 | 176.5 | -57.5 | 176.6 | 0 | 0 | 0 | 108.4 | E255 I257 L291 I526 | E255-I272 HydrophobicContact CB-CB 4.22Å; E255-I272 HydrophobicContact CB-CD1 3.91Å; E255-I272 HydrophobicContact CB-CG1 4.38Å; E255-I272 PolarHBondContact O-N 2.77Å; I257-I272 HydrophobicContact CD1-CD1 4.5Å; I257-I272 HydrophobicContact CD1-CG1 4.39Å; I257-I272 HydrophobicContact CG1-CD1 4.12Å; I257-I272 HydrophobicContact CG1-CG1 4.15Å; I272-L291 HydrophobicContact CG1-CD2 3.87Å; I272-I526 HydrophobicContact CD1-CD1 3.56Å; I272-I526 HydrophobicContact CD1-CG1 4.31Å; I272-I526 HydrophobicContact CG1-CD1 4.05Å; I272-I526 HydrophobicContact CG2-CG2 4.1Å |
| 273 | V | 72.2 | Confident | 54.3 | Low | 42 Ų | 42 | 108.4 Ų | 108.4 | 26% | 0.255 | 58% | 0.583 | S | S | . | * | trans | -110.9 | 139.7 | 176.8 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | K271 F290 E292 | K271-V273 HydrophobicContact CG-CG2 4.48Å; K271-V273 PolarHBondContact O-N 2.77Å; V273-F290 PolarHBondContact N-O 2.89Å; V273-E292 HydrophobicContact CG2-CB 4.39Å; V273-E292 VanDerWaalsContact CG2-CD 3.43Å; V273-E292 HydrophobicContact CG2-CG 3.71Å; V273-E292 WeakPolarHBondContact CG2-OE2 3.45Å | ||
| 274 | K | 58 | Low | 53.2 | Low | 154 Ų | 154 | 105.6 Ų | 105.6 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 121.1 | 170.1 | -66.1 | -178.2 | 179.4 | -178.9 | 0 | 108.3 | ||
| 275 | S | 47.5 | Very low | 52 | Low | 74 Ų | 74 | 111.7 Ų | 111.7 | 52% | 0.517 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 139.2 | 163.4 | 43 | 0 | 0 | 0 | 0 | 110 | ||
| 276 | A | 34.7 | Very low | 51.3 | Low | 83 Ų | 83 | 107.5 Ų | 107.5 | 69% | 0.686 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 170.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 277 | S | 34.4 | Very low | 50.5 | Low | 110 Ų | 110 | 108.4 Ų | 108.4 | 77% | 0.769 | 59% | 0.589 | S | S | * | * | trans | 52 | 108.2 | 175 | 42.8 | 0 | 0 | 0 | 0 | 116.6 | D279 | S277-D279 PolarHBondContact O-N 2.73Š| ||
| 278 | K | 31 | Very low | 49.4 | Very low | 208 Ų | 208 | 107.7 Ų | 107.7 | 90% | 0.904 | 59% | 0.591 | S | S | * | * | trans | -74.8 | 99.5 | 145.2 | -82.4 | -173.4 | 170.9 | -169.1 | 0 | 106.9 | ||||
| 279 | D | 30.7 | Very low | 48.3 | Very low | 151 Ų | 151 | 107.9 Ų | 107.9 | 81% | 0.807 | 59% | 0.592 | S | S | * | * | trans | -168.9 | 72.5 | 161.3 | -90.7 | -34.5 | 0 | 0 | 0 | 108.9 | S277 | S277-D279 PolarHBondContact O-N 2.73Š| ||
| 280 | D | 30.9 | Very low | 47.5 | Very low | 163 Ų | 163 | 109.7 Ų | 109.7 | 87% | 0.872 | 60% | 0.6 | S | S | * | * | trans | -169.5 | 150.3 | 147 | -118.9 | -29.2 | 0 | 0 | 0 | 111.9 | ||||
| 281 | S | 30.2 | Very low | 46.7 | Very low | 120 Ų | 120 | 108.3 Ų | 108.3 | 84% | 0.839 | 60% | 0.595 | S | S | * | * | trans | -116.4 | 72.9 | -171 | 52 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 282 | S | 34.4 | Very low | 46.3 | Very low | 115 Ų | 115 | 108.5 Ų | 108.5 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | trans | -141.5 | 146.8 | 165.6 | 63.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 283 | T | 35.5 | Very low | 45.8 | Very low | 121 Ų | 121 | 111 Ų | 111 | 74% | 0.742 | 62% | 0.616 | S | S | * | * | trans | -109.1 | 150.1 | -156.9 | -14.4 | 0 | 0 | 0 | 0 | 114.2 | Q285 | T283-Q285 PolarHBondContact O-N 3.2Š| ||
| 284 | Q | 34.4 | Very low | 45.7 | Very low | 177 Ų | 177 | 110.2 Ų | 110.2 | 83% | 0.827 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 75.2 | 0.6 | 157.9 | -60.8 | -172.4 | -8.9 | 0 | 0 | 121.1 | ||
| 285 | Q | 33.6 | Very low | 45.6 | Very low | 179 Ų | 179 | 110.1 Ų | 110.1 | 84% | 0.836 | 62% | 0.62 | S | S | * | * | trans | -105.2 | -5.1 | -177.9 | -140.6 | 170.2 | 10 | 0 | 0 | 117.7 | T283 L287 | T283-Q285 PolarHBondContact O-N 3.2Å; Q285-L287 PolarHBondContact O-N 3.04Å | ||
| 286 | L | 40.4 | Very low | 45.9 | Very low | 109 Ų | 109 | 113.4 Ų | 113.4 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | trans | -101.6 | 56.7 | -174.1 | -61.3 | 175.6 | 0 | 0 | 0 | 114.2 | S288 E289 | L286-S288 VanDerWaalsContact C-N 3.32Å; L286-E289 HydrophobicContact CD2-CG 4.24Å | ||
| 287 | L | 40.8 | Very low | 46.8 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 62% | 0.618 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -84.9 | -1.2 | 175.8 | -110.6 | 165.2 | 0 | 0 | 0 | 114.1 | Q285 R523 | Q285-L287 PolarHBondContact O-N 3.04Å; L287-R523 PolarHBondContact O-NE 2.73Å; L287-R523 PolarHBondContact O-NH1 3.36Å; L287-R523 VanDerWaalsContact O-NH1 3.08Å; L287-R523 PolarHBondContact O-NH2 2.85Å; L287-R523 VanDerWaalsContact O-NH2 3.13Å |
| 288 | S | 46.9 | Very low | 47.9 | Very low | 75 Ų | 75 | 110.4 Ų | 110.4 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -96.2 | -40.8 | -176.7 | 40.2 | 0 | 0 | 0 | 0 | 114.3 | L286 F290 R523 | L286-S288 VanDerWaalsContact C-N 3.32Å; S288-F290 PolarHBondContact O-N 2.87Å; S288-R523 PolarHBondContact O-NH2 3.49Å; S288-R523 VanDerWaalsContact O-NH2 3.1Å |
| 289 | E | 53.6 | Low | 49.3 | Very low | 104 Ų | 104 | 101.5 Ų | 101.5 | 49% | 0.486 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.8 | -29.4 | -156.7 | -66.2 | -174.1 | 141.2 | 0 | 0 | 117.4 | L286 L291 | L286-E289 HydrophobicContact CD2-CG 4.24Å; E289-L291 PolarHBondContact O-N 3.41Å; E289-L291 VanDerWaalsContact O-N 3.16Å |
| 290 | F | 61.2 | Low | 50.5 | Low | 52 Ų | 52 | 97 Ų | 97 | 23% | 0.228 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.8 | -173.2 | -72.5 | -78 | 0 | 0 | 0 | 115.2 | V273 S288 M527 | V273-F290 PolarHBondContact N-O 2.89Å; S288-F290 PolarHBondContact O-N 2.87Å; F290-M527 HydrophobicContact CD2-CE 4.39Å; F290-M527 HydrophobicContact CD2-CG 4.07Å; F290-M527 HydrophobicContact CD2-SD 4.4Å; F290-M527 HydrophobicContact CE2-CE 4.27Å; F290-M527 HydrophobicContact CE2-CG 4.36Å; F290-M527 HydrophobicContact CG-CG 4.41Å |
| 291 | L | 67.5 | Low | 51.6 | Low | 13 Ų | 13 | 94.2 Ų | 94.2 | 7% | 0.068 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 98.7 | -175.2 | -66.8 | 178 | 0 | 0 | 0 | 111.4 | I257 Y270 I272 E289 L519 R523 I526 | I257-L291 HydrophobicContact CD1-CD1 3.91Å; I257-L291 HydrophobicContact CD1-CD2 3.48Å; I257-L291 VanDerWaalsContact CD1-CD2 3.48Å; I257-L291 HydrophobicContact CD1-CG 4.38Å; I257-L291 HydrophobicContact CG1-CD2 4.37Å; Y270-L291 HydrophobicContact CD1-CB 4.44Å; I272-L291 HydrophobicContact CG1-CD2 3.87Å; E289-L291 PolarHBondContact O-N 3.41Å; E289-L291 VanDerWaalsContact O-N 3.16Å; L291-L519 HydrophobicContact CD1-CD2 4.36Å; L291-R523 HydrophobicContact CD1-CG 4.1Å; L291-I526 HydrophobicContact CD2-CD1 4.43Å |
| 292 | E | 74.2 | Confident | 52.7 | Low | 85 Ų | 85 | 94.7 Ų | 94.7 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 135.1 | 170.8 | -69 | 175 | 158.7 | 0 | 0 | 110 | Y270 K271 V273 | Y270-E292 CarbonylContact C-O 3.58Å; Y270-E292 WeakPolarHBondContact CA-O 3.47Å; K271-E292 HydrophobicContact CB-CB 4.48Å; K271-E292 PolarHBondContact N-O 3.44Å; K271-E292 IonicContact NZ-OE2 3.38Å; K271-E292 PolarHBondContact NZ-OE2 3.06Å; K271-E292 PolarHBondContact O-N 2.76Å; K271-E292 VanDerWaalsContact O-N 3.14Å; V273-E292 HydrophobicContact CG2-CB 4.39Å; V273-E292 VanDerWaalsContact CG2-CD 3.43Å; V273-E292 HydrophobicContact CG2-CG 3.71Å; V273-E292 WeakPolarHBondContact CG2-OE2 3.45Å |
| 293 | P | 70.5 | Confident | 53.6 | Low | 79 Ų | 79 | 89.6 Ų | 89.6 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 139.9 | 160.9 | -20 | 32.9 | 0 | 0 | 0 | 110.4 | ||
| 294 | A | 68.6 | Low | 54.4 | Low | 25 Ų | 25 | 87.3 Ų | 87.3 | 21% | 0.207 | 47% | 0.465 | C | S | . | . | trans | -114.2 | 102.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F269 K271 N296 | F269-A294 HydrophobicContact CB-CB 4.03Å; F269-A294 PolarHBondContact O-N 3.49Å; K271-A294 HydrophobicContact CB-CB 4.47Å; A294-N296 PolarHBondContact O-N 2.97Å; A294-N296 VanDerWaalsContact O-N 3.09Å | ||
| 295 | D | 56.8 | Low | 55 | Low | 152 Ų | 152 | 83 Ų | 83 | 81% | 0.813 | 45% | 0.454 | S | S | * | . | trans | -73.3 | 1.8 | -169.5 | -62 | -33.3 | 0 | 0 | 0 | 115.5 | ||||
| 296 | N | 54.6 | Low | 55.7 | Low | 143 Ų | 143 | 78 Ų | 78 | 77% | 0.765 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -133.5 | 131.1 | 177.9 | -77.5 | -77.6 | 0 | 0 | 0 | 112 | A294 | A294-N296 PolarHBondContact O-N 2.97Å; A294-N296 VanDerWaalsContact O-N 3.09Å |
| 297 | L | 53.1 | Low | 56 | Low | 98 Ų | 98 | 78.4 Ų | 78.4 | 51% | 0.513 | 44% | 0.44 | S | S | . | . | trans | -69.7 | 135 | 173.3 | -86.2 | 115.7 | 0 | 0 | 0 | 111.5 | F269 L299 | F269-L297 HydrophobicContact CD2-CG 4.35Å; F269-L297 HydrophobicContact CE2-CD2 3.73Å; F269-L297 HydrophobicContact CE2-CG 3.91Å; F269-L297 HydrophobicContact CZ-CD2 4.47Å; L297-L299 HydrophobicContact CB-CB 4.11Å; L297-L299 HydrophobicContact CD2-CB 3.99Å; L297-L299 HydrophobicContact CD2-CD1 3.83Å; L297-L299 PolarHBondContact O-N 2.81Å; L297-L299 VanDerWaalsContact O-N 3.09Å | ||
| 298 | P | 57.9 | Low | 56.3 | Low | 31 Ų | 31 | 80.8 Ų | 80.8 | 20% | 0.201 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -85.1 | 52.9 | 167.1 | 36.9 | -35 | 0 | 0 | 0 | 110.4 | R474 | P298-R474 PolarHBondContact O-NH2 3.43Š|
| 299 | L | 58.8 | Low | 56.5 | Low | 21 Ų | 21 | 78.7 Ų | 78.7 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -145.7 | 131.9 | -170.5 | -113.3 | 159.6 | 0 | 0 | 0 | 108.3 | L297 P301 L303 A319 L320 D323 | L297-L299 HydrophobicContact CB-CB 4.11Å; L297-L299 HydrophobicContact CD2-CB 3.99Å; L297-L299 HydrophobicContact CD2-CD1 3.83Å; L297-L299 PolarHBondContact O-N 2.81Å; L297-L299 VanDerWaalsContact O-N 3.09Å; L299-P301 WeakPolarHBondContact O-CD 3.4Å; L299-L303 HydrophobicContact CD2-CB 4.4Å; L299-L303 HydrophobicContact CD2-CD1 4.33Å; L299-A319 HydrophobicContact CD2-CB 4.43Å; L299-L320 HydrophobicContact CD1-CD2 3.62Å; L299-L320 HydrophobicContact CD1-CG 4.27Å; L299-L320 HydrophobicContact CG-CD2 4.23Å; L299-D323 WeakPolarHBondContact CA-OD1 3.29Å; L299-D323 HydrophobicContact CD2-CB 3.59Å; L299-D323 HydrophobicContact CG-CB 4.27Å |
| 300 | D | 57.8 | Low | 56.3 | Low | 58 Ų | 58 | 78.8 Ų | 78.8 | 31% | 0.31 | 44% | 0.435 | S | S | . | . | trans | -56.1 | 129.4 | -176.9 | -169.3 | -43.6 | 0 | 0 | 0 | 113.2 | Q302 L303 D323 | D300-Q302 PolarHBondContact O-N 3.06Å; D300-Q302 PolarHBondContact OD1-N 3.31Å; D300-L303 HydrophobicContact CB-CD1 4.34Å; D300-L303 WeakPolarHBondContact O-CB 3.29Å; D300-L303 PolarHBondContact O-N 3.31Å; D300-D323 PolarHBondContact N-OD1 2.83Å; D300-D323 VanDerWaalsContact N-OD1 3.1Å | ||
| 301 | P | 52.7 | Low | 55.7 | Low | 103 Ų | 103 | 84.1 Ų | 84.1 | 67% | 0.669 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -9.9 | -67.7 | 158.2 | 42.1 | -26.4 | 0 | 0 | 0 | 117.6 | L299 L303 T304 | L299-P301 WeakPolarHBondContact O-CD 3.4Å; P301-L303 PolarHBondContact O-N 3.19Å; P301-T304 PolarHBondContact O-OG1 3.12Å |
| 302 | Q | 53 | Low | 55 | Low | 130 Ų | 130 | 88 Ų | 88 | 61% | 0.607 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -67.7 | -39.1 | -167.3 | -59.2 | -177.7 | -9.3 | 0 | 0 | 110.9 | D300 T304 S305 | D300-Q302 PolarHBondContact O-N 3.06Å; D300-Q302 PolarHBondContact OD1-N 3.31Å; Q302-T304 VanDerWaalsContact C-N 3.26Å; Q302-T304 PolarHBondContact O-N 2.89Å; Q302-S305 PolarHBondContact O-N 3.37Å; Q302-S305 PolarHBondContact O-OG 2.83Å |
| 303 | L | 54.6 | Low | 54.5 | Low | 9 Ų | 9 | 85.8 Ų | 85.8 | 5% | 0.047 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -63.8 | -26.2 | -176.2 | -102.9 | 164.9 | 0 | 0 | 0 | 114.4 | L299 D300 P301 L309 F322 D323 L326 | L299-L303 HydrophobicContact CD2-CB 4.4Å; L299-L303 HydrophobicContact CD2-CD1 4.33Å; D300-L303 HydrophobicContact CB-CD1 4.34Å; D300-L303 WeakPolarHBondContact O-CB 3.29Å; D300-L303 PolarHBondContact O-N 3.31Å; P301-L303 PolarHBondContact O-N 3.19Å; L303-L309 HydrophobicContact CD2-CD1 3.86Å; L303-L309 HydrophobicContact CD2-CD2 4.35Å; L303-F322 HydrophobicContact CD1-CD1 3.89Å; L303-F322 HydrophobicContact CD1-CE1 4.42Å; L303-F322 HydrophobicContact CD2-CD1 3.51Å; L303-F322 HydrophobicContact CD2-CE1 3.8Å; L303-F322 HydrophobicContact CG-CD1 4.2Å; L303-F322 HydrophobicContact CG-CE1 4.42Å; L303-D323 HydrophobicContact CD1-CB 4Å; L303-L326 HydrophobicContact CD1-CD1 4.04Å |
| 304 | T | 50.8 | Low | 54.2 | Low | 73 Ų | 73 | 90.2 Ų | 90.2 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -82.7 | -16.2 | 177.6 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | P301 Q302 | P301-T304 PolarHBondContact O-OG1 3.12Å; Q302-T304 VanDerWaalsContact C-N 3.26Å; Q302-T304 PolarHBondContact O-N 2.89Å |
| 305 | S | 47.1 | Very low | 54.2 | Low | 86 Ų | 86 | 90.1 Ų | 90.1 | 60% | 0.601 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -23.1 | -176.3 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | Q302 T307 | Q302-S305 PolarHBondContact O-N 3.37Å; Q302-S305 PolarHBondContact O-OG 2.83Å; S305-T307 PolarHBondContact O-N 2.92Å |
| 306 | D | 49.7 | Very low | 55 | Low | 74 Ų | 74 | 83.7 Ų | 83.7 | 40% | 0.396 | 45% | 0.452 | S | S | . | . | trans | -69.5 | 121.4 | 179.8 | -81.5 | -36.1 | 0 | 0 | 0 | 112 | L309 N310 | D306-L309 HydrophobicContact CB-CB 4.35Å; D306-L309 HydrophobicContact CB-CD1 3.72Å; D306-N310 PolarHBondContact O-ND2 2.95Å | ||
| 307 | T | 46.1 | Very low | 56.4 | Low | 117 Ų | 117 | 76.9 Ų | 76.9 | 72% | 0.718 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -28.1 | -172 | 6 | 0 | 0 | 0 | 0 | 113.2 | S305 | S305-T307 PolarHBondContact O-N 2.92Š|
| 308 | E | 47.9 | Very low | 57.9 | Low | 169 Ų | 169 | 73 Ų | 73 | 79% | 0.79 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -42.8 | 178.9 | -60.5 | -168.8 | 144.7 | 0 | 0 | 112.1 | N310 M311 | E308-N310 VanDerWaalsContact C-N 3.27Å; E308-N310 PolarHBondContact O-N 3.23Å; E308-M311 PolarHBondContact O-N 3.12Å |
| 309 | L | 51.1 | Low | 59 | Low | 30 Ų | 30 | 72.8 Ų | 72.8 | 16% | 0.157 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -56.3 | -40 | 175.7 | -92 | 148.6 | 0 | 0 | 0 | 112.5 | L303 D306 M311 F318 | L303-L309 HydrophobicContact CD2-CD1 3.86Å; L303-L309 HydrophobicContact CD2-CD2 4.35Å; D306-L309 HydrophobicContact CB-CB 4.35Å; D306-L309 HydrophobicContact CB-CD1 3.72Å; L309-M311 VanDerWaalsContact C-N 3.29Å; L309-M311 PolarHBondContact O-N 3.46Å; L309-F318 HydrophobicContact CD2-CD1 3.86Å; L309-F318 HydrophobicContact CD2-CE1 3.62Å |
| 310 | N | 49.2 | Very low | 60.3 | Low | 106 Ų | 106 | 71.8 Ų | 71.8 | 57% | 0.567 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -76.4 | -5.4 | -176.6 | -79.2 | -74.4 | 0 | 0 | 0 | 114.7 | D306 E308 | D306-N310 PolarHBondContact O-ND2 2.95Å; E308-N310 VanDerWaalsContact C-N 3.27Å; E308-N310 PolarHBondContact O-N 3.23Å |
| 311 | M | 47.2 | Very low | 61.7 | Low | 165 Ų | 165 | 69 Ų | 69 | 81% | 0.813 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -92 | -6.3 | -178.5 | -72.2 | -158.2 | 71.6 | 0 | 0 | 115.1 | E308 L309 | E308-M311 PolarHBondContact O-N 3.12Å; L309-M311 VanDerWaalsContact C-N 3.29Å; L309-M311 PolarHBondContact O-N 3.46Å |
| 312 | I | 53.9 | Low | 63.2 | Low | 95 Ų | 95 | 64.2 Ų | 64.2 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -17.7 | -170.7 | -46.7 | 177.4 | 0 | 0 | 0 | 113.3 | E314 | I312-E314 PolarHBondContact O-N 3.28Š|
| 313 | D | 64.3 | Low | 64.7 | Low | 37 Ų | 37 | 58.5 Ų | 58.5 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | trans | -99.2 | 71 | -173.4 | -168.5 | 15.4 | 0 | 0 | 0 | 113 | D315 G316 V317 F318 A319 | D313-D315 PolarHBondContact O-N 3.46Å; D313-G316 VanDerWaalsContact CG-CA 3.47Å; D313-G316 PolarHBondContact O-N 3.16Å; D313-G316 PolarHBondContact OD1-N 2.97Å; D313-G316 VanDerWaalsContact OD2-CA 3.22Å; D313-G316 WeakPolarHBondContact OD2-CA 3.27Å; D313-V317 VanDerWaalsContact CG-N 3.31Å; D313-V317 PolarHBondContact OD1-N 3.5Å; D313-V317 PolarHBondContact OD2-N 3.35Å; D313-F318 HydrophobicContact CB-CB 4.18Å; D313-F318 VanDerWaalsContact CG-N 3.27Å; D313-F318 PolarHBondContact OD1-N 3.19Å; D313-F318 VanDerWaalsContact OD1-N 3.14Å; D313-F318 WeakPolarHBondContact OD2-CA 3.42Å; D313-F318 WeakPolarHBondContact OD2-CB 3.12Å; D313-F318 PolarHBondContact OD2-N 3.28Å; D313-A319 PolarHBondContact OD2-N 2.71Å | ||
| 314 | E | 62.6 | Low | 66.2 | Low | 172 Ų | 172 | 58.2 Ų | 58.2 | 80% | 0.804 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -27.4 | -175.5 | -70.6 | -165.2 | 149.8 | 0 | 0 | 115.5 | I312 | I312-E314 PolarHBondContact O-N 3.28Š|
| 315 | D | 68.5 | Low | 67.9 | Low | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -3.4 | 179.9 | -72.7 | -38.1 | 0 | 0 | 0 | 113 | D313 V317 R478 L513 K515 | D313-D315 PolarHBondContact O-N 3.46Å; D315-V317 HydrophobicContact CB-CG2 3.78Å; D315-R478 IonicContact OD2-CZ 2.72Å; D315-R478 VanDerWaalsContact OD2-CZ 3.24Å; D315-R478 IonicContact OD2-NE 2.82Å; D315-R478 PolarHBondContact OD2-NE 2.8Å; D315-R478 IonicContact OD2-NH2 2.87Å; D315-R478 PolarHBondContact OD2-NH2 3.03Å; D315-L513 HydrophobicContact CB-CD2 4.49Å; D315-L513 WeakPolarHBondContact O-CD2 3.27Å; D315-K515 IonicContact OD1-NZ 2.67Å |
| 316 | G | 73.6 | Confident | 69.4 | Low | 16 Ų | 16 | 51.8 Ų | 51.8 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 70.7 | 22.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | D313 | D313-G316 VanDerWaalsContact CG-CA 3.47Å; D313-G316 PolarHBondContact O-N 3.16Å; D313-G316 PolarHBondContact OD1-N 2.97Å; D313-G316 VanDerWaalsContact OD2-CA 3.22Å; D313-G316 WeakPolarHBondContact OD2-CA 3.27Å |
| 317 | V | 85.3 | Confident | 70.9 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -88.8 | -33.9 | -173.7 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | D313 D315 C321 V333 L344 M348 R478 L513 | D313-V317 VanDerWaalsContact CG-N 3.31Å; D313-V317 PolarHBondContact OD1-N 3.5Å; D313-V317 PolarHBondContact OD2-N 3.35Å; D315-V317 HydrophobicContact CB-CG2 3.78Å; V317-C321 PolarHBondContact O-N 3.02Å; V317-C321 PolarHBondContact O-SG 3.49Å; V317-V333 HydrophobicContact CG1-CG1 4.09Å; V317-L344 HydrophobicContact CG1-CD2 4.18Å; V317-M348 HydrophobicContact CB-CE 4.48Å; V317-M348 HydrophobicContact CG1-CE 3.7Å; V317-R478 HydrophobicContact CG2-CG 4.16Å; V317-L513 HydrophobicContact CG2-CD2 3.51Å |
| 318 | F | 85 | Confident | 72.5 | Confident | 15 Ų | 15 | 48 Ų | 48 | 7% | 0.066 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 176.6 | -176.4 | -113.3 | 0 | 0 | 0 | 111 | L309 D313 L320 C321 F322 M348 Q351 I352 L355 | L309-F318 HydrophobicContact CD2-CD1 3.86Å; L309-F318 HydrophobicContact CD2-CE1 3.62Å; D313-F318 HydrophobicContact CB-CB 4.18Å; D313-F318 VanDerWaalsContact CG-N 3.27Å; D313-F318 PolarHBondContact OD1-N 3.19Å; D313-F318 VanDerWaalsContact OD1-N 3.14Å; D313-F318 WeakPolarHBondContact OD2-CA 3.42Å; D313-F318 WeakPolarHBondContact OD2-CB 3.12Å; D313-F318 PolarHBondContact OD2-N 3.28Å; F318-L320 VanDerWaalsContact C-N 3.35Å; F318-L320 PolarHBondContact O-N 3.15Å; F318-C321 PolarHBondContact O-N 2.92Å; F318-C321 VanDerWaalsContact O-N 3.09Å; F318-F322 HydrophobicContact CE1-CB 4.42Å; F318-F322 HydrophobicContact CE1-CD2 4.08Å; F318-F322 HydrophobicContact CE1-CG 4.38Å; F318-F322 HydrophobicContact CE2-CD2 4.39Å; F318-F322 HydrophobicContact CZ-CB 4.42Å; F318-F322 AromaticContact CZ-CD2 3.7Å; F318-F322 HydrophobicContact CZ-CD2 3.7Å; F318-F322 HydrophobicContact CZ-CE2 4.35Å; F318-F322 HydrophobicContact CZ-CG 4.35Å; F318-F322 VanDerWaalsContact O-CB 3.26Å; F318-F322 WeakPolarHBondContact O-CB 3.33Å; F318-F322 PolarHBondContact O-N 3.35Å; F318-M348 HydrophobicContact CD2-CB 4.37Å; F318-M348 HydrophobicContact CD2-CG 4Å; F318-Q351 HydrophobicContact CD2-CB 4.34Å; F318-Q351 HydrophobicContact CE1-CB 3.88Å; F318-Q351 HydrophobicContact CE1-CG 4.45Å; F318-Q351 HydrophobicContact CE2-CB 3.67Å; F318-Q351 HydrophobicContact CE2-CG 4.46Å; F318-Q351 HydrophobicContact CZ-CB 3.41Å; F318-Q351 VanDerWaalsContact CZ-CB 3.41Å; F318-Q351 HydrophobicContact CZ-CG 4.34Å; F318-I352 HydrophobicContact CE2-CG1 4.24Å; F318-I352 HydrophobicContact CZ-CG1 4.44Å; F318-L355 HydrophobicContact CE1-CD1 4.22Å; F318-L355 HydrophobicContact CZ-CD1 4.1Å |
| 319 | A | 79.8 | Confident | 74.4 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 22% | 0.223 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.9 | -48 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L299 D313 C321 F322 D323 | L299-A319 HydrophobicContact CD2-CB 4.43Å; D313-A319 PolarHBondContact OD2-N 2.71Å; A319-C321 VanDerWaalsContact C-N 3.32Å; A319-C321 PolarHBondContact O-N 3.15Å; A319-F322 PolarHBondContact O-N 2.84Å; A319-D323 WeakPolarHBondContact O-CB 3.31Å; A319-D323 PolarHBondContact O-N 3.23Å |
| 320 | L | 85.5 | Confident | 76.1 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -32.3 | 178 | -71.9 | 172 | 0 | 0 | 0 | 113.7 | L258 L299 F318 T324 R474 I476 I511 L513 | L258-L320 HydrophobicContact CD2-CD1 3.99Å; L299-L320 HydrophobicContact CD1-CD2 3.62Å; L299-L320 HydrophobicContact CD1-CG 4.27Å; L299-L320 HydrophobicContact CG-CD2 4.23Å; F318-L320 VanDerWaalsContact C-N 3.35Å; F318-L320 PolarHBondContact O-N 3.15Å; L320-T324 PolarHBondContact O-OG1 3.42Å; L320-R474 PolarHBondContact O-NH1 3.45Å; L320-I476 HydrophobicContact CB-CD1 3.61Å; L320-I476 HydrophobicContact CD1-CD1 4.37Å; L320-I511 HydrophobicContact CD1-CD1 4.2Å; L320-I511 HydrophobicContact CD1-CG2 4.42Å; L320-I511 HydrophobicContact CD2-CD1 3.77Å; L320-L513 HydrophobicContact CD1-CD1 4.38Å |
| 321 | C | 88.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -76.5 | -42.1 | 175.9 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | V317 F318 A319 T324 L325 V331 V333 M348 I457 | V317-C321 PolarHBondContact O-N 3.02Å; V317-C321 PolarHBondContact O-SG 3.49Å; F318-C321 PolarHBondContact O-N 2.92Å; F318-C321 VanDerWaalsContact O-N 3.09Å; A319-C321 VanDerWaalsContact C-N 3.32Å; A319-C321 PolarHBondContact O-N 3.15Å; C321-T324 WeakPolarHBondContact O-CB 3.39Å; C321-T324 PolarHBondContact O-N 3Å; C321-L325 PolarHBondContact O-N 3.09Å; C321-V331 HydrophobicContact CB-CG1 4.04Å; C321-V333 VanDerWaalsContact SG-CG2 3.56Å; C321-M348 HydrophobicContact CB-CE 4.09Å; C321-M348 HydrophobicContact CB-SD 4.33Å; C321-M348 VanDerWaalsContact SG-CE 3.51Å; C321-I457 HydrophobicContact CB-CD1 4.2Å |
| 322 | F | 83.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.4 | -39.8 | -177.3 | -171.7 | -93.5 | 0 | 0 | 0 | 112.3 | L303 F318 A319 T324 L325 L326 L355 I392 L396 | L303-F322 HydrophobicContact CD1-CD1 3.89Å; L303-F322 HydrophobicContact CD1-CE1 4.42Å; L303-F322 HydrophobicContact CD2-CD1 3.51Å; L303-F322 HydrophobicContact CD2-CE1 3.8Å; L303-F322 HydrophobicContact CG-CD1 4.2Å; L303-F322 HydrophobicContact CG-CE1 4.42Å; F318-F322 HydrophobicContact CE1-CB 4.42Å; F318-F322 HydrophobicContact CE1-CD2 4.08Å; F318-F322 HydrophobicContact CE1-CG 4.38Å; F318-F322 HydrophobicContact CE2-CD2 4.39Å; F318-F322 HydrophobicContact CZ-CB 4.42Å; F318-F322 AromaticContact CZ-CD2 3.7Å; F318-F322 HydrophobicContact CZ-CD2 3.7Å; F318-F322 HydrophobicContact CZ-CE2 4.35Å; F318-F322 HydrophobicContact CZ-CG 4.35Å; F318-F322 VanDerWaalsContact O-CB 3.26Å; F318-F322 WeakPolarHBondContact O-CB 3.33Å; F318-F322 PolarHBondContact O-N 3.35Å; A319-F322 PolarHBondContact O-N 2.84Å; F322-T324 VanDerWaalsContact C-N 3.32Å; F322-T324 PolarHBondContact O-N 2.9Å; F322-L325 WeakPolarHBondContact O-CB 3.27Å; F322-L325 PolarHBondContact O-N 2.66Å; F322-L325 VanDerWaalsContact O-N 3.15Å; F322-L326 HydrophobicContact CD1-CD1 3.92Å; F322-L326 HydrophobicContact CD1-CG 4.26Å; F322-L326 HydrophobicContact CE1-CD1 3.55Å; F322-L326 HydrophobicContact CE1-CG 3.99Å; F322-L326 HydrophobicContact CZ-CD1 4.38Å; F322-L326 HydrophobicContact CZ-CG 4.47Å; F322-L326 PolarHBondContact O-N 2.79Å; F322-L355 HydrophobicContact CD2-CD1 4.23Å; F322-L355 HydrophobicContact CE2-CD1 3.43Å; F322-L355 VanDerWaalsContact CE2-CD1 3.43Å; F322-L355 HydrophobicContact CZ-CD1 3.86Å; F322-I392 HydrophobicContact CE1-CD1 3.8Å; F322-I392 HydrophobicContact CE1-CG1 4.04Å; F322-I392 HydrophobicContact CZ-CD1 4.17Å; F322-I392 HydrophobicContact CZ-CG1 4.01Å; F322-I392 HydrophobicContact CZ-CG2 4.2Å; F322-L396 HydrophobicContact CD2-CD1 4.13Å; F322-L396 HydrophobicContact CD2-CD2 4.09Å; F322-L396 HydrophobicContact CE1-CD1 4.46Å; F322-L396 HydrophobicContact CE2-CD1 3.43Å; F322-L396 VanDerWaalsContact CE2-CD1 3.43Å; F322-L396 HydrophobicContact CE2-CD2 3.49Å; F322-L396 VanDerWaalsContact CE2-CD2 3.49Å; F322-L396 HydrophobicContact CE2-CG 4.1Å; F322-L396 HydrophobicContact CZ-CD1 3.64Å; F322-L396 HydrophobicContact CZ-CD2 4.39Å |
| 323 | D | 83.7 | Confident | 82.4 | Confident | 10 Ų | 10 | 23.8 Ų | 23.8 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57 | -42.1 | 167.8 | 173.2 | 84.3 | 0 | 0 | 0 | 112.4 | L299 D300 L303 A319 L325 N327 R474 | L299-D323 WeakPolarHBondContact CA-OD1 3.29Å; L299-D323 HydrophobicContact CD2-CB 3.59Å; L299-D323 HydrophobicContact CG-CB 4.27Å; D300-D323 PolarHBondContact N-OD1 2.83Å; D300-D323 VanDerWaalsContact N-OD1 3.1Å; L303-D323 HydrophobicContact CD1-CB 4Å; A319-D323 WeakPolarHBondContact O-CB 3.31Å; A319-D323 PolarHBondContact O-N 3.23Å; D323-L325 VanDerWaalsContact C-N 3.33Å; D323-L325 PolarHBondContact O-N 3.43Å; D323-N327 PolarHBondContact O-N 2.94Å; D323-N327 PolarHBondContact O-ND2 3Å; D323-R474 IonicContact OD2-CZ 2.76Å; D323-R474 VanDerWaalsContact OD2-CZ 3.27Å; D323-R474 IonicContact OD2-NH1 3.74Å; D323-R474 PolarHBondContact OD2-NH1 3.25Å; D323-R474 IonicContact OD2-NH2 2.69Å; D323-R474 PolarHBondContact OD2-NH2 3.2Å |
| 324 | T | 87 | Confident | 83.9 | Confident | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 175.5 | -47.2 | 0 | 0 | 0 | 0 | 111.3 | L320 C321 F322 N327 H329 V331 R473 R474 | L320-T324 PolarHBondContact O-OG1 3.42Å; C321-T324 WeakPolarHBondContact O-CB 3.39Å; C321-T324 PolarHBondContact O-N 3Å; F322-T324 VanDerWaalsContact C-N 3.32Å; F322-T324 PolarHBondContact O-N 2.9Å; T324-N327 PolarHBondContact O-N 3.33Å; T324-H329 HydrophobicContact CG2-CB 3.69Å; T324-H329 WeakPolarHBondContact O-CB 3.39Å; T324-H329 PolarHBondContact O-N 2.92Å; T324-H329 VanDerWaalsContact O-N 3.12Å; T324-V331 HydrophobicContact CG2-CB 3.93Å; T324-R473 HydrophobicContact CG2-CB 4.49Å; T324-R474 HydrophobicContact CG2-CB 4.14Å; T324-R474 WeakPolarHBondContact OG1-CD 3.48Å; T324-R474 PolarHBondContact OG1-NH1 2.95Å; T324-R474 VanDerWaalsContact OG1-NH1 3.15Å |
| 325 | L | 85.5 | Confident | 85.3 | Confident | 5 Ų | 5 | 13.9 Ų | 13.9 | 3% | 0.026 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.9 | -43 | -178.7 | -173.5 | 67.7 | 0 | 0 | 0 | 112.6 | C321 F322 D323 N327 G328 I352 L396 R456 I457 | C321-L325 PolarHBondContact O-N 3.09Å; F322-L325 WeakPolarHBondContact O-CB 3.27Å; F322-L325 PolarHBondContact O-N 2.66Å; F322-L325 VanDerWaalsContact O-N 3.15Å; D323-L325 VanDerWaalsContact C-N 3.33Å; D323-L325 PolarHBondContact O-N 3.43Å; L325-N327 PolarHBondContact O-N 2.75Å; L325-G328 PolarHBondContact O-N 2.88Å; L325-I352 HydrophobicContact CD2-CD1 4.04Å; L325-L396 HydrophobicContact CD2-CD1 4.13Å; L325-L396 HydrophobicContact CD2-CD2 3.76Å; L325-L396 HydrophobicContact CD2-CG 3.75Å; L325-L396 HydrophobicContact CG-CG 4.41Å; L325-R456 HydrophobicContact CD1-CB 3.37Å; L325-R456 HydrophobicContact CD1-CG 3.73Å; L325-I457 HydrophobicContact CD2-CD1 4.44Å |
| 326 | L | 79.9 | Confident | 86.2 | Confident | 18 Ų | 18 | 13.1 Ų | 13.1 | 9% | 0.094 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.6 | -23.8 | 177.6 | -82.4 | 179.4 | 0 | 0 | 0 | 113.9 | L303 F322 G328 I392 R395 L396 | L303-L326 HydrophobicContact CD1-CD1 4.04Å; F322-L326 HydrophobicContact CD1-CD1 3.92Å; F322-L326 HydrophobicContact CD1-CG 4.26Å; F322-L326 HydrophobicContact CE1-CD1 3.55Å; F322-L326 HydrophobicContact CE1-CG 3.99Å; F322-L326 HydrophobicContact CZ-CD1 4.38Å; F322-L326 HydrophobicContact CZ-CG 4.47Å; F322-L326 PolarHBondContact O-N 2.79Å; L326-G328 VanDerWaalsContact C-N 3.27Å; L326-I392 HydrophobicContact CD1-CD1 4.13Å; L326-I392 HydrophobicContact CD1-CG1 4.03Å; L326-I392 HydrophobicContact CD2-CG1 4.1Å; L326-R395 HydrophobicContact CD2-CB 4Å; L326-R395 PolarHBondContact O-NH2 3.09Å; L326-L396 HydrophobicContact CD2-CD1 3.57Å; L326-L396 HydrophobicContact CG-CD1 4.02Å |
| 327 | N | 80.1 | Confident | 86.9 | Confident | 92 Ų | 92 | 14.5 Ų | 14.5 | 49% | 0.492 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 9.8 | 172.7 | -74.8 | -74.1 | 0 | 0 | 0 | 112.9 | D323 T324 L325 H329 | D323-N327 PolarHBondContact O-N 2.94Å; D323-N327 PolarHBondContact O-ND2 3Å; T324-N327 PolarHBondContact O-N 3.33Å; L325-N327 PolarHBondContact O-N 2.75Å; N327-H329 PolarHBondContact O-CE1 3.04Å; N327-H329 PolarHBondContact O-N 2.95Å; N327-H329 PolarHBondContact O-ND1 2.74Å |
| 328 | G | 79.2 | Confident | 87 | Confident | 19 Ų | 19 | 17.7 Ų | 17.7 | 20% | 0.196 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 18.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L325 L326 R456 | L325-G328 PolarHBondContact O-N 2.88Å; L326-G328 VanDerWaalsContact C-N 3.27Å; G328-R456 PolarHBondContact O-NH1 3.36Å |
| 329 | H | 87.4 | Confident | 87.2 | Confident | 50 Ų | 50 | 22.6 Ų | 22.6 | 23% | 0.231 | 12% | 0.124 | C | C | . | . | trans | -102.2 | 162.6 | -175.6 | -61.3 | -27.9 | 0 | 0 | 0 | 112.3 | T324 N327 R473 | T324-H329 HydrophobicContact CG2-CB 3.69Å; T324-H329 WeakPolarHBondContact O-CB 3.39Å; T324-H329 PolarHBondContact O-N 2.92Å; T324-H329 VanDerWaalsContact O-N 3.12Å; N327-H329 PolarHBondContact O-CE1 3.04Å; N327-H329 PolarHBondContact O-N 2.95Å; N327-H329 PolarHBondContact O-ND1 2.74Å; H329-R473 HydrophobicContact CB-CB 3.78Å; H329-R473 HydrophobicContact CB-CG 3.91Å; H329-R473 PolarHBondContact CD2-NE 2.75Å; H329-R473 PolarHBondContact NE2-NE 3.01Å | ||
| 330 | G | 88.7 | Confident | 87.7 | Confident | 7 Ų | 7 | 25.8 Ų | 25.8 | 7% | 0.072 | 13% | 0.13 | C | C | . | . | trans | -97.7 | 141.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R456 R473 | G330-R456 WeakPolarHBondContact CA-O 3.36Å; G330-R473 PolarHBondContact O-N 3.4Å | ||
| 331 | V | 93.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 140.7 | -180 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | C321 T324 V333 R456 I457 L458 R474 I476 | C321-V331 HydrophobicContact CB-CG1 4.04Å; T324-V331 HydrophobicContact CG2-CB 3.93Å; V331-V333 HydrophobicContact CG2-CG2 4.21Å; V331-R456 PolarHBondContact N-O 3.33Å; V331-I457 HydrophobicContact CG1-CB 4.11Å; V331-I457 HydrophobicContact CG1-CG1 3.78Å; V331-I457 HydrophobicContact CG1-CG2 4.05Å; V331-L458 PolarHBondContact O-N 3.1Å; V331-L458 VanDerWaalsContact O-N 3.09Å; V331-R474 WeakPolarHBondContact CA-O 3.3Å; V331-R474 HydrophobicContact CG2-CB 4.28Å; V331-I476 HydrophobicContact CG2-CD1 3.86Å; V331-I476 HydrophobicContact CG2-CG1 4.2Å |
| 332 | L | 94.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.3 | 178.7 | -177.4 | 65.9 | 0 | 0 | 0 | 110.3 | F334 L458 A460 L464 A472 R474 V475 I476 R498 | L332-F334 HydrophobicContact CD2-CE2 3.72Å; L332-F334 HydrophobicContact CD2-CZ 3.73Å; L332-F334 HydrophobicContact CG-CE2 4.04Å; L332-F334 HydrophobicContact CG-CZ 4.21Å; L332-L458 CarbonylContact C-O 3.56Å; L332-L458 WeakPolarHBondContact CA-O 3.38Å; L332-L458 HydrophobicContact CD1-CB 4.04Å; L332-L458 HydrophobicContact CD1-CD2 4Å; L332-L458 HydrophobicContact CD1-CG 4.04Å; L332-A460 HydrophobicContact CD1-CB 4.42Å; L332-L464 HydrophobicContact CD1-CD2 3.92Å; L332-A472 HydrophobicContact CB-CB 3.72Å; L332-R474 PolarHBondContact N-O 2.87Å; L332-V475 HydrophobicContact CB-CG2 4.37Å; L332-V475 HydrophobicContact CD2-CG2 4.46Å; L332-V475 CarbonylContact O-C 3.41Å; L332-V475 WeakPolarHBondContact O-CA 3.42Å; L332-I476 PolarHBondContact O-N 3.35Å; L332-R498 HydrophobicContact CD2-CB 4.21Å |
| 333 | V | 94.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 108.8 | -172 | -172.6 | 0 | 0 | 0 | 0 | 111.2 | V317 C321 V331 L344 L458 I459 A460 I476 | V317-V333 HydrophobicContact CG1-CG1 4.09Å; C321-V333 VanDerWaalsContact SG-CG2 3.56Å; V331-V333 HydrophobicContact CG2-CG2 4.21Å; V333-L344 HydrophobicContact CG1-CD2 3.96Å; V333-L458 PolarHBondContact N-O 2.84Å; V333-I459 HydrophobicContact CB-CB 4.42Å; V333-I459 HydrophobicContact CB-CG1 4.01Å; V333-I459 HydrophobicContact CB-CG2 4.34Å; V333-I459 HydrophobicContact CG2-CG1 4.3Å; V333-I459 CarbonylContact O-C 3.56Å; V333-I459 WeakPolarHBondContact O-CA 3.2Å; V333-A460 PolarHBondContact O-N 3.15Å; V333-I476 CarbonylContact C-O 3.54Å; V333-I476 WeakPolarHBondContact CA-O 3.23Å; V333-I476 HydrophobicContact CG1-CB 4.3Å; V333-I476 HydrophobicContact CG1-CG2 4.38Å; V333-I476 HydrophobicContact CG2-CB 4.35Å; V333-I476 HydrophobicContact CG2-CD1 4.4Å |
| 334 | F | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 124 | 176.5 | -71.4 | -73.1 | 0 | 0 | 0 | 112.5 | L332 A460 L464 V475 I476 I477 R478 M495 | L332-F334 HydrophobicContact CD2-CE2 3.72Å; L332-F334 HydrophobicContact CD2-CZ 3.73Å; L332-F334 HydrophobicContact CG-CE2 4.04Å; L332-F334 HydrophobicContact CG-CZ 4.21Å; F334-A460 CarbonylContact C-O 3.55Å; F334-A460 VanDerWaalsContact CA-O 3.27Å; F334-A460 WeakPolarHBondContact CA-O 3.36Å; F334-A460 HydrophobicContact CD1-CB 4.38Å; F334-A460 HydrophobicContact CE1-CB 4.33Å; F334-L464 HydrophobicContact CE1-CB 4.32Å; F334-V475 HydrophobicContact CD2-CG1 3.77Å; F334-V475 HydrophobicContact CE2-CG1 3.86Å; F334-I476 PolarHBondContact N-O 3.28Å; F334-I477 HydrophobicContact CB-CG1 4.35Å; F334-I477 HydrophobicContact CB-CG2 4.48Å; F334-I477 HydrophobicContact CD2-CG1 4.39Å; F334-R478 PolarHBondContact O-N 3.41Å; F334-M495 HydrophobicContact CB-CE 4.03Å; F334-M495 HydrophobicContact CB-CG 4.45Å; F334-M495 HydrophobicContact CB-SD 3.86Å; F334-M495 HydrophobicContact CD1-CE 3.84Å; F334-M495 HydrophobicContact CD1-CG 4Å; F334-M495 HydrophobicContact CD1-SD 4.25Å; F334-M495 HydrophobicContact CD2-CB 3.69Å; F334-M495 HydrophobicContact CD2-CG 3.59Å; F334-M495 HydrophobicContact CD2-SD 4.09Å; F334-M495 HydrophobicContact CE1-CE 4.5Å; F334-M495 HydrophobicContact CE1-CG 4.1Å; F334-M495 HydrophobicContact CE2-CB 3.68Å; F334-M495 HydrophobicContact CE2-CG 3.7Å; F334-M495 HydrophobicContact CG-CB 4.34Å; F334-M495 HydrophobicContact CG-CE 3.95Å; F334-M495 HydrophobicContact CG-CG 3.74Å; F334-M495 HydrophobicContact CG-SD 3.8Å; F334-M495 HydrophobicContact CZ-CB 4.33Å; F334-M495 HydrophobicContact CZ-CG 3.95Å |
| 335 | C | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -118.8 | 154.7 | 178.1 | -77.4 | 0 | 0 | 0 | 0 | 111.7 | W340 I459 A460 F482 | C335-W340 HydrophobicContact CB-CB 4.09Å; C335-I459 HydrophobicContact CB-CG2 4.49Å; C335-A460 PolarHBondContact N-O 2.92Å; C335-F482 VanDerWaalsContact O-CE1 3.29Å; C335-F482 WeakPolarHBondContact O-CE1 3.48Å; C335-F482 WeakPolarHBondContact O-CZ 3.34Å | ||
| 336 | P | 88.5 | Confident | 89.6 | Confident | 8 Ų | 8 | 33.7 Ų | 33.7 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -78.5 | -23.7 | -169.4 | 32 | -37.4 | 0 | 0 | 0 | 114.6 | W340 T479 F482 H483 | P336-W340 VanDerWaalsContact CD-CE3 3.45Å; P336-W340 HydrophobicContact CG-CD2 3.84Å; P336-W340 HydrophobicContact CG-CE3 3.59Å; P336-W340 HydrophobicContact CG-CG 4.33Å; P336-W340 HydrophobicContact CG-CZ3 4.02Å; P336-T479 HydrophobicContact CB-CG2 3.95Å; P336-T479 HydrophobicContact CG-CG2 3.77Å; P336-F482 HydrophobicContact CB-CD1 4.36Å; P336-F482 HydrophobicContact CB-CD2 3.96Å; P336-F482 HydrophobicContact CB-CE2 4.18Å; P336-F482 HydrophobicContact CB-CG 4.04Å; P336-F482 HydrophobicContact CB-CZ 4.48Å; P336-H483 PolarHBondContact O-CE1 2.92Å |
| 337 | T | 88.1 | Confident | 90.1 | Very high | 45 Ų | 45 | 35 Ų | 35 | 28% | 0.276 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -139.6 | 157.8 | -174.8 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | Q339 W340 C341 | T337-Q339 PolarHBondContact O-N 2.78Å; T337-W340 PolarHBondContact O-N 3.07Å; T337-W340 WeakPolarHBondContact OG1-CB 3.44Å; T337-W340 VanDerWaalsContact OG1-CD1 3.28Å; T337-W340 PolarHBondContact OG1-N 2.87Å; T337-C341 PolarHBondContact O-N 2.83Å; T337-C341 PolarHBondContact O-SG 2.81Å |
| 338 | K | 87.6 | Confident | 90.5 | Very high | 69 Ų | 69 | 30.8 Ų | 30.8 | 30% | 0.3 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.4 | -49.8 | -179.3 | -59.4 | -176.8 | -176.2 | -175.6 | 0 | 111.8 | W340 C341 E342 H435 A436 T461 | K338-W340 VanDerWaalsContact C-N 3.28Å; K338-W340 PolarHBondContact O-N 3.16Å; K338-C341 WeakPolarHBondContact O-CA 3.46Å; K338-C341 VanDerWaalsContact O-CB 3.31Å; K338-C341 WeakPolarHBondContact O-CB 3.21Å; K338-C341 PolarHBondContact O-N 3.28Å; K338-E342 PolarHBondContact O-N 3.42Å; K338-E342 VanDerWaalsContact O-N 3.16Å; K338-H435 HydrophobicContact CG-CB 4.24Å; K338-A436 PolarHBondContact NZ-O 2.9Å; K338-T461 HydrophobicContact CG-CG2 4.44Å |
| 339 | Q | 87.9 | Confident | 91 | Very high | 117 Ų | 117 | 30 Ų | 30 | 55% | 0.547 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.4 | -34.5 | 178.1 | -168.8 | -179.1 | 22.1 | 0 | 0 | 113.2 | T337 C341 E342 Q343 | T337-Q339 PolarHBondContact O-N 2.78Å; Q339-C341 VanDerWaalsContact C-N 3.34Å; Q339-E342 PolarHBondContact O-N 2.68Å; Q339-Q343 HydrophobicContact CG-CG 4.36Å; Q339-Q343 VanDerWaalsContact O-CB 3.32Å; Q339-Q343 WeakPolarHBondContact O-CB 3.12Å; Q339-Q343 VanDerWaalsContact O-CG 3.25Å; Q339-Q343 WeakPolarHBondContact O-CG 3.4Å; Q339-Q343 PolarHBondContact O-N 3.36Å |
| 340 | W | 90.9 | Very high | 91 | Very high | 94 Ų | 94 | 33.7 Ų | 33.7 | 36% | 0.356 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -67.6 | -32.6 | 174.3 | -86 | 37.7 | 0 | 0 | 0 | 112.6 | C335 P336 T337 K338 L344 R478 | C335-W340 HydrophobicContact CB-CB 4.09Å; P336-W340 VanDerWaalsContact CD-CE3 3.45Å; P336-W340 HydrophobicContact CG-CD2 3.84Å; P336-W340 HydrophobicContact CG-CE3 3.59Å; P336-W340 HydrophobicContact CG-CG 4.33Å; P336-W340 HydrophobicContact CG-CZ3 4.02Å; T337-W340 PolarHBondContact O-N 3.07Å; T337-W340 WeakPolarHBondContact OG1-CB 3.44Å; T337-W340 VanDerWaalsContact OG1-CD1 3.28Å; T337-W340 PolarHBondContact OG1-N 2.87Å; K338-W340 VanDerWaalsContact C-N 3.28Å; K338-W340 PolarHBondContact O-N 3.16Å; W340-L344 WeakPolarHBondContact O-CB 3.47Å; W340-L344 PolarHBondContact O-N 2.72Å; W340-R478 HydrophobicContact CZ3-CG 4.29Å |
| 341 | C | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.4 | -49.3 | 173.9 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | T337 K338 Q339 L344 A345 F433 I459 | T337-C341 PolarHBondContact O-N 2.83Å; T337-C341 PolarHBondContact O-SG 2.81Å; K338-C341 WeakPolarHBondContact O-CA 3.46Å; K338-C341 VanDerWaalsContact O-CB 3.31Å; K338-C341 WeakPolarHBondContact O-CB 3.21Å; K338-C341 PolarHBondContact O-N 3.28Å; Q339-C341 VanDerWaalsContact C-N 3.34Å; C341-L344 PolarHBondContact O-N 3.47Å; C341-A345 WeakPolarHBondContact O-CB 3.44Å; C341-A345 PolarHBondContact O-N 3.05Å; C341-F433 HydrophobicContact CB-CB 3.95Å; C341-I459 HydrophobicContact CB-CG2 3.95Å |
| 342 | E | 92.9 | Very high | 90.4 | Very high | 49 Ų | 49 | 35 Ų | 35 | 23% | 0.229 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.2 | -51.7 | 177.6 | -67.9 | 166 | -149.3 | 0 | 0 | 111.6 | K338 Q339 A345 D346 I422 F433 H435 | K338-E342 PolarHBondContact O-N 3.42Å; K338-E342 VanDerWaalsContact O-N 3.16Å; Q339-E342 PolarHBondContact O-N 2.68Å; E342-A345 PolarHBondContact O-N 2.97Å; E342-D346 WeakPolarHBondContact O-CB 3.47Å; E342-D346 PolarHBondContact O-N 3.16Å; E342-I422 HydrophobicContact CB-CD1 3.87Å; E342-I422 HydrophobicContact CG-CD1 4.2Å; E342-F433 HydrophobicContact CG-CD2 3.97Å; E342-F433 HydrophobicContact CG-CE1 4.47Å; E342-F433 HydrophobicContact CG-CE2 3.69Å; E342-F433 HydrophobicContact CG-CG 4.47Å; E342-F433 HydrophobicContact CG-CZ 3.96Å; E342-H435 IonicContact OE1-NE2 2.82Å; E342-H435 PolarHBondContact OE1-NE2 3.24Å |
| 343 | Q | 92.2 | Very high | 89.9 | Confident | 104 Ų | 104 | 38.6 Ų | 38.6 | 49% | 0.486 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.5 | -40.7 | -179.2 | -73.7 | 174.2 | -19.1 | 0 | 0 | 112.8 | Q339 S347 | Q339-Q343 HydrophobicContact CG-CG 4.36Å; Q339-Q343 VanDerWaalsContact O-CB 3.32Å; Q339-Q343 WeakPolarHBondContact O-CB 3.12Å; Q339-Q343 VanDerWaalsContact O-CG 3.25Å; Q339-Q343 WeakPolarHBondContact O-CG 3.4Å; Q339-Q343 PolarHBondContact O-N 3.36Å; Q343-S347 WeakPolarHBondContact O-CB 3.39Å; Q343-S347 PolarHBondContact O-N 3.11Å |
| 344 | L | 91.7 | Very high | 89.2 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.5 | -39.4 | 178.2 | -172.7 | 63.5 | 0 | 0 | 0 | 111.1 | V317 V333 W340 C341 S347 M348 I459 | V317-L344 HydrophobicContact CG1-CD2 4.18Å; V333-L344 HydrophobicContact CG1-CD2 3.96Å; W340-L344 WeakPolarHBondContact O-CB 3.47Å; W340-L344 PolarHBondContact O-N 2.72Å; C341-L344 PolarHBondContact O-N 3.47Å; L344-S347 PolarHBondContact O-N 3.41Å; L344-M348 HydrophobicContact CD1-CE 3.96Å; L344-M348 HydrophobicContact CD1-CG 4.43Å; L344-M348 HydrophobicContact CD2-CE 4.04Å; L344-M348 HydrophobicContact CG-CE 3.92Å; L344-M348 HydrophobicContact CG-CG 4.43Å; L344-M348 HydrophobicContact CG-SD 4.46Å; L344-M348 WeakPolarHBondContact O-CG 3.41Å; L344-M348 PolarHBondContact O-N 2.96Å; L344-I459 HydrophobicContact CB-CD1 4.14Å; L344-I459 HydrophobicContact CB-CG2 4.34Å; L344-I459 HydrophobicContact CD2-CD1 4.22Å; L344-I459 HydrophobicContact CD2-CG1 4.31Å; L344-I459 HydrophobicContact CD2-CG2 3.97Å; L344-I459 HydrophobicContact CG-CD1 3.92Å |
| 345 | A | 93.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | C341 E342 S347 M348 A349 V431 F433 I459 | C341-A345 WeakPolarHBondContact O-CB 3.44Å; C341-A345 PolarHBondContact O-N 3.05Å; E342-A345 PolarHBondContact O-N 2.97Å; A345-S347 PolarHBondContact O-N 3Å; A345-M348 PolarHBondContact O-N 3.19Å; A345-A349 VanDerWaalsContact O-CB 3.26Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 2.76Å; A345-V431 HydrophobicContact CB-CG1 4.08Å; A345-F433 HydrophobicContact CB-CB 4.13Å; A345-F433 HydrophobicContact CB-CD1 3.84Å; A345-F433 HydrophobicContact CB-CG 4.45Å; A345-I459 VanDerWaalsContact CA-CD1 3.44Å; A345-I459 HydrophobicContact CB-CD1 3.79Å |
| 346 | D | 91.8 | Very high | 87.8 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -26.7 | 177.6 | -165.5 | 12.7 | 0 | 0 | 0 | 112.3 | E342 R350 I422 R425 | E342-D346 WeakPolarHBondContact O-CB 3.47Å; E342-D346 PolarHBondContact O-N 3.16Å; D346-R350 WeakPolarHBondContact O-CG 3.32Å; D346-R350 PolarHBondContact O-NE 3.44Å; D346-R350 PolarHBondContact O-NH2 2.65Å; D346-R350 IonicContact OD1-CZ 2.88Å; D346-R350 IonicContact OD1-NE 3.44Å; D346-R350 PolarHBondContact OD1-NE 2.78Å; D346-R350 IonicContact OD1-NH2 2.81Å; D346-R350 PolarHBondContact OD1-NH2 3.07Å; D346-R350 IonicContact OD2-CZ 2.75Å; D346-R350 IonicContact OD2-NH2 2.7Å; D346-R350 PolarHBondContact OD2-NH2 3.16Å; D346-I422 HydrophobicContact CB-CG2 3.96Å; D346-R425 VanDerWaalsContact CG-NH2 3.29Å; D346-R425 IonicContact OD1-CZ 3.51Å; D346-R425 IonicContact OD1-NH1 3.26Å; D346-R425 PolarHBondContact OD1-NH1 3.17Å; D346-R425 IonicContact OD1-NH2 3.36Å; D346-R425 IonicContact OD2-CZ 2.96Å; D346-R425 VanDerWaalsContact OD2-CZ 3.27Å; D346-R425 IonicContact OD2-NH1 2.72Å; D346-R425 PolarHBondContact OD2-NH1 3.14Å; D346-R425 IonicContact OD2-NH2 2.72Å; D346-R425 PolarHBondContact OD2-NH2 3.04Å |
| 347 | S | 89 | Confident | 87.3 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -74.3 | -53.5 | 171.6 | -168.7 | 0 | 0 | 0 | 0 | 111.6 | Q343 L344 A345 A349 R350 Q351 | Q343-S347 WeakPolarHBondContact O-CB 3.39Å; Q343-S347 PolarHBondContact O-N 3.11Å; L344-S347 PolarHBondContact O-N 3.41Å; A345-S347 PolarHBondContact O-N 3Å; S347-A349 VanDerWaalsContact C-N 3.34Å; S347-A349 PolarHBondContact O-N 2.98Å; S347-R350 PolarHBondContact O-N 3.47Å; S347-R350 VanDerWaalsContact O-N 3.12Å; S347-Q351 PolarHBondContact O-N 3.16Å |
| 348 | M | 89.5 | Confident | 86.3 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -41.6 | -179 | -69.3 | -168.1 | 173.4 | 0 | 0 | 112.6 | V317 F318 C321 L344 A345 R350 Q351 I352 V431 I457 I459 | V317-M348 HydrophobicContact CB-CE 4.48Å; V317-M348 HydrophobicContact CG1-CE 3.7Å; F318-M348 HydrophobicContact CD2-CB 4.37Å; F318-M348 HydrophobicContact CD2-CG 4Å; C321-M348 HydrophobicContact CB-CE 4.09Å; C321-M348 HydrophobicContact CB-SD 4.33Å; C321-M348 VanDerWaalsContact SG-CE 3.51Å; L344-M348 HydrophobicContact CD1-CE 3.96Å; L344-M348 HydrophobicContact CD1-CG 4.43Å; L344-M348 HydrophobicContact CD2-CE 4.04Å; L344-M348 HydrophobicContact CG-CE 3.92Å; L344-M348 HydrophobicContact CG-CG 4.43Å; L344-M348 HydrophobicContact CG-SD 4.46Å; L344-M348 WeakPolarHBondContact O-CG 3.41Å; L344-M348 PolarHBondContact O-N 2.96Å; A345-M348 PolarHBondContact O-N 3.19Å; M348-R350 VanDerWaalsContact C-N 3.33Å; M348-R350 PolarHBondContact O-N 2.87Å; M348-Q351 PolarHBondContact O-N 2.71Å; M348-I352 WeakPolarHBondContact O-CG1 3.37Å; M348-I352 PolarHBondContact O-N 3.37Å; M348-V431 HydrophobicContact CB-CG1 4.31Å; M348-I457 HydrophobicContact SD-CD1 4.33Å; M348-I457 HydrophobicContact SD-CG2 3.68Å; M348-I459 HydrophobicContact SD-CD1 3.86Å; M348-I459 HydrophobicContact SD-CG1 4.5Å |
| 349 | A | 89.3 | Confident | 85.4 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A345 S347 I352 F353 C426 Y429 V431 | A345-A349 VanDerWaalsContact O-CB 3.26Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 2.76Å; S347-A349 VanDerWaalsContact C-N 3.34Å; S347-A349 PolarHBondContact O-N 2.98Å; A349-I352 PolarHBondContact O-N 3.33Å; A349-F353 WeakPolarHBondContact O-CB 3.47Å; A349-F353 PolarHBondContact O-N 2.83Å; A349-C426 HydrophobicContact CB-CB 4.06Å; A349-Y429 HydrophobicContact CB-CD2 4.19Å; A349-V431 HydrophobicContact CB-CB 4.34Å; A349-V431 HydrophobicContact CB-CG2 4.37Å |
| 350 | R | 87.3 | Confident | 84.4 | Confident | 129 Ų | 129 | 44.9 Ų | 44.9 | 49% | 0.487 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.2 | -38 | 175.6 | -83.2 | -179.5 | -76.8 | -163.1 | -5.7 | 112.6 | D346 S347 M348 F353 I354 | D346-R350 WeakPolarHBondContact O-CG 3.32Å; D346-R350 PolarHBondContact O-NE 3.44Å; D346-R350 PolarHBondContact O-NH2 2.65Å; D346-R350 IonicContact OD1-CZ 2.88Å; D346-R350 IonicContact OD1-NE 3.44Å; D346-R350 PolarHBondContact OD1-NE 2.78Å; D346-R350 IonicContact OD1-NH2 2.81Å; D346-R350 PolarHBondContact OD1-NH2 3.07Å; D346-R350 IonicContact OD2-CZ 2.75Å; D346-R350 IonicContact OD2-NH2 2.7Å; D346-R350 PolarHBondContact OD2-NH2 3.16Å; S347-R350 PolarHBondContact O-N 3.47Å; S347-R350 VanDerWaalsContact O-N 3.12Å; M348-R350 VanDerWaalsContact C-N 3.33Å; M348-R350 PolarHBondContact O-N 2.87Å; R350-F353 PolarHBondContact O-N 3.41Å; R350-I354 WeakPolarHBondContact O-CD1 3.48Å; R350-I354 VanDerWaalsContact O-CG1 3.29Å; R350-I354 WeakPolarHBondContact O-CG1 3.46Å; R350-I354 PolarHBondContact O-N 3.29Å |
| 351 | Q | 83.6 | Confident | 83.2 | Confident | 34 Ų | 34 | 43.2 Ų | 43.2 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.4 | -43.1 | 173.9 | -63.1 | -51.1 | -38.8 | 0 | 0 | 112.1 | F318 S347 M348 F353 I354 L355 | F318-Q351 HydrophobicContact CD2-CB 4.34Å; F318-Q351 HydrophobicContact CE1-CB 3.88Å; F318-Q351 HydrophobicContact CE1-CG 4.45Å; F318-Q351 HydrophobicContact CE2-CB 3.67Å; F318-Q351 HydrophobicContact CE2-CG 4.46Å; F318-Q351 HydrophobicContact CZ-CB 3.41Å; F318-Q351 VanDerWaalsContact CZ-CB 3.41Å; F318-Q351 HydrophobicContact CZ-CG 4.34Å; S347-Q351 PolarHBondContact O-N 3.16Å; M348-Q351 PolarHBondContact O-N 2.71Å; Q351-F353 VanDerWaalsContact C-N 3.32Å; Q351-F353 PolarHBondContact O-N 3.06Å; Q351-I354 PolarHBondContact O-N 2.69Å; Q351-L355 WeakPolarHBondContact O-CG 3.49Å; Q351-L355 PolarHBondContact O-N 2.75Å |
| 352 | I | 85.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 174.4 | -71.2 | 169.2 | 0 | 0 | 0 | 111.3 | F318 L325 M348 A349 L355 T356 L396 Y429 V431 I457 | F318-I352 HydrophobicContact CE2-CG1 4.24Å; F318-I352 HydrophobicContact CZ-CG1 4.44Å; L325-I352 HydrophobicContact CD2-CD1 4.04Å; M348-I352 WeakPolarHBondContact O-CG1 3.37Å; M348-I352 PolarHBondContact O-N 3.37Å; A349-I352 PolarHBondContact O-N 3.33Å; I352-L355 PolarHBondContact O-N 2.87Å; I352-T356 HydrophobicContact CG2-CG2 4.35Å; I352-T356 WeakPolarHBondContact O-CB 3.4Å; I352-T356 WeakPolarHBondContact O-CG2 3.31Å; I352-T356 PolarHBondContact O-N 2.93Å; I352-T356 PolarHBondContact O-OG1 2.97Å; I352-L396 HydrophobicContact CB-CD2 4.37Å; I352-L396 HydrophobicContact CG1-CD2 3.91Å; I352-L396 HydrophobicContact CG2-CD2 3.99Å; I352-Y429 HydrophobicContact CG2-CD1 4.15Å; I352-Y429 HydrophobicContact CG2-CG 4.3Å; I352-V431 HydrophobicContact CD1-CG2 3.7Å; I352-I457 HydrophobicContact CD1-CD1 3.8Å |
| 353 | F | 83.7 | Confident | 79.7 | Confident | 76 Ų | 76 | 46.7 Ų | 46.7 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.8 | -52 | 173.2 | 170.1 | -112.5 | 0 | 0 | 0 | 111.8 | A349 R350 Q351 L355 T356 Q357 Y429 | A349-F353 WeakPolarHBondContact O-CB 3.47Å; A349-F353 PolarHBondContact O-N 2.83Å; R350-F353 PolarHBondContact O-N 3.41Å; Q351-F353 VanDerWaalsContact C-N 3.32Å; Q351-F353 PolarHBondContact O-N 3.06Å; F353-L355 VanDerWaalsContact C-N 3.34Å; F353-L355 PolarHBondContact O-N 2.95Å; F353-T356 CarbonylContact O-C 3.59Å; F353-T356 PolarHBondContact O-N 3.39Å; F353-T356 VanDerWaalsContact O-N 3.15Å; F353-T356 PolarHBondContact O-OG1 2.81Å; F353-Q357 HydrophobicContact CE2-CG 4.37Å; F353-Q357 HydrophobicContact CZ-CG 4.16Å; F353-Q357 WeakPolarHBondContact O-CB 3.3Å; F353-Q357 PolarHBondContact O-N 3.28Å; F353-Y429 HydrophobicContact CB-CD1 4.25Å; F353-Y429 HydrophobicContact CB-CE1 3.8Å; F353-Y429 HydrophobicContact CB-CE2 4.18Å; F353-Y429 AromaticContact CD2-CE1 3.76Å; F353-Y429 HydrophobicContact CD2-CE1 3.76Å; F353-Y429 AromaticContact CD2-CZ 3.63Å; F353-Y429 WeakPolarHBondContact CD2-OH 3.45Å; F353-Y429 HydrophobicContact CG-CE1 4.24Å |
| 354 | I | 81.5 | Confident | 77.8 | Confident | 91 Ų | 91 | 46.7 Ų | 46.7 | 47% | 0.467 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56 | -48.8 | 179.5 | -69 | 162 | 0 | 0 | 0 | 110.6 | R350 Q351 T356 Q357 | R350-I354 WeakPolarHBondContact O-CD1 3.48Å; R350-I354 VanDerWaalsContact O-CG1 3.29Å; R350-I354 WeakPolarHBondContact O-CG1 3.46Å; R350-I354 PolarHBondContact O-N 3.29Å; Q351-I354 PolarHBondContact O-N 2.69Å; I354-T356 VanDerWaalsContact C-N 3.31Å; I354-T356 PolarHBondContact O-N 2.66Å; I354-Q357 WeakPolarHBondContact O-CB 3.27Å; I354-Q357 PolarHBondContact O-N 3.01Å |
| 355 | L | 78.5 | Confident | 75.7 | Confident | 40 Ų | 40 | 53.5 Ų | 53.5 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -29.7 | -179.4 | -66.9 | 170 | 0 | 0 | 0 | 113.3 | F318 F322 Q351 I352 F353 I392 G393 | F318-L355 HydrophobicContact CE1-CD1 4.22Å; F318-L355 HydrophobicContact CZ-CD1 4.1Å; F322-L355 HydrophobicContact CD2-CD1 4.23Å; F322-L355 HydrophobicContact CE2-CD1 3.43Å; F322-L355 VanDerWaalsContact CE2-CD1 3.43Å; F322-L355 HydrophobicContact CZ-CD1 3.86Å; Q351-L355 WeakPolarHBondContact O-CG 3.49Å; Q351-L355 PolarHBondContact O-N 2.75Å; I352-L355 PolarHBondContact O-N 2.87Å; F353-L355 VanDerWaalsContact C-N 3.34Å; F353-L355 PolarHBondContact O-N 2.95Å; L355-I392 HydrophobicContact CD2-CG2 4.42Å; L355-G393 WeakPolarHBondContact O-CA 3.38Å |
| 356 | T | 78.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -95.6 | -6 | 179.5 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | I352 F353 I354 S358 Y359 F360 L396 A397 | I352-T356 HydrophobicContact CG2-CG2 4.35Å; I352-T356 WeakPolarHBondContact O-CB 3.4Å; I352-T356 WeakPolarHBondContact O-CG2 3.31Å; I352-T356 PolarHBondContact O-N 2.93Å; I352-T356 PolarHBondContact O-OG1 2.97Å; F353-T356 CarbonylContact O-C 3.59Å; F353-T356 PolarHBondContact O-N 3.39Å; F353-T356 VanDerWaalsContact O-N 3.15Å; F353-T356 PolarHBondContact O-OG1 2.81Å; I354-T356 VanDerWaalsContact C-N 3.31Å; I354-T356 PolarHBondContact O-N 2.66Å; T356-S358 VanDerWaalsContact C-N 3.32Å; T356-S358 PolarHBondContact O-N 3.23Å; T356-Y359 PolarHBondContact O-N 2.93Å; T356-F360 HydrophobicContact CG2-CE2 4.47Å; T356-F360 WeakPolarHBondContact O-CD2 3.31Å; T356-F360 PolarHBondContact O-N 3.04Å; T356-L396 HydrophobicContact CG2-CB 3.85Å; T356-L396 HydrophobicContact CG2-CD2 4.4Å; T356-A397 HydrophobicContact CG2-CB 4.3Å |
| 357 | Q | 76.8 | Confident | 71.1 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | -172.5 | -172.7 | 173.9 | 2.6 | 0 | 0 | 113 | F353 I354 F360 S361 | F353-Q357 HydrophobicContact CE2-CG 4.37Å; F353-Q357 HydrophobicContact CZ-CG 4.16Å; F353-Q357 WeakPolarHBondContact O-CB 3.3Å; F353-Q357 PolarHBondContact O-N 3.28Å; I354-Q357 WeakPolarHBondContact O-CB 3.27Å; I354-Q357 PolarHBondContact O-N 3.01Å; Q357-F360 PolarHBondContact O-N 3.05Å; Q357-S361 WeakPolarHBondContact O-CB 3.49Å; Q357-S361 PolarHBondContact O-N 3.08Å; Q357-S361 PolarHBondContact O-OG 3.32Å |
| 358 | S | 66.9 | Low | 68.9 | Low | 69 Ų | 69 | 70.6 Ų | 70.6 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 177.8 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | T356 S361 A362 | T356-S358 VanDerWaalsContact C-N 3.32Å; T356-S358 PolarHBondContact O-N 3.23Å; S358-S361 PolarHBondContact O-N 3.36Å; S358-A362 PolarHBondContact O-N 3.44Å |
| 359 | Y | 68.9 | Low | 66.4 | Low | 54 Ų | 54 | 76.5 Ų | 76.5 | 21% | 0.212 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 177.2 | 177.7 | -97.9 | 0 | 0 | 0 | 112.1 | T356 S361 A362 L363 T394 A397 | T356-Y359 PolarHBondContact O-N 2.93Å; Y359-S361 VanDerWaalsContact C-N 3.33Å; Y359-S361 PolarHBondContact O-N 3.11Å; Y359-A362 PolarHBondContact O-N 3.16Å; Y359-L363 HydrophobicContact CD1-CD1 3.97Å; Y359-L363 HydrophobicContact CE1-CD1 3.44Å; Y359-L363 VanDerWaalsContact CE1-CD1 3.44Å; Y359-L363 PolarHBondContact O-N 3.27Å; Y359-T394 HydrophobicContact CD2-CG2 3.84Å; Y359-T394 HydrophobicContact CE2-CG2 3.86Å; Y359-A397 HydrophobicContact CD1-CB 3.29Å; Y359-A397 HydrophobicContact CE1-CB 3.47Å; Y359-A397 VanDerWaalsContact CE1-CB 3.47Å; Y359-A397 HydrophobicContact CG-CB 3.96Å |
| 360 | F | 68 | Low | 63.7 | Low | 27 Ų | 27 | 82.8 Ų | 82.8 | 12% | 0.118 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.8 | -27.1 | 179.3 | -66.5 | -53.9 | 0 | 0 | 0 | 113.6 | T356 Q357 L363 H364 A397 R402 | T356-F360 HydrophobicContact CG2-CE2 4.47Å; T356-F360 WeakPolarHBondContact O-CD2 3.31Å; T356-F360 PolarHBondContact O-N 3.04Å; Q357-F360 PolarHBondContact O-N 3.05Å; F360-L363 HydrophobicContact CD1-CD1 4.02Å; F360-L363 HydrophobicContact CE1-CD1 4.47Å; F360-L363 PolarHBondContact O-N 3.04Å; F360-H364 PolarHBondContact O-CD2 3.27Å; F360-H364 PolarHBondContact O-N 3.47Å; F360-A397 HydrophobicContact CE1-CB 4.45Å; F360-A397 HydrophobicContact CE2-CB 4.47Å; F360-A397 HydrophobicContact CZ-CB 4Å; F360-R402 VanDerWaalsContact CE1-CZ 3.5Å; F360-R402 VanDerWaalsContact CE1-NH2 3.26Å |
| 361 | S | 64.6 | Low | 61 | Low | 60 Ų | 60 | 80.8 Ų | 80.8 | 42% | 0.42 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 173.2 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | Q357 S358 Y359 | Q357-S361 WeakPolarHBondContact O-CB 3.49Å; Q357-S361 PolarHBondContact O-N 3.08Å; Q357-S361 PolarHBondContact O-OG 3.32Å; S358-S361 PolarHBondContact O-N 3.36Å; Y359-S361 VanDerWaalsContact C-N 3.33Å; Y359-S361 PolarHBondContact O-N 3.11Å |
| 362 | A | 57.3 | Low | 58.5 | Low | 57 Ų | 57 | 88.9 Ų | 88.9 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.6 | -32.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S358 Y359 N366 | S358-A362 PolarHBondContact O-N 3.44Å; Y359-A362 PolarHBondContact O-N 3.16Å; A362-N366 PolarHBondContact O-ND2 3.02Å |
| 363 | L | 55.8 | Low | 55.9 | Low | 64 Ų | 64 | 92.7 Ų | 92.7 | 34% | 0.335 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -48.5 | 175.9 | -83.3 | 165 | 0 | 0 | 0 | 112.6 | Y359 F360 Q365 N366 | Y359-L363 HydrophobicContact CD1-CD1 3.97Å; Y359-L363 HydrophobicContact CE1-CD1 3.44Å; Y359-L363 VanDerWaalsContact CE1-CD1 3.44Å; Y359-L363 PolarHBondContact O-N 3.27Å; F360-L363 HydrophobicContact CD1-CD1 4.02Å; F360-L363 HydrophobicContact CE1-CD1 4.47Å; F360-L363 PolarHBondContact O-N 3.04Å; L363-Q365 PolarHBondContact O-N 3.06Å; L363-N366 PolarHBondContact O-N 3.22Å; L363-N366 VanDerWaalsContact O-N 3.07Å |
| 364 | H | 52.6 | Low | 53.6 | Low | 104 Ų | 104 | 94.8 Ų | 94.8 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -23.2 | -177.8 | -81.8 | -61.2 | 0 | 0 | 0 | 114 | F360 N366 E367 | F360-H364 PolarHBondContact O-CD2 3.27Å; F360-H364 PolarHBondContact O-N 3.47Å; H364-N366 PolarHBondContact O-N 3.16Å; H364-E367 IonicContact CE1-OE2 2.83Å; H364-E367 PolarHBondContact CE1-OE2 3.44Å; H364-E367 IonicContact CG-OE2 3.3Å; H364-E367 IonicContact ND1-OE1 3.99Å; H364-E367 IonicContact ND1-OE2 3.93Å; H364-E367 PolarHBondContact ND1-OE2 3.38Å; H364-E367 PolarHBondContact O-N 3.42Å |
| 365 | Q | 47.8 | Very low | 51.6 | Low | 159 Ų | 159 | 97 Ų | 97 | 74% | 0.743 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.8 | 175 | -71.7 | -177.3 | 0.5 | 0 | 0 | 113.6 | L363 | L363-Q365 PolarHBondContact O-N 3.06Š|
| 366 | N | 45.3 | Very low | 49.9 | Very low | 120 Ų | 120 | 97 Ų | 97 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -6.6 | -179.9 | -69.6 | -58.9 | 0 | 0 | 0 | 114.5 | A362 L363 H364 H368 | A362-N366 PolarHBondContact O-ND2 3.02Å; L363-N366 PolarHBondContact O-N 3.22Å; L363-N366 VanDerWaalsContact O-N 3.07Å; H364-N366 PolarHBondContact O-N 3.16Å; N366-H368 PolarHBondContact O-N 3.08Å; N366-H368 VanDerWaalsContact O-N 3.16Å |
| 367 | E | 42.2 | Very low | 48 | Very low | 130 Ų | 130 | 101 Ų | 101 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -2.1 | -175.3 | -69.4 | -174.7 | 142.2 | 0 | 0 | 114.6 | H364 N369 | H364-E367 IonicContact CE1-OE2 2.83Å; H364-E367 PolarHBondContact CE1-OE2 3.44Å; H364-E367 IonicContact CG-OE2 3.3Å; H364-E367 IonicContact ND1-OE1 3.99Å; H364-E367 IonicContact ND1-OE2 3.93Å; H364-E367 PolarHBondContact ND1-OE2 3.38Å; H364-E367 PolarHBondContact O-N 3.42Å; E367-N369 VanDerWaalsContact C-N 3.31Å; E367-N369 PolarHBondContact O-N 3.29Å |
| 368 | H | 43 | Very low | 46.3 | Very low | 174 Ų | 174 | 101.8 Ų | 101.8 | 81% | 0.806 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -1.5 | -175.4 | -94.4 | -60.2 | 0 | 0 | 0 | 116.1 | N366 | N366-H368 PolarHBondContact O-N 3.08Å; N366-H368 VanDerWaalsContact O-N 3.16Å |
| 369 | N | 37.2 | Very low | 45.2 | Very low | 127 Ų | 127 | 102.8 Ų | 102.8 | 68% | 0.679 | 56% | 0.564 | S | S | * | * | trans | -115.1 | 105.4 | 170.8 | -90.8 | -28.1 | 0 | 0 | 0 | 110.8 | E367 S371 | E367-N369 VanDerWaalsContact C-N 3.31Å; E367-N369 PolarHBondContact O-N 3.29Å; N369-S371 VanDerWaalsContact C-N 3.25Å; N369-S371 PolarHBondContact O-N 3.42Å; N369-S371 VanDerWaalsContact O-N 3.16Å | ||
| 370 | P | 31.9 | Very low | 43.9 | Very low | 134 Ų | 134 | 104.8 Ų | 104.8 | 87% | 0.87 | 59% | 0.585 | S | S | * | * | trans | -85 | 21.8 | -171.1 | 35.3 | -37.7 | 0 | 0 | 0 | 114.9 | ||||
| 371 | S | 31.7 | Very low | 42.6 | Very low | 87 Ų | 87 | 111.2 Ų | 111.2 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -132.4 | 130 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | N369 | N369-S371 VanDerWaalsContact C-N 3.25Å; N369-S371 PolarHBondContact O-N 3.42Å; N369-S371 VanDerWaalsContact O-N 3.16Å |
| 372 | E | 30.1 | Very low | 41.5 | Very low | 203 Ų | 203 | 112.7 Ų | 112.7 | 95% | 0.949 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 66 | 55.5 | 177.1 | -54.2 | -171.5 | 168.4 | 0 | 0 | 115.9 | ||
| 373 | A | 30.6 | Very low | 40.9 | Very low | 81 Ų | 81 | 112.9 Ų | 112.9 | 67% | 0.669 | 61% | 0.614 | S | S | * | * | trans | -129.8 | 84 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I375 | A373-I375 PolarHBondContact O-N 2.95Š| ||
| 374 | N | 37.1 | Very low | 40.4 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 64% | 0.642 | 64% | 0.635 | S | S | * | * | trans | -83.8 | 107.2 | 171.7 | -160.7 | 27.3 | 0 | 0 | 0 | 108 | G376 D377 | N374-G376 PolarHBondContact O-N 2.92Å; N374-D377 VanDerWaalsContact CB-OD2 3.3Å; N374-D377 WeakPolarHBondContact CB-OD2 3.49Å; N374-D377 PolarHBondContact ND2-OD2 2.7Å; N374-D377 PolarHBondContact O-N 3.48Å | ||
| 375 | I | 39.4 | Very low | 40.3 | Very low | 137 Ų | 137 | 115.3 Ų | 115.3 | 70% | 0.703 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -23 | -164.4 | -67 | 172.7 | 0 | 0 | 0 | 113.5 | A373 | A373-I375 PolarHBondContact O-N 2.95Š|
| 376 | G | 42.9 | Very low | 40.5 | Very low | 41 Ų | 41 | 113 Ų | 113 | 42% | 0.423 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.6 | -32.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N374 L378 I379 C380 | N374-G376 PolarHBondContact O-N 2.92Å; G376-L378 VanDerWaalsContact C-N 3.27Å; G376-L378 PolarHBondContact O-N 2.86Å; G376-I379 PolarHBondContact O-N 2.97Å; G376-C380 PolarHBondContact O-N 3.4Å |
| 377 | D | 38.7 | Very low | 40.8 | Very low | 83 Ų | 83 | 110.5 Ų | 110.5 | 44% | 0.444 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -73.8 | -16.2 | -172.1 | -73.7 | -53.9 | 0 | 0 | 0 | 113.7 | N374 K381 | N374-D377 VanDerWaalsContact CB-OD2 3.3Å; N374-D377 WeakPolarHBondContact CB-OD2 3.49Å; N374-D377 PolarHBondContact ND2-OD2 2.7Å; N374-D377 PolarHBondContact O-N 3.48Å; D377-K381 WeakPolarHBondContact O-CG 3.36Å |
| 378 | L | 41 | Very low | 41.2 | Very low | 106 Ų | 106 | 106.5 Ų | 106.5 | 56% | 0.555 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.5 | -29.3 | 174.1 | -154.7 | 75.7 | 0 | 0 | 0 | 112.2 | G376 | G376-L378 VanDerWaalsContact C-N 3.27Å; G376-L378 PolarHBondContact O-N 2.86Å |
| 379 | I | 44.3 | Very low | 41.6 | Very low | 90 Ų | 90 | 102.9 Ų | 102.9 | 46% | 0.462 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -76 | -39 | 178.3 | -61.6 | 174.8 | 0 | 0 | 0 | 109.9 | G376 K381 L398 | G376-I379 PolarHBondContact O-N 2.97Å; I379-K381 VanDerWaalsContact C-N 3.27Å; I379-K381 PolarHBondContact O-N 2.97Å; I379-L398 HydrophobicContact CG2-CD2 4.36Å |
| 380 | C | 41.1 | Very low | 42.6 | Very low | 97 Ų | 97 | 101.5 Ų | 101.5 | 66% | 0.655 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 2.3 | -178.6 | -62.3 | 0 | 0 | 0 | 0 | 115.5 | G376 | G376-C380 PolarHBondContact O-N 3.4Š|
| 381 | K | 40.4 | Very low | 44.4 | Very low | 162 Ų | 162 | 98.5 Ų | 98.5 | 70% | 0.704 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -13.1 | 178.1 | -73.9 | 179.9 | -178.5 | 172 | 0 | 114.7 | D377 I379 | D377-K381 WeakPolarHBondContact O-CG 3.36Å; I379-K381 VanDerWaalsContact C-N 3.27Å; I379-K381 PolarHBondContact O-N 2.97Å |
| 382 | N | 42.3 | Very low | 46.2 | Very low | 90 Ų | 90 | 96.3 Ų | 96.3 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -116.2 | 12.1 | -178.6 | -69 | -3.1 | 0 | 0 | 0 | 112.9 | D384 | N382-D384 PolarHBondContact O-N 3.26Š|
| 383 | S | 43.4 | Very low | 48.1 | Very low | 62 Ų | 62 | 86.7 Ų | 86.7 | 43% | 0.434 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.5 | 178.3 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | H389 | S383-H389 PolarHBondContact O-NE2 2.87Š|
| 384 | D | 46.3 | Very low | 50 | Low | 147 Ų | 147 | 83.6 Ų | 83.6 | 79% | 0.786 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 1.3 | -168 | -59.6 | 7.8 | 0 | 0 | 0 | 112 | N382 P386 | N382-D384 PolarHBondContact O-N 3.26Å; D384-P386 WeakPolarHBondContact O-CD 3.42Å |
| 385 | D | 50.2 | Low | 51.8 | Low | 72 Ų | 72 | 81.5 Ų | 81.5 | 39% | 0.385 | 46% | 0.458 | S | S | . | . | trans | -92.2 | 112.1 | 176.6 | -172 | -29.3 | 0 | 0 | 0 | 110.8 | S387 V388 | D385-S387 VanDerWaalsContact CG-OG 3.24Å; D385-S387 PolarHBondContact O-N 2.87Å; D385-S387 VanDerWaalsContact OD1-CB 3.23Å; D385-S387 WeakPolarHBondContact OD1-CB 3.34Å; D385-S387 PolarHBondContact OD1-N 3.19Å; D385-S387 PolarHBondContact OD1-OG 3.03Å; D385-S387 PolarHBondContact OD2-OG 3.29Å; D385-V388 HydrophobicContact CB-CG2 3.96Å; D385-V388 PolarHBondContact O-N 3.34Å | ||
| 386 | P | 52.7 | Low | 53.5 | Low | 109 Ų | 109 | 75 Ų | 75 | 71% | 0.708 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -17.4 | -178.3 | 28.2 | -35.2 | 0 | 0 | 0 | 113.7 | D384 | D384-P386 WeakPolarHBondContact O-CD 3.42Š|
| 387 | S | 51.1 | Low | 55.1 | Low | 69 Ų | 69 | 73.5 Ų | 73.5 | 48% | 0.483 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -36.9 | 176.1 | 73.2 | 0 | 0 | 0 | 0 | 112 | D385 H389 S390 | D385-S387 VanDerWaalsContact CG-OG 3.24Å; D385-S387 PolarHBondContact O-N 2.87Å; D385-S387 VanDerWaalsContact OD1-CB 3.23Å; D385-S387 WeakPolarHBondContact OD1-CB 3.34Å; D385-S387 PolarHBondContact OD1-N 3.19Å; D385-S387 PolarHBondContact OD1-OG 3.03Å; D385-S387 PolarHBondContact OD2-OG 3.29Å; S387-H389 VanDerWaalsContact C-N 3.27Å; S387-H389 PolarHBondContact O-N 3.4Å; S387-S390 WeakPolarHBondContact O-CB 3.39Å; S387-S390 PolarHBondContact O-N 3Å; S387-S390 VanDerWaalsContact O-N 3.07Å; S387-S390 PolarHBondContact O-OG 3.16Å |
| 388 | V | 49.7 | Very low | 56.9 | Low | 45 Ų | 45 | 73.1 Ų | 73.1 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -63.7 | -35.3 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | D385 S390 T394 | D385-V388 HydrophobicContact CB-CG2 3.96Å; D385-V388 PolarHBondContact O-N 3.34Å; V388-S390 VanDerWaalsContact C-N 3.32Å; V388-S390 PolarHBondContact O-N 3.43Å; V388-T394 HydrophobicContact CG1-CG2 3.8Å |
| 389 | H | 52.4 | Low | 58.6 | Low | 98 Ų | 98 | 71.1 Ų | 71.1 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -75.3 | -13.4 | 175.8 | -75.7 | -71.2 | 0 | 0 | 0 | 114.7 | S383 S387 R395 | S383-H389 PolarHBondContact O-NE2 2.87Å; S387-H389 VanDerWaalsContact C-N 3.27Å; S387-H389 PolarHBondContact O-N 3.4Å; H389-R395 WeakPolarHBondContact O-CD 3.47Å; H389-R395 WeakPolarHBondContact O-CG 3.27Å |
| 390 | S | 57.9 | Low | 60.4 | Low | 98 Ų | 98 | 67.8 Ų | 67.8 | 69% | 0.685 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -73.9 | -28.2 | 178.7 | 73.3 | 0 | 0 | 0 | 0 | 113.4 | S387 V388 I392 | S387-S390 WeakPolarHBondContact O-CB 3.39Å; S387-S390 PolarHBondContact O-N 3Å; S387-S390 VanDerWaalsContact O-N 3.07Å; S387-S390 PolarHBondContact O-OG 3.16Å; V388-S390 VanDerWaalsContact C-N 3.32Å; V388-S390 PolarHBondContact O-N 3.43Å; S390-I392 PolarHBondContact O-N 3.19Å |
| 391 | N | 68.4 | Low | 62.3 | Low | 71 Ų | 71 | 66.3 Ų | 66.3 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | trans | -83.7 | 118.4 | -174.6 | -172.8 | -63.5 | 0 | 0 | 0 | 111.6 | G393 T394 R395 | N391-G393 VanDerWaalsContact C-N 3.27Å; N391-G393 PolarHBondContact O-N 3.04Å; N391-G393 WeakPolarHBondContact OD1-CA 3.43Å; N391-G393 PolarHBondContact OD1-N 3.45Å; N391-T394 PolarHBondContact O-N 2.93Å; N391-T394 VanDerWaalsContact O-N 3.13Å; N391-T394 PolarHBondContact OD1-N 2.72Å; N391-R395 PolarHBondContact O-N 3.32Å | ||
| 392 | I | 69.7 | Low | 64.2 | Low | 41 Ų | 41 | 64.5 Ų | 64.5 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.3 | -33.3 | -175.6 | -133.5 | 163.8 | 0 | 0 | 0 | 112.8 | F322 L326 L355 S390 L396 | F322-I392 HydrophobicContact CE1-CD1 3.8Å; F322-I392 HydrophobicContact CE1-CG1 4.04Å; F322-I392 HydrophobicContact CZ-CD1 4.17Å; F322-I392 HydrophobicContact CZ-CG1 4.01Å; F322-I392 HydrophobicContact CZ-CG2 4.2Å; L326-I392 HydrophobicContact CD1-CD1 4.13Å; L326-I392 HydrophobicContact CD1-CG1 4.03Å; L326-I392 HydrophobicContact CD2-CG1 4.1Å; L355-I392 HydrophobicContact CD2-CG2 4.42Å; S390-I392 PolarHBondContact O-N 3.19Å; I392-L396 PolarHBondContact O-N 2.9Å |
| 393 | G | 70.5 | Confident | 65.8 | Low | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.1 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L355 N391 L396 A397 | L355-G393 WeakPolarHBondContact O-CA 3.38Å; N391-G393 VanDerWaalsContact C-N 3.27Å; N391-G393 PolarHBondContact O-N 3.04Å; N391-G393 WeakPolarHBondContact OD1-CA 3.43Å; N391-G393 PolarHBondContact OD1-N 3.45Å; G393-L396 PolarHBondContact O-N 2.85Å; G393-A397 WeakPolarHBondContact O-CB 3.16Å; G393-A397 PolarHBondContact O-N 3.03Å |
| 394 | T | 70.7 | Confident | 67.5 | Low | 17 Ų | 17 | 61.7 Ų | 61.7 | 10% | 0.104 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 174.8 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | Y359 V388 N391 L396 A397 L398 | Y359-T394 HydrophobicContact CD2-CG2 3.84Å; Y359-T394 HydrophobicContact CE2-CG2 3.86Å; V388-T394 HydrophobicContact CG1-CG2 3.8Å; N391-T394 PolarHBondContact O-N 2.93Å; N391-T394 VanDerWaalsContact O-N 3.13Å; N391-T394 PolarHBondContact OD1-N 2.72Å; T394-L396 VanDerWaalsContact C-N 3.28Å; T394-L396 PolarHBondContact O-N 3.2Å; T394-A397 PolarHBondContact O-N 3.24Å; T394-L398 HydrophobicContact CG2-CD1 4.16Å; T394-L398 WeakPolarHBondContact O-CG 3.35Å; T394-L398 PolarHBondContact O-N 2.84Å |
| 395 | R | 74 | Confident | 69.3 | Low | 76 Ų | 76 | 54.8 Ų | 54.8 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.8 | -40.9 | 172.4 | -78.7 | -178.4 | 62.6 | -176.3 | -0.6 | 112.5 | L326 H389 N391 Q399 | L326-R395 HydrophobicContact CD2-CB 4Å; L326-R395 PolarHBondContact O-NH2 3.09Å; H389-R395 WeakPolarHBondContact O-CD 3.47Å; H389-R395 WeakPolarHBondContact O-CG 3.27Å; N391-R395 PolarHBondContact O-N 3.32Å; R395-Q399 WeakPolarHBondContact O-CG 3.39Å |
| 396 | L | 76 | Confident | 70.7 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.9 | -46.8 | 177.4 | -116.6 | 76 | 0 | 0 | 0 | 112.8 | F322 L325 L326 I352 T356 I392 G393 T394 L398 Q399 | F322-L396 HydrophobicContact CD2-CD1 4.13Å; F322-L396 HydrophobicContact CD2-CD2 4.09Å; F322-L396 HydrophobicContact CE1-CD1 4.46Å; F322-L396 HydrophobicContact CE2-CD1 3.43Å; F322-L396 VanDerWaalsContact CE2-CD1 3.43Å; F322-L396 HydrophobicContact CE2-CD2 3.49Å; F322-L396 VanDerWaalsContact CE2-CD2 3.49Å; F322-L396 HydrophobicContact CE2-CG 4.1Å; F322-L396 HydrophobicContact CZ-CD1 3.64Å; F322-L396 HydrophobicContact CZ-CD2 4.39Å; L325-L396 HydrophobicContact CD2-CD1 4.13Å; L325-L396 HydrophobicContact CD2-CD2 3.76Å; L325-L396 HydrophobicContact CD2-CG 3.75Å; L325-L396 HydrophobicContact CG-CG 4.41Å; L326-L396 HydrophobicContact CD2-CD1 3.57Å; L326-L396 HydrophobicContact CG-CD1 4.02Å; I352-L396 HydrophobicContact CB-CD2 4.37Å; I352-L396 HydrophobicContact CG1-CD2 3.91Å; I352-L396 HydrophobicContact CG2-CD2 3.99Å; T356-L396 HydrophobicContact CG2-CB 3.85Å; T356-L396 HydrophobicContact CG2-CD2 4.4Å; I392-L396 PolarHBondContact O-N 2.9Å; G393-L396 PolarHBondContact O-N 2.85Å; T394-L396 VanDerWaalsContact C-N 3.28Å; T394-L396 PolarHBondContact O-N 3.2Å; L396-L398 VanDerWaalsContact C-N 3.25Å; L396-L398 PolarHBondContact O-N 3.21Å; L396-Q399 PolarHBondContact O-N 2.98Å |
| 397 | A | 76 | Confident | 72 | Confident | 9 Ų | 9 | 54 Ų | 54 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -35.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T356 Y359 F360 G393 T394 Q399 L400 | T356-A397 HydrophobicContact CG2-CB 4.3Å; Y359-A397 HydrophobicContact CD1-CB 3.29Å; Y359-A397 HydrophobicContact CE1-CB 3.47Å; Y359-A397 VanDerWaalsContact CE1-CB 3.47Å; Y359-A397 HydrophobicContact CG-CB 3.96Å; F360-A397 HydrophobicContact CE1-CB 4.45Å; F360-A397 HydrophobicContact CE2-CB 4.47Å; F360-A397 HydrophobicContact CZ-CB 4Å; G393-A397 WeakPolarHBondContact O-CB 3.16Å; G393-A397 PolarHBondContact O-N 3.03Å; T394-A397 PolarHBondContact O-N 3.24Å; A397-Q399 VanDerWaalsContact C-N 3.28Å; A397-Q399 PolarHBondContact O-N 3.3Å; A397-L400 PolarHBondContact O-N 2.91Å |
| 398 | L | 76.8 | Confident | 73.4 | Confident | 74 Ų | 74 | 50.9 Ų | 50.9 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -14.7 | 175.9 | -68.2 | 170.2 | 0 | 0 | 0 | 114.3 | I379 T394 L396 | I379-L398 HydrophobicContact CG2-CD2 4.36Å; T394-L398 HydrophobicContact CG2-CD1 4.16Å; T394-L398 WeakPolarHBondContact O-CG 3.35Å; T394-L398 PolarHBondContact O-N 2.84Å; L396-L398 VanDerWaalsContact C-N 3.25Å; L396-L398 PolarHBondContact O-N 3.21Å |
| 399 | Q | 77.3 | Confident | 75 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5.8 | 176.5 | -69.7 | -66.7 | -28.2 | 0 | 0 | 113.6 | R395 L396 A397 R456 | R395-Q399 WeakPolarHBondContact O-CG 3.39Å; L396-Q399 PolarHBondContact O-N 2.98Å; A397-Q399 VanDerWaalsContact C-N 3.28Å; A397-Q399 PolarHBondContact O-N 3.3Å; Q399-R456 PolarHBondContact O-NE 2.68Å; Q399-R456 PolarHBondContact O-NH2 2.79Å |
| 400 | L | 80.8 | Confident | 76.1 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | trans | -108.2 | 112.6 | -173.6 | -64.4 | 177 | 0 | 0 | 0 | 111.9 | A397 R402 R456 | A397-L400 PolarHBondContact O-N 2.91Å; L400-R402 PolarHBondContact O-N 2.57Å; L400-R456 HydrophobicContact CD2-CG 4.32Å | ||
| 401 | D | 82.1 | Confident | 77.1 | Confident | 66 Ų | 66 | 43.9 Ų | 43.9 | 35% | 0.353 | 23% | 0.233 | S | C | . | . | trans | -74.9 | 94.1 | 170 | 174.6 | 20 | 0 | 0 | 0 | 111 | S403 G404 L405 L454 | D401-S403 PolarHBondContact O-N 3.19Å; D401-S403 WeakPolarHBondContact OD1-CA 3.49Å; D401-S403 WeakPolarHBondContact OD1-CB 3.33Å; D401-S403 PolarHBondContact OD1-N 3.01Å; D401-S403 PolarHBondContact OD1-OG 3.5Å; D401-S403 PolarHBondContact OD2-OG 3.24Å; D401-G404 VanDerWaalsContact CG-N 3.31Å; D401-G404 PolarHBondContact OD1-N 3.26Å; D401-G404 WeakPolarHBondContact OD2-CA 3.31Å; D401-G404 PolarHBondContact OD2-N 3.08Å; D401-L405 WeakPolarHBondContact O-CB 3.44Å; D401-L405 VanDerWaalsContact O-CG 3.22Å; D401-L405 WeakPolarHBondContact O-CG 3.45Å; D401-L405 PolarHBondContact O-N 3.25Å; D401-L454 HydrophobicContact CB-CD2 3.97Å; D401-L454 VanDerWaalsContact OD2-CD2 3.23Å; D401-L454 WeakPolarHBondContact OD2-CD2 3.45Å | ||
| 402 | R | 79.2 | Confident | 77.7 | Confident | 125 Ų | 125 | 40.5 Ų | 40.5 | 47% | 0.472 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.1 | -31.5 | 172.6 | -89.8 | -170.1 | 172.3 | -162.1 | -0.2 | 113.1 | F360 L400 V406 | F360-R402 VanDerWaalsContact CE1-CZ 3.5Å; F360-R402 VanDerWaalsContact CE1-NH2 3.26Å; L400-R402 PolarHBondContact O-N 2.57Å; R402-V406 WeakPolarHBondContact O-CB 3.33Å; R402-V406 VanDerWaalsContact O-CG2 3.24Å; R402-V406 WeakPolarHBondContact O-CG2 3.42Å; R402-V406 PolarHBondContact O-N 3.44Å |
| 403 | S | 76.3 | Confident | 78.1 | Confident | 82 Ų | 82 | 43 Ų | 43 | 57% | 0.573 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -75 | -47.1 | -174 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | D401 T407 | D401-S403 PolarHBondContact O-N 3.19Å; D401-S403 WeakPolarHBondContact OD1-CA 3.49Å; D401-S403 WeakPolarHBondContact OD1-CB 3.33Å; D401-S403 PolarHBondContact OD1-N 3.01Å; D401-S403 PolarHBondContact OD1-OG 3.5Å; D401-S403 PolarHBondContact OD2-OG 3.24Å; S403-T407 PolarHBondContact O-N 3.46Å; S403-T407 VanDerWaalsContact O-N 3.12Å; S403-T407 PolarHBondContact O-OG1 3.24Å |
| 404 | G | 78.6 | Confident | 78.1 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D401 T407 C408 | D401-G404 VanDerWaalsContact CG-N 3.31Å; D401-G404 PolarHBondContact OD1-N 3.26Å; D401-G404 WeakPolarHBondContact OD2-CA 3.31Å; D401-G404 PolarHBondContact OD2-N 3.08Å; G404-T407 WeakPolarHBondContact O-CA 3.46Å; G404-T407 WeakPolarHBondContact O-CB 3.42Å; G404-T407 PolarHBondContact O-N 3.18Å; G404-T407 VanDerWaalsContact O-N 3.14Å; G404-C408 PolarHBondContact O-N 3.4Å |
| 405 | L | 84.6 | Confident | 78.2 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 178.1 | -73.2 | 172 | 0 | 0 | 0 | 113.1 | D401 T407 C408 V409 L427 L454 I455 | D401-L405 WeakPolarHBondContact O-CB 3.44Å; D401-L405 VanDerWaalsContact O-CG 3.22Å; D401-L405 WeakPolarHBondContact O-CG 3.45Å; D401-L405 PolarHBondContact O-N 3.25Å; L405-T407 VanDerWaalsContact C-N 3.28Å; L405-T407 PolarHBondContact O-N 3.05Å; L405-C408 PolarHBondContact O-N 3.36Å; L405-V409 WeakPolarHBondContact O-CG2 3.48Å; L405-V409 PolarHBondContact O-N 3.34Å; L405-L427 WeakPolarHBondContact CD1-O 3.41Å; L405-L427 WeakPolarHBondContact CD2-O 3.47Å; L405-L454 HydrophobicContact CD2-CB 4.14Å; L405-L454 WeakPolarHBondContact CD2-O 3.35Å; L405-L454 HydrophobicContact CG-CB 4.46Å; L405-I455 HydrophobicContact CD2-CG1 4.11Å |
| 406 | V | 80.9 | Confident | 77.9 | Confident | 92 Ų | 92 | 44.2 Ų | 44.2 | 56% | 0.558 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.4 | -40.4 | 171.1 | 166 | 0 | 0 | 0 | 0 | 110.6 | R402 V409 D410 | R402-V406 WeakPolarHBondContact O-CB 3.33Å; R402-V406 VanDerWaalsContact O-CG2 3.24Å; R402-V406 WeakPolarHBondContact O-CG2 3.42Å; R402-V406 PolarHBondContact O-N 3.44Å; V406-V409 PolarHBondContact O-N 3.4Å; V406-D410 PolarHBondContact O-N 2.64Å |
| 407 | T | 78.5 | Confident | 77.7 | Confident | 71 Ų | 71 | 44.3 Ų | 44.3 | 44% | 0.436 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | S403 G404 L405 V409 D410 Q411 | S403-T407 PolarHBondContact O-N 3.46Å; S403-T407 VanDerWaalsContact O-N 3.12Å; S403-T407 PolarHBondContact O-OG1 3.24Å; G404-T407 WeakPolarHBondContact O-CA 3.46Å; G404-T407 WeakPolarHBondContact O-CB 3.42Å; G404-T407 PolarHBondContact O-N 3.18Å; G404-T407 VanDerWaalsContact O-N 3.14Å; L405-T407 VanDerWaalsContact C-N 3.28Å; L405-T407 PolarHBondContact O-N 3.05Å; T407-V409 PolarHBondContact O-N 2.81Å; T407-D410 PolarHBondContact O-N 3.07Å; T407-Q411 WeakPolarHBondContact O-CG 3.29Å; T407-Q411 PolarHBondContact O-N 3.16Å |
| 408 | C | 81 | Confident | 77.6 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -40.4 | 175 | -69 | 0 | 0 | 0 | 0 | 112.6 | G404 L405 D410 Q411 L412 I445 | G404-C408 PolarHBondContact O-N 3.4Å; L405-C408 PolarHBondContact O-N 3.36Å; C408-D410 VanDerWaalsContact C-N 3.35Å; C408-Q411 PolarHBondContact O-N 3Å; C408-L412 WeakPolarHBondContact O-CG 3.08Å; C408-L412 PolarHBondContact O-N 2.98Å; C408-I445 HydrophobicContact CB-CG2 4.21Å |
| 409 | V | 83.7 | Confident | 77.8 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 15% | 0.145 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 174.8 | 166 | 0 | 0 | 0 | 0 | 111.2 | L405 V406 T407 L412 K413 L419 L427 | L405-V409 WeakPolarHBondContact O-CG2 3.48Å; L405-V409 PolarHBondContact O-N 3.34Å; V406-V409 PolarHBondContact O-N 3.4Å; T407-V409 PolarHBondContact O-N 2.81Å; V409-L412 PolarHBondContact O-N 2.88Å; V409-K413 WeakPolarHBondContact O-CG 3.4Å; V409-K413 PolarHBondContact O-N 3.47Å; V409-K413 VanDerWaalsContact O-N 3.08Å; V409-L419 HydrophobicContact CG1-CD2 3.91Å; V409-L427 HydrophobicContact CG2-CB 3.65Å; V409-L427 HydrophobicContact CG2-CD1 3.84Å; V409-L427 HydrophobicContact CG2-CG 4.4Å |
| 410 | D | 75.7 | Confident | 78.3 | Confident | 45 Ų | 45 | 41.5 Ų | 41.5 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.7 | -27.9 | 179.9 | -111.5 | 50.3 | 0 | 0 | 0 | 113.4 | V406 T407 C408 K413 R414 | V406-D410 PolarHBondContact O-N 2.64Å; T407-D410 PolarHBondContact O-N 3.07Å; C408-D410 VanDerWaalsContact C-N 3.35Å; D410-K413 IonicContact OD1-NZ 3.98Å; D410-K413 PolarHBondContact OD1-NZ 2.8Å; D410-R414 VanDerWaalsContact CG-NH1 3.25Å; D410-R414 PolarHBondContact O-NH1 2.79Å; D410-R414 IonicContact OD2-CZ 2.79Å; D410-R414 IonicContact OD2-NH1 2.91Å; D410-R414 PolarHBondContact OD2-NH1 2.91Å; D410-R414 IonicContact OD2-NH2 3.79Å; D410-R414 PolarHBondContact OD2-NH2 3.08Å |
| 411 | Q | 78.1 | Confident | 78.5 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -50.6 | 167.5 | -71.8 | 168.3 | -11.2 | 0 | 0 | 110.9 | T407 C408 K413 R414 C415 I445 | T407-Q411 WeakPolarHBondContact O-CG 3.29Å; T407-Q411 PolarHBondContact O-N 3.16Å; C408-Q411 PolarHBondContact O-N 3Å; Q411-K413 VanDerWaalsContact C-N 3.3Å; Q411-K413 PolarHBondContact O-N 3.41Å; Q411-R414 CarbonylContact O-C 3.54Å; Q411-R414 WeakPolarHBondContact O-CA 3.38Å; Q411-R414 PolarHBondContact O-N 2.84Å; Q411-C415 PolarHBondContact O-N 3.15Å; Q411-I445 HydrophobicContact CB-CD1 3.87Å; Q411-I445 HydrophobicContact CB-CG1 4.4Å; Q411-I445 HydrophobicContact CB-CG2 4.38Å |
| 412 | L | 82.2 | Confident | 78.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.7 | -34.4 | -179.7 | -73.3 | 165.6 | 0 | 0 | 0 | 113.3 | C408 V409 R414 C415 G418 L419 L423 L427 E442 I445 | C408-L412 WeakPolarHBondContact O-CG 3.08Å; C408-L412 PolarHBondContact O-N 2.98Å; V409-L412 PolarHBondContact O-N 2.88Å; L412-R414 PolarHBondContact O-N 3.33Å; L412-C415 PolarHBondContact O-N 3.23Å; L412-G418 CarbonylContact O-C 3.57Å; L412-L419 HydrophobicContact CB-CD1 3.68Å; L412-L419 HydrophobicContact CD1-CD1 4.22Å; L412-L419 PolarHBondContact O-N 2.81Å; L412-L423 HydrophobicContact CD1-CD1 4.44Å; L412-L427 HydrophobicContact CD1-CD1 3.39Å; L412-E442 HydrophobicContact CD2-CB 4.03Å; L412-E442 HydrophobicContact CD2-CG 4Å; L412-I445 HydrophobicContact CD1-CG2 4.42Å; L412-I445 HydrophobicContact CD2-CB 4.26Å; L412-I445 HydrophobicContact CD2-CD1 3.93Å; L412-I445 HydrophobicContact CD2-CG2 4.35Å; L412-I445 HydrophobicContact CG-CB 4.48Å; L412-I445 HydrophobicContact CG-CD1 4.2Å; L412-I445 HydrophobicContact CG-CG2 4.04Å |
| 413 | K | 77.3 | Confident | 79.3 | Confident | 93 Ų | 93 | 38 Ų | 38 | 40% | 0.404 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27 | 171.4 | -73.8 | 174 | -166.7 | 161.2 | 0 | 113.7 | V409 D410 Q411 L419 | V409-K413 WeakPolarHBondContact O-CG 3.4Å; V409-K413 PolarHBondContact O-N 3.47Å; V409-K413 VanDerWaalsContact O-N 3.08Å; D410-K413 IonicContact OD1-NZ 3.98Å; D410-K413 PolarHBondContact OD1-NZ 2.8Å; Q411-K413 VanDerWaalsContact C-N 3.3Å; Q411-K413 PolarHBondContact O-N 3.41Å; K413-L419 HydrophobicContact CB-CB 4.4Å; K413-L419 HydrophobicContact CG-CB 3.78Å; K413-L419 HydrophobicContact CG-CD2 3.83Å; K413-L419 HydrophobicContact CG-CG 4.41Å |
| 414 | R | 71.3 | Confident | 79.7 | Confident | 57 Ų | 57 | 36.2 Ų | 36.2 | 22% | 0.215 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 6.6 | -173.5 | -60.9 | -178.6 | -178.4 | 83.3 | -9 | 113 | D410 Q411 L412 I942 T962 | D410-R414 VanDerWaalsContact CG-NH1 3.25Å; D410-R414 PolarHBondContact O-NH1 2.79Å; D410-R414 IonicContact OD2-CZ 2.79Å; D410-R414 IonicContact OD2-NH1 2.91Å; D410-R414 PolarHBondContact OD2-NH1 2.91Å; D410-R414 IonicContact OD2-NH2 3.79Å; D410-R414 PolarHBondContact OD2-NH2 3.08Å; Q411-R414 CarbonylContact O-C 3.54Å; Q411-R414 WeakPolarHBondContact O-CA 3.38Å; Q411-R414 PolarHBondContact O-N 2.84Å; L412-R414 PolarHBondContact O-N 3.33Å; R414-I942 HydrophobicContact CG-CG2 4.19Å; R414-T962 VanDerWaalsContact CD-CB 3.49Å |
| 415 | C | 72.5 | Confident | 80.1 | Confident | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -71.9 | 151.1 | 163.3 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | Q411 L412 A417 G418 I445 | Q411-C415 PolarHBondContact O-N 3.15Å; L412-C415 PolarHBondContact O-N 3.23Å; C415-A417 PolarHBondContact O-N 3.41Å; C415-G418 PolarHBondContact O-N 3.4Å; C415-I445 WeakPolarHBondContact SG-CD1 3.45Å |
| 416 | P | 67.2 | Low | 80.5 | Confident | 52 Ų | 52 | 40.9 Ų | 40.9 | 34% | 0.338 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -9.8 | 176.5 | -24.5 | 35.1 | 0 | 0 | 0 | 115.5 | ||
| 417 | A | 71.7 | Confident | 80.8 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 3% | 0.025 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -20 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C415 T439 E442 Q839 | C415-A417 PolarHBondContact O-N 3.41Å; A417-T439 HydrophobicContact CB-CG2 3.88Å; A417-E442 HydrophobicContact CB-CG 4.21Å; A417-Q839 WeakPolarHBondContact O-CB 3.48Å; A417-Q839 WeakPolarHBondContact O-CG 3.37Å |
| 418 | G | 74.7 | Confident | 81 | Confident | 23 Ų | 23 | 35 Ų | 35 | 24% | 0.237 | 20% | 0.198 | C | C | . | . | trans | 67.6 | 169.3 | -161.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L412 C415 | L412-G418 CarbonylContact O-C 3.57Å; C415-G418 PolarHBondContact O-N 3.4Å | ||
| 419 | L | 81.1 | Confident | 81.4 | Confident | 42 Ų | 42 | 37.5 Ų | 37.5 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | trans | -72.2 | 129.9 | 175.1 | 174.5 | 66.4 | 0 | 0 | 0 | 110.7 | V409 L412 K413 L423 A424 | V409-L419 HydrophobicContact CG1-CD2 3.91Å; L412-L419 HydrophobicContact CB-CD1 3.68Å; L412-L419 HydrophobicContact CD1-CD1 4.22Å; L412-L419 PolarHBondContact O-N 2.81Å; K413-L419 HydrophobicContact CB-CB 4.4Å; K413-L419 HydrophobicContact CG-CB 3.78Å; K413-L419 HydrophobicContact CG-CD2 3.83Å; K413-L419 HydrophobicContact CG-CG 4.41Å; L419-L423 HydrophobicContact CD1-CB 4.4Å; L419-A424 HydrophobicContact CD1-CB 4.45Å; L419-A424 HydrophobicContact CD2-CB 3.65Å; L419-A424 HydrophobicContact CG-CB 3.94Å | ||
| 420 | D | 86.4 | Confident | 81.6 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | trans | -67.1 | 140.2 | 175.4 | -164.9 | -96.1 | 0 | 0 | 0 | 113.6 | I422 L423 A424 R849 | D420-I422 PolarHBondContact O-N 2.9Å; D420-I422 WeakPolarHBondContact OD1-CA 3.42Å; D420-I422 WeakPolarHBondContact OD1-CB 3.19Å; D420-I422 PolarHBondContact OD1-N 3.16Å; D420-L423 HydrophobicContact CB-CB 3.89Å; D420-L423 HydrophobicContact CB-CD1 3.81Å; D420-L423 HydrophobicContact CB-CG 3.87Å; D420-L423 PolarHBondContact O-N 3.37Å; D420-L423 PolarHBondContact OD1-N 3.15Å; D420-A424 WeakPolarHBondContact O-CB 3.46Å; D420-A424 PolarHBondContact O-N 3.01Å; D420-R849 IonicContact OD2-CZ 3.09Å; D420-R849 IonicContact OD2-NH1 2.95Å; D420-R849 PolarHBondContact OD2-NH1 2.83Å; D420-R849 IonicContact OD2-NH2 3.24Å; D420-R849 PolarHBondContact OD2-NH2 3.35Å | ||
| 421 | T | 85.3 | Confident | 82.5 | Confident | 108 Ų | 108 | 34.2 Ų | 34.2 | 66% | 0.663 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.8 | -178 | 61.4 | 0 | 0 | 0 | 0 | 114 | R425 | T421-R425 PolarHBondContact O-NE 3.29Š|
| 422 | I | 89 | Confident | 83.3 | Confident | 29 Ų | 29 | 33 Ų | 33 | 15% | 0.149 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -46.5 | 173.2 | -47.8 | -175.5 | 0 | 0 | 0 | 109.3 | E342 D346 D420 A424 R425 C426 F433 | E342-I422 HydrophobicContact CB-CD1 3.87Å; E342-I422 HydrophobicContact CG-CD1 4.2Å; D346-I422 HydrophobicContact CB-CG2 3.96Å; D420-I422 PolarHBondContact O-N 2.9Å; D420-I422 WeakPolarHBondContact OD1-CA 3.42Å; D420-I422 WeakPolarHBondContact OD1-CB 3.19Å; D420-I422 PolarHBondContact OD1-N 3.16Å; I422-A424 VanDerWaalsContact C-N 3.26Å; I422-A424 PolarHBondContact O-N 3.33Å; I422-R425 PolarHBondContact O-N 2.92Å; I422-C426 PolarHBondContact O-N 2.83Å; I422-C426 PolarHBondContact O-SG 2.83Å; I422-F433 HydrophobicContact CB-CE1 3.69Å; I422-F433 HydrophobicContact CB-CZ 3.98Å; I422-F433 HydrophobicContact CG2-CD1 4.39Å; I422-F433 HydrophobicContact CG2-CE1 3.65Å; I422-F433 HydrophobicContact CG2-CZ 4.35Å |
| 423 | L | 89.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.3 | -39.2 | 174.3 | -67.1 | 172.5 | 0 | 0 | 0 | 112.1 | L412 L419 D420 R425 C426 L427 A432 F433 L438 I446 | L412-L423 HydrophobicContact CD1-CD1 4.44Å; L419-L423 HydrophobicContact CD1-CB 4.4Å; D420-L423 HydrophobicContact CB-CB 3.89Å; D420-L423 HydrophobicContact CB-CD1 3.81Å; D420-L423 HydrophobicContact CB-CG 3.87Å; D420-L423 PolarHBondContact O-N 3.37Å; D420-L423 PolarHBondContact OD1-N 3.15Å; L423-R425 PolarHBondContact O-N 3.47Å; L423-C426 PolarHBondContact O-N 3.14Å; L423-L427 HydrophobicContact CB-CD1 3.95Å; L423-L427 HydrophobicContact CB-CG 4.44Å; L423-L427 WeakPolarHBondContact O-CB 3.33Å; L423-L427 WeakPolarHBondContact O-CG 3.36Å; L423-L427 PolarHBondContact O-N 3.23Å; L423-A432 HydrophobicContact CD2-CB 4.26Å; L423-F433 HydrophobicContact CB-CE1 4.46Å; L423-F433 HydrophobicContact CD2-CD1 3.65Å; L423-F433 HydrophobicContact CD2-CD2 4.49Å; L423-F433 HydrophobicContact CD2-CE1 3.47Å; L423-F433 VanDerWaalsContact CD2-CE1 3.47Å; L423-F433 HydrophobicContact CD2-CE2 4.36Å; L423-F433 HydrophobicContact CD2-CG 4.17Å; L423-F433 HydrophobicContact CD2-CZ 3.87Å; L423-F433 HydrophobicContact CG-CD1 4.32Å; L423-F433 HydrophobicContact CG-CE1 3.63Å; L423-F433 HydrophobicContact CG-CE2 4.36Å; L423-F433 HydrophobicContact CG-CZ 3.66Å; L423-L438 HydrophobicContact CD1-CD1 4.28Å; L423-L438 HydrophobicContact CD1-CD2 4.18Å; L423-I446 HydrophobicContact CD1-CD1 3.81Å; L423-I446 HydrophobicContact CD2-CD1 3.94Å |
| 424 | A | 85.1 | Confident | 84.6 | Confident | 45 Ų | 45 | 28.7 Ų | 28.7 | 37% | 0.372 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -54.8 | -33 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L419 D420 I422 | L419-A424 HydrophobicContact CD1-CB 4.45Å; L419-A424 HydrophobicContact CD2-CB 3.65Å; L419-A424 HydrophobicContact CG-CB 3.94Å; D420-A424 WeakPolarHBondContact O-CB 3.46Å; D420-A424 PolarHBondContact O-N 3.01Å; I422-A424 VanDerWaalsContact C-N 3.26Å; I422-A424 PolarHBondContact O-N 3.33Å |
| 425 | R | 86.5 | Confident | 85.5 | Confident | 111 Ų | 111 | 26.1 Ų | 26.1 | 42% | 0.419 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -89.7 | -28.7 | -179.4 | -64.2 | -177.3 | -65.8 | 126.8 | 4.9 | 112.1 | D346 T421 I422 L423 Y429 | D346-R425 VanDerWaalsContact CG-NH2 3.29Å; D346-R425 IonicContact OD1-CZ 3.51Å; D346-R425 IonicContact OD1-NH1 3.26Å; D346-R425 PolarHBondContact OD1-NH1 3.17Å; D346-R425 IonicContact OD1-NH2 3.36Å; D346-R425 IonicContact OD2-CZ 2.96Å; D346-R425 VanDerWaalsContact OD2-CZ 3.27Å; D346-R425 IonicContact OD2-NH1 2.72Å; D346-R425 PolarHBondContact OD2-NH1 3.14Å; D346-R425 IonicContact OD2-NH2 2.72Å; D346-R425 PolarHBondContact OD2-NH2 3.04Å; T421-R425 PolarHBondContact O-NE 3.29Å; I422-R425 PolarHBondContact O-N 2.92Å; L423-R425 PolarHBondContact O-N 3.47Å; R425-Y429 WeakPolarHBondContact O-CD2 3.47Å |
| 426 | C | 91.9 | Very high | 86 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -86.3 | -42 | -177.8 | -58.8 | 0 | 0 | 0 | 0 | 113.9 | A349 I422 L423 G428 Y429 V431 | A349-C426 HydrophobicContact CB-CB 4.06Å; I422-C426 PolarHBondContact O-N 2.83Å; I422-C426 PolarHBondContact O-SG 2.83Å; L423-C426 PolarHBondContact O-N 3.14Å; C426-G428 VanDerWaalsContact C-N 3.31Å; C426-G428 PolarHBondContact O-N 2.83Å; C426-Y429 PolarHBondContact O-N 2.77Å; C426-V431 CarbonylContact C-O 3.08Å; C426-V431 HydrophobicContact CB-CB 4.25Å; C426-V431 WeakPolarHBondContact CB-O 3.39Å; C426-V431 PolarHBondContact O-N 3.46Å; C426-V431 VanDerWaalsContact O-O 3.14Å |
| 427 | L | 88.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -62.8 | -33.9 | -169.4 | -79.6 | 166.7 | 0 | 0 | 0 | 113.4 | L405 V409 L412 L423 Y429 G430 V431 A432 I455 | L405-L427 WeakPolarHBondContact CD1-O 3.41Å; L405-L427 WeakPolarHBondContact CD2-O 3.47Å; V409-L427 HydrophobicContact CG2-CB 3.65Å; V409-L427 HydrophobicContact CG2-CD1 3.84Å; V409-L427 HydrophobicContact CG2-CG 4.4Å; L412-L427 HydrophobicContact CD1-CD1 3.39Å; L423-L427 HydrophobicContact CB-CD1 3.95Å; L423-L427 HydrophobicContact CB-CG 4.44Å; L423-L427 WeakPolarHBondContact O-CB 3.33Å; L423-L427 WeakPolarHBondContact O-CG 3.36Å; L423-L427 PolarHBondContact O-N 3.23Å; L427-Y429 PolarHBondContact O-N 2.9Å; L427-G430 PolarHBondContact O-N 3.23Å; L427-V431 WeakPolarHBondContact CA-O 3.23Å; L427-V431 PolarHBondContact N-O 3.09Å; L427-A432 HydrophobicContact CD2-CB 3.94Å; L427-I455 HydrophobicContact CD2-CD1 3.71Å; L427-I455 HydrophobicContact CD2-CG1 3.99Å |
| 428 | G | 83 | Confident | 87.5 | Confident | 38 Ų | 38 | 24.9 Ų | 24.9 | 39% | 0.392 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -59.8 | -13.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C426 | C426-G428 VanDerWaalsContact C-N 3.31Å; C426-G428 PolarHBondContact O-N 2.83Å |
| 429 | Y | 88 | Confident | 87.9 | Confident | 58 Ų | 58 | 23.8 Ų | 23.8 | 23% | 0.227 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -115.4 | 14.6 | -179.7 | -56.1 | -68.8 | 0 | 0 | 0 | 112.9 | A349 I352 F353 R425 C426 L427 V431 | A349-Y429 HydrophobicContact CB-CD2 4.19Å; I352-Y429 HydrophobicContact CG2-CD1 4.15Å; I352-Y429 HydrophobicContact CG2-CG 4.3Å; F353-Y429 HydrophobicContact CB-CD1 4.25Å; F353-Y429 HydrophobicContact CB-CE1 3.8Å; F353-Y429 HydrophobicContact CB-CE2 4.18Å; F353-Y429 AromaticContact CD2-CE1 3.76Å; F353-Y429 HydrophobicContact CD2-CE1 3.76Å; F353-Y429 AromaticContact CD2-CZ 3.63Å; F353-Y429 WeakPolarHBondContact CD2-OH 3.45Å; F353-Y429 HydrophobicContact CG-CE1 4.24Å; R425-Y429 WeakPolarHBondContact O-CD2 3.47Å; C426-Y429 PolarHBondContact O-N 2.77Å; L427-Y429 PolarHBondContact O-N 2.9Å; Y429-V431 VanDerWaalsContact C-N 3.26Å; Y429-V431 PolarHBondContact O-N 2.98Å |
| 430 | G | 89.2 | Confident | 87.8 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 16.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L427 R456 I457 | L427-G430 PolarHBondContact O-N 3.23Å; G430-R456 PolarHBondContact O-N 2.84Å; G430-I457 PolarHBondContact O-N 3.43Å; G430-I457 VanDerWaalsContact O-N 3.14Å |
| 431 | V | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 135 | 178.9 | -172 | 0 | 0 | 0 | 0 | 109.9 | A345 M348 A349 I352 C426 L427 Y429 I457 I459 | A345-V431 HydrophobicContact CB-CG1 4.08Å; M348-V431 HydrophobicContact CB-CG1 4.31Å; A349-V431 HydrophobicContact CB-CB 4.34Å; A349-V431 HydrophobicContact CB-CG2 4.37Å; I352-V431 HydrophobicContact CD1-CG2 3.7Å; C426-V431 CarbonylContact C-O 3.08Å; C426-V431 HydrophobicContact CB-CB 4.25Å; C426-V431 WeakPolarHBondContact CB-O 3.39Å; C426-V431 PolarHBondContact O-N 3.46Å; C426-V431 VanDerWaalsContact O-O 3.14Å; L427-V431 WeakPolarHBondContact CA-O 3.23Å; L427-V431 PolarHBondContact N-O 3.09Å; Y429-V431 VanDerWaalsContact C-N 3.26Å; Y429-V431 PolarHBondContact O-N 2.98Å; V431-I457 WeakPolarHBondContact CA-O 3.31Å; V431-I457 HydrophobicContact CG1-CB 4.29Å; V431-I457 HydrophobicContact CG1-CG2 4.2Å; V431-I457 HydrophobicContact CG2-CB 4.24Å; V431-I457 HydrophobicContact CG2-CD1 4.23Å; V431-I459 HydrophobicContact CG1-CD1 4.25Å |
| 432 | A | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 165.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L423 L427 I446 I455 I457 L458 I459 | L423-A432 HydrophobicContact CD2-CB 4.26Å; L427-A432 HydrophobicContact CD2-CB 3.94Å; A432-I446 HydrophobicContact CB-CG2 3.99Å; A432-I455 HydrophobicContact CB-CD1 3.95Å; A432-I455 HydrophobicContact CB-CG2 3.83Å; A432-I457 PolarHBondContact N-O 2.9Å; A432-L458 HydrophobicContact CB-CD1 4Å; A432-I459 PolarHBondContact O-N 2.82Å |
| 433 | F | 94.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 152.4 | 169.2 | 59 | -88.5 | 0 | 0 | 0 | 111.2 | C341 E342 A345 I422 L423 H435 L438 I459 | C341-F433 HydrophobicContact CB-CB 3.95Å; E342-F433 HydrophobicContact CG-CD2 3.97Å; E342-F433 HydrophobicContact CG-CE1 4.47Å; E342-F433 HydrophobicContact CG-CE2 3.69Å; E342-F433 HydrophobicContact CG-CG 4.47Å; E342-F433 HydrophobicContact CG-CZ 3.96Å; A345-F433 HydrophobicContact CB-CB 4.13Å; A345-F433 HydrophobicContact CB-CD1 3.84Å; A345-F433 HydrophobicContact CB-CG 4.45Å; I422-F433 HydrophobicContact CB-CE1 3.69Å; I422-F433 HydrophobicContact CB-CZ 3.98Å; I422-F433 HydrophobicContact CG2-CD1 4.39Å; I422-F433 HydrophobicContact CG2-CE1 3.65Å; I422-F433 HydrophobicContact CG2-CZ 4.35Å; L423-F433 HydrophobicContact CB-CE1 4.46Å; L423-F433 HydrophobicContact CD2-CD1 3.65Å; L423-F433 HydrophobicContact CD2-CD2 4.49Å; L423-F433 HydrophobicContact CD2-CE1 3.47Å; L423-F433 VanDerWaalsContact CD2-CE1 3.47Å; L423-F433 HydrophobicContact CD2-CE2 4.36Å; L423-F433 HydrophobicContact CD2-CG 4.17Å; L423-F433 HydrophobicContact CD2-CZ 3.87Å; L423-F433 HydrophobicContact CG-CD1 4.32Å; L423-F433 HydrophobicContact CG-CE1 3.63Å; L423-F433 HydrophobicContact CG-CE2 4.36Å; L423-F433 HydrophobicContact CG-CZ 3.66Å; F433-H435 AromaticContact CD2-CE1 3.66Å; F433-H435 AromaticContact CD2-NE2 3.42Å; F433-H435 WeakPolarHBondContact CD2-NE2 3.29Å; F433-H435 AromaticContact CE2-CE1 3.6Å; F433-H435 AromaticContact CE2-NE2 3.6Å; F433-L438 HydrophobicContact CD2-CD1 4.4Å; F433-L438 HydrophobicContact CE2-CD1 4.39Å; F433-L438 HydrophobicContact CE2-CD2 4.06Å; F433-L438 HydrophobicContact CE2-CG 4.46Å; F433-L438 WeakPolarHBondContact O-CD1 3.35Å; F433-I459 CarbonylContact C-O 3.53Å; F433-I459 WeakPolarHBondContact CA-O 3.46Å; F433-I459 WeakPolarHBondContact CB-O 3.18Å |
| 434 | H | 92.7 | Very high | 86.9 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 128.1 | -178.4 | -179.4 | -64 | 0 | 0 | 0 | 111.7 | R443 E447 L458 I459 A460 T461 L464 | H434-R443 VanDerWaalsContact CE1-CD 3.5Å; H434-R443 WeakPolarHBondContact CE1-CD 3.47Å; H434-E447 IonicContact CD2-OE1 3.49Å; H434-E447 IonicContact CE1-OE1 3.28Å; H434-E447 IonicContact NE2-OE1 2.73Å; H434-E447 PolarHBondContact NE2-OE1 3Å; H434-L458 HydrophobicContact CB-CD1 3.95Å; H434-L458 HydrophobicContact CB-CG 4.39Å; H434-I459 PolarHBondContact N-O 2.84Å; H434-A460 HydrophobicContact CB-CB 4.19Å; H434-A460 CarbonylContact O-C 3.55Å; H434-A460 WeakPolarHBondContact O-CA 3.4Å; H434-A460 WeakPolarHBondContact O-CB 3.37Å; H434-T461 PolarHBondContact O-N 2.91Å; H434-T461 VanDerWaalsContact O-N 3.12Å; H434-L464 HydrophobicContact CB-CD2 4.21Å |
| 435 | H | 90.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -164.7 | 164.8 | 176.7 | 46.5 | 32.2 | 0 | 0 | 0 | 109.9 | K338 E342 F433 G437 L438 T461 | K338-H435 HydrophobicContact CG-CB 4.24Å; E342-H435 IonicContact OE1-NE2 2.82Å; E342-H435 PolarHBondContact OE1-NE2 3.24Å; F433-H435 AromaticContact CD2-CE1 3.66Å; F433-H435 AromaticContact CD2-NE2 3.42Å; F433-H435 WeakPolarHBondContact CD2-NE2 3.29Å; F433-H435 AromaticContact CE2-CE1 3.6Å; F433-H435 AromaticContact CE2-NE2 3.6Å; H435-G437 WeakPolarHBondContact ND1-CA 3.29Å; H435-G437 PolarHBondContact ND1-N 3.41Å; H435-G437 VanDerWaalsContact ND1-N 3.13Å; H435-G437 PolarHBondContact O-N 2.67Å; H435-L438 PolarHBondContact ND1-N 2.84Å; H435-L438 PolarHBondContact O-N 2.73Å; H435-T461 WeakPolarHBondContact CA-OG1 3.4Å; H435-T461 HydrophobicContact CB-CG2 3.93Å; H435-T461 WeakPolarHBondContact CB-OG1 2.97Å |
| 436 | A | 81.6 | Confident | 87 | Confident | 37 Ų | 37 | 16.8 Ų | 16.8 | 31% | 0.306 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 17.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K338 T463 | K338-A436 PolarHBondContact NZ-O 2.9Å; A436-T463 HydrophobicContact CB-CG2 3.91Å; A436-T463 PolarHBondContact N-OG1 2.74Å |
| 437 | G | 83.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -17.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H435 N848 G850 | H435-G437 WeakPolarHBondContact ND1-CA 3.29Å; H435-G437 PolarHBondContact ND1-N 3.41Å; H435-G437 VanDerWaalsContact ND1-N 3.13Å; H435-G437 PolarHBondContact O-N 2.67Å; G437-N848 VanDerWaalsContact CA-ND2 3.3Å; G437-N848 WeakPolarHBondContact CA-ND2 3.25Å; G437-N848 WeakPolarHBondContact CA-OD1 3.28Å; G437-N848 VanDerWaalsContact O-CG 3.3Å; G437-N848 PolarHBondContact O-ND2 3.43Å; G437-N848 PolarHBondContact O-OD1 3.28Å; G437-N848 VanDerWaalsContact O-OD1 3.05Å; G437-G850 PolarHBondContact O-N 3.46Å |
| 438 | L | 87.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -105 | 154.6 | -179.9 | -61.2 | 175.8 | 0 | 0 | 0 | 109.9 | L423 F433 H435 E442 R443 I446 G850 | L423-L438 HydrophobicContact CD1-CD1 4.28Å; L423-L438 HydrophobicContact CD1-CD2 4.18Å; F433-L438 HydrophobicContact CD2-CD1 4.4Å; F433-L438 HydrophobicContact CE2-CD1 4.39Å; F433-L438 HydrophobicContact CE2-CD2 4.06Å; F433-L438 HydrophobicContact CE2-CG 4.46Å; F433-L438 WeakPolarHBondContact O-CD1 3.35Å; H435-L438 PolarHBondContact ND1-N 2.84Å; H435-L438 PolarHBondContact O-N 2.73Å; L438-E442 VanDerWaalsContact CA-OE2 3.29Å; L438-E442 WeakPolarHBondContact CA-OE2 3.39Å; L438-E442 HydrophobicContact CB-CB 3.93Å; L438-E442 WeakPolarHBondContact CB-OE2 3.41Å; L438-E442 WeakPolarHBondContact CD2-OE1 3.46Å; L438-R443 HydrophobicContact CB-CG 3.85Å; L438-R443 HydrophobicContact CD1-CG 4.46Å; L438-R443 PolarHBondContact O-NE 2.88Å; L438-I446 HydrophobicContact CD1-CD1 3.63Å; L438-G850 WeakPolarHBondContact O-CA 3.49Å |
| 439 | T | 83.5 | Confident | 86.6 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | trans | -65.7 | 170.9 | 174.6 | 79.6 | 0 | 0 | 0 | 0 | 111.4 | A417 E441 E442 R443 L838 R849 Q853 | A417-T439 HydrophobicContact CB-CG2 3.88Å; T439-E441 VanDerWaalsContact C-N 3.32Å; T439-E441 WeakPolarHBondContact CB-OE2 3.33Å; T439-E441 PolarHBondContact OG1-N 3.31Å; T439-E441 PolarHBondContact OG1-OE2 3.23Å; T439-E442 PolarHBondContact N-OE2 3.03Å; T439-E442 PolarHBondContact OG1-N 3.09Å; T439-R443 WeakPolarHBondContact O-CB 3.29Å; T439-R443 WeakPolarHBondContact O-CG 3.36Å; T439-R443 PolarHBondContact O-N 2.93Å; T439-R443 PolarHBondContact O-NE 3.19Å; T439-R443 VanDerWaalsContact O-NE 3.07Å; T439-L838 HydrophobicContact CG2-CD2 4.48Å; T439-R849 HydrophobicContact CG2-CB 4.45Å; T439-R849 HydrophobicContact CG2-CG 4.22Å; T439-Q853 VanDerWaalsContact CA-OE1 3.24Å; T439-Q853 VanDerWaalsContact CB-OE1 3.27Å | ||
| 440 | V | 79.4 | Confident | 86.7 | Confident | 39 Ų | 39 | 17.7 Ų | 17.7 | 24% | 0.236 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | R443 E444 | V440-R443 WeakPolarHBondContact O-CB 3.49Å; V440-R443 PolarHBondContact O-N 3Å; V440-R443 VanDerWaalsContact O-N 3.16Å; V440-E444 HydrophobicContact CG1-CG 4.26Å; V440-E444 VanDerWaalsContact CG1-OE1 3.24Å; V440-E444 WeakPolarHBondContact CG1-OE1 3.36Å; V440-E444 WeakPolarHBondContact O-CG 3.49Å; V440-E444 PolarHBondContact O-N 3.43Å |
| 441 | E | 79.2 | Confident | 86.4 | Confident | 63 Ų | 63 | 23.9 Ų | 23.9 | 29% | 0.294 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -66.6 | -43.4 | -175.6 | -52 | 75.5 | -168.1 | 0 | 0 | 111.7 | T439 R443 E444 I445 Q853 | T439-E441 VanDerWaalsContact C-N 3.32Å; T439-E441 WeakPolarHBondContact CB-OE2 3.33Å; T439-E441 PolarHBondContact OG1-N 3.31Å; T439-E441 PolarHBondContact OG1-OE2 3.23Å; E441-R443 VanDerWaalsContact C-N 3.27Å; E441-R443 PolarHBondContact O-N 3.36Å; E441-E444 PolarHBondContact O-N 3.25Å; E441-I445 WeakPolarHBondContact O-CD1 3.28Å; E441-I445 WeakPolarHBondContact O-CG1 3.38Å; E441-I445 PolarHBondContact O-N 3.4Å; E441-Q853 PolarHBondContact OE1-NE2 3.37Å; E441-Q853 PolarHBondContact OE2-NE2 3.01Å |
| 442 | E | 86.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.9 | -40.5 | 173.2 | -72.4 | -177.3 | 105.8 | 0 | 0 | 111.8 | L412 A417 L438 T439 I446 R849 | L412-E442 HydrophobicContact CD2-CB 4.03Å; L412-E442 HydrophobicContact CD2-CG 4Å; A417-E442 HydrophobicContact CB-CG 4.21Å; L438-E442 VanDerWaalsContact CA-OE2 3.29Å; L438-E442 WeakPolarHBondContact CA-OE2 3.39Å; L438-E442 HydrophobicContact CB-CB 3.93Å; L438-E442 WeakPolarHBondContact CB-OE2 3.41Å; L438-E442 WeakPolarHBondContact CD2-OE1 3.46Å; T439-E442 PolarHBondContact N-OE2 3.03Å; T439-E442 PolarHBondContact OG1-N 3.09Å; E442-I446 WeakPolarHBondContact O-CD1 3.34Å; E442-I446 VanDerWaalsContact O-CG1 3.28Å; E442-I446 WeakPolarHBondContact O-CG1 3.41Å; E442-I446 PolarHBondContact O-N 3.28Å; E442-R849 VanDerWaalsContact CD-NE 3.28Å; E442-R849 IonicContact OE1-CZ 3.73Å; E442-R849 IonicContact OE1-NE 2.98Å; E442-R849 PolarHBondContact OE1-NE 3.11Å; E442-R849 IonicContact OE1-NH2 3.05Å; E442-R849 PolarHBondContact OE1-NH2 2.88Å; E442-R849 IonicContact OE2-CZ 2.71Å; E442-R849 IonicContact OE2-NE 3.28Å; E442-R849 PolarHBondContact OE2-NE 3.38Å; E442-R849 IonicContact OE2-NH2 3.66Å |
| 443 | R | 85.4 | Confident | 85.4 | Confident | 41 Ų | 41 | 31.9 Ų | 31.9 | 16% | 0.155 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.6 | -43.6 | 179.9 | -75.3 | -177.7 | -73.6 | 118.7 | -4.2 | 112 | H434 L438 T439 V440 E441 I445 I446 E447 | H434-R443 VanDerWaalsContact CE1-CD 3.5Å; H434-R443 WeakPolarHBondContact CE1-CD 3.47Å; L438-R443 HydrophobicContact CB-CG 3.85Å; L438-R443 HydrophobicContact CD1-CG 4.46Å; L438-R443 PolarHBondContact O-NE 2.88Å; T439-R443 WeakPolarHBondContact O-CB 3.29Å; T439-R443 WeakPolarHBondContact O-CG 3.36Å; T439-R443 PolarHBondContact O-N 2.93Å; T439-R443 PolarHBondContact O-NE 3.19Å; T439-R443 VanDerWaalsContact O-NE 3.07Å; V440-R443 WeakPolarHBondContact O-CB 3.49Å; V440-R443 PolarHBondContact O-N 3Å; V440-R443 VanDerWaalsContact O-N 3.16Å; E441-R443 VanDerWaalsContact C-N 3.27Å; E441-R443 PolarHBondContact O-N 3.36Å; R443-I445 VanDerWaalsContact C-N 3.3Å; R443-I445 PolarHBondContact O-N 3.17Å; R443-I446 PolarHBondContact O-N 2.98Å; R443-I446 VanDerWaalsContact O-N 3.15Å; R443-E447 VanDerWaalsContact O-CB 3.29Å; R443-E447 WeakPolarHBondContact O-CB 3.46Å; R443-E447 WeakPolarHBondContact O-CG 3.34Å; R443-E447 PolarHBondContact O-N 3.18Å |
| 444 | E | 80.1 | Confident | 85 | Confident | 54 Ų | 54 | 33.1 Ų | 33.1 | 25% | 0.252 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.7 | -41.2 | 177 | -75.1 | 169.9 | 172.4 | 0 | 0 | 111.6 | V440 E441 F448 | V440-E444 HydrophobicContact CG1-CG 4.26Å; V440-E444 VanDerWaalsContact CG1-OE1 3.24Å; V440-E444 WeakPolarHBondContact CG1-OE1 3.36Å; V440-E444 WeakPolarHBondContact O-CG 3.49Å; V440-E444 PolarHBondContact O-N 3.43Å; E441-E444 PolarHBondContact O-N 3.25Å; E444-F448 VanDerWaalsContact O-CB 3.25Å; E444-F448 WeakPolarHBondContact O-CB 3.47Å; E444-F448 PolarHBondContact O-N 3.37Å |
| 445 | I | 83.9 | Confident | 85 | Confident | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.062 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 175.5 | -65.2 | 160.1 | 0 | 0 | 0 | 111.8 | C408 Q411 L412 C415 E441 R443 F448 G449 | C408-I445 HydrophobicContact CB-CG2 4.21Å; Q411-I445 HydrophobicContact CB-CD1 3.87Å; Q411-I445 HydrophobicContact CB-CG1 4.4Å; Q411-I445 HydrophobicContact CB-CG2 4.38Å; L412-I445 HydrophobicContact CD1-CG2 4.42Å; L412-I445 HydrophobicContact CD2-CB 4.26Å; L412-I445 HydrophobicContact CD2-CD1 3.93Å; L412-I445 HydrophobicContact CD2-CG2 4.35Å; L412-I445 HydrophobicContact CG-CB 4.48Å; L412-I445 HydrophobicContact CG-CD1 4.2Å; L412-I445 HydrophobicContact CG-CG2 4.04Å; C415-I445 WeakPolarHBondContact SG-CD1 3.45Å; E441-I445 WeakPolarHBondContact O-CD1 3.28Å; E441-I445 WeakPolarHBondContact O-CG1 3.38Å; E441-I445 PolarHBondContact O-N 3.4Å; R443-I445 VanDerWaalsContact C-N 3.3Å; R443-I445 PolarHBondContact O-N 3.17Å; I445-F448 PolarHBondContact O-N 3.45Å; I445-G449 PolarHBondContact O-N 3.24Å |
| 446 | I | 89.7 | Confident | 85 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69 | -40.9 | 179.6 | -68.9 | 166.8 | 0 | 0 | 0 | 111.2 | L423 A432 L438 E442 R443 G449 F450 I455 L458 | L423-I446 HydrophobicContact CD1-CD1 3.81Å; L423-I446 HydrophobicContact CD2-CD1 3.94Å; A432-I446 HydrophobicContact CB-CG2 3.99Å; L438-I446 HydrophobicContact CD1-CD1 3.63Å; E442-I446 WeakPolarHBondContact O-CD1 3.34Å; E442-I446 VanDerWaalsContact O-CG1 3.28Å; E442-I446 WeakPolarHBondContact O-CG1 3.41Å; E442-I446 PolarHBondContact O-N 3.28Å; R443-I446 PolarHBondContact O-N 2.98Å; R443-I446 VanDerWaalsContact O-N 3.15Å; I446-G449 PolarHBondContact O-N 2.8Å; I446-F450 WeakPolarHBondContact O-CB 3.38Å; I446-F450 PolarHBondContact O-N 2.98Å; I446-I455 HydrophobicContact CB-CD1 4.42Å; I446-I455 HydrophobicContact CG2-CD1 4.11Å; I446-L458 HydrophobicContact CG2-CD1 3.49Å; I446-L458 VanDerWaalsContact CG2-CD1 3.49Å |
| 447 | E | 86.2 | Confident | 85.6 | Confident | 18 Ų | 18 | 33.4 Ų | 33.4 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -46 | 174.5 | -72.6 | 167.4 | -153.1 | 0 | 0 | 110.7 | H434 R443 F450 R451 V468 L470 | H434-E447 IonicContact CD2-OE1 3.49Å; H434-E447 IonicContact CE1-OE1 3.28Å; H434-E447 IonicContact NE2-OE1 2.73Å; H434-E447 PolarHBondContact NE2-OE1 3Å; R443-E447 VanDerWaalsContact O-CB 3.29Å; R443-E447 WeakPolarHBondContact O-CB 3.46Å; R443-E447 WeakPolarHBondContact O-CG 3.34Å; R443-E447 PolarHBondContact O-N 3.18Å; E447-F450 PolarHBondContact O-N 3.33Å; E447-R451 WeakPolarHBondContact O-CB 3.44Å; E447-R451 PolarHBondContact O-N 2.95Å; E447-V468 HydrophobicContact CG-CG1 4.15Å; E447-V468 WeakPolarHBondContact OE2-CG1 3.26Å; E447-L470 HydrophobicContact CB-CD1 3.99Å; E447-L470 HydrophobicContact CG-CD1 4.34Å; E447-L470 HydrophobicContact CG-CD2 4.24Å |
| 448 | F | 82.8 | Confident | 86.2 | Confident | 83 Ų | 83 | 33.3 Ų | 33.3 | 36% | 0.364 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 174.2 | -178.7 | -92.7 | 0 | 0 | 0 | 111.9 | E444 I445 F450 R451 K452 | E444-F448 VanDerWaalsContact O-CB 3.25Å; E444-F448 WeakPolarHBondContact O-CB 3.47Å; E444-F448 PolarHBondContact O-N 3.37Å; I445-F448 PolarHBondContact O-N 3.45Å; F448-F450 VanDerWaalsContact C-N 3.33Å; F448-F450 PolarHBondContact O-N 3.39Å; F448-R451 PolarHBondContact O-N 2.71Å; F448-K452 HydrophobicContact CD1-CG 4.13Å; F448-K452 HydrophobicContact CE1-CG 3.82Å; F448-K452 HydrophobicContact CE2-CG 4.32Å; F448-K452 HydrophobicContact CZ-CD 4.36Å; F448-K452 HydrophobicContact CZ-CG 3.93Å; F448-K452 WeakPolarHBondContact O-CB 3.15Å; F448-K452 WeakPolarHBondContact O-CG 3.35Å; F448-K452 PolarHBondContact O-N 3.11Å |
| 449 | G | 86.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.1 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I445 I446 G453 L454 I455 | I445-G449 PolarHBondContact O-N 3.24Å; I446-G449 PolarHBondContact O-N 2.8Å; G449-G453 PolarHBondContact O-N 2.82Å; G449-L454 WeakPolarHBondContact O-CB 3.47Å; G449-L454 PolarHBondContact O-N 3.24Å; G449-I455 PolarHBondContact O-N 2.76Å; G449-I455 VanDerWaalsContact O-N 3.12Å |
| 450 | F | 89.6 | Confident | 87.1 | Confident | 15 Ų | 15 | 33.2 Ų | 33.2 | 7% | 0.066 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.8 | -42.5 | 173.5 | -172 | -95.1 | 0 | 0 | 0 | 112.3 | I446 E447 F448 K452 G453 I455 L458 L470 A472 | I446-F450 WeakPolarHBondContact O-CB 3.38Å; I446-F450 PolarHBondContact O-N 2.98Å; E447-F450 PolarHBondContact O-N 3.33Å; F448-F450 VanDerWaalsContact C-N 3.33Å; F448-F450 PolarHBondContact O-N 3.39Å; F450-K452 PolarHBondContact O-N 3.11Å; F450-G453 PolarHBondContact O-N 3.27Å; F450-I455 HydrophobicContact CB-CB 4.27Å; F450-I455 HydrophobicContact CD2-CB 4.4Å; F450-I455 HydrophobicContact CD2-CG2 4.17Å; F450-I455 VanDerWaalsContact CD2-O 3.29Å; F450-I455 WeakPolarHBondContact CD2-O 3.46Å; F450-L458 HydrophobicContact CB-CD2 4.18Å; F450-L458 HydrophobicContact CD1-CD2 4.34Å; F450-L458 HydrophobicContact CD2-CB 3.57Å; F450-L458 HydrophobicContact CD2-CD2 4.18Å; F450-L458 HydrophobicContact CD2-CG 4.47Å; F450-L458 HydrophobicContact CE2-CB 3.64Å; F450-L458 HydrophobicContact CG-CB 4.24Å; F450-L458 HydrophobicContact CG-CD2 3.98Å; F450-L458 HydrophobicContact CZ-CB 4.37Å; F450-L470 HydrophobicContact CB-CD2 4.36Å; F450-L470 HydrophobicContact CD1-CD2 3.73Å; F450-L470 HydrophobicContact CD1-CG 3.9Å; F450-L470 HydrophobicContact CE1-CD2 4.42Å; F450-L470 HydrophobicContact CE1-CG 4.48Å; F450-L470 HydrophobicContact CG-CD2 4.31Å; F450-A472 HydrophobicContact CE1-CB 4.12Å; F450-A472 HydrophobicContact CZ-CB 3.83Å |
| 451 | R | 84.1 | Confident | 87.6 | Confident | 130 Ų | 130 | 31.9 Ų | 31.9 | 49% | 0.491 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -61.4 | -29.9 | 176.6 | -167.5 | -175.9 | -65.7 | -167.6 | -2.4 | 112.1 | E94 E447 F448 N469 L470 | E94-R451 IonicContact OE1-CZ 2.81Å; E94-R451 VanDerWaalsContact OE1-CZ 3.3Å; E94-R451 IonicContact OE1-NH1 3.15Å; E94-R451 PolarHBondContact OE1-NH1 3.47Å; E94-R451 IonicContact OE1-NH2 2.85Å; E94-R451 PolarHBondContact OE1-NH2 3.39Å; E447-R451 WeakPolarHBondContact O-CB 3.44Å; E447-R451 PolarHBondContact O-N 2.95Å; F448-R451 PolarHBondContact O-N 2.71Å; R451-N469 PolarHBondContact NH2-O 3.01Å; R451-L470 HydrophobicContact CB-CD1 4.29Å |
| 452 | K | 82.2 | Confident | 87.8 | Confident | 140 Ų | 140 | 30.4 Ų | 30.4 | 61% | 0.609 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.8 | 172 | -71.4 | -69.2 | -173 | 176 | 0 | 114.6 | F448 F450 L454 | F448-K452 HydrophobicContact CD1-CG 4.13Å; F448-K452 HydrophobicContact CE1-CG 3.82Å; F448-K452 HydrophobicContact CE2-CG 4.32Å; F448-K452 HydrophobicContact CZ-CD 4.36Å; F448-K452 HydrophobicContact CZ-CG 3.93Å; F448-K452 WeakPolarHBondContact O-CB 3.15Å; F448-K452 WeakPolarHBondContact O-CG 3.35Å; F448-K452 PolarHBondContact O-N 3.11Å; F450-K452 PolarHBondContact O-N 3.11Å; K452-L454 VanDerWaalsContact C-N 3.32Å; K452-L454 HydrophobicContact CB-CD1 4.39Å; K452-L454 HydrophobicContact CB-CG 4.06Å |
| 453 | G | 84.8 | Confident | 87.3 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 28% | 0.278 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 11.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | G449 F450 R456 | G449-G453 PolarHBondContact O-N 2.82Å; F450-G453 PolarHBondContact O-N 3.27Å; G453-R456 VanDerWaalsContact O-CD 3.26Å; G453-R456 WeakPolarHBondContact O-CD 3.39Å; G453-R456 PolarHBondContact O-NE 2.98Å |
| 454 | L | 86.9 | Confident | 86.9 | Confident | 28 Ų | 28 | 31.3 Ų | 31.3 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -69.2 | -47.7 | 172.6 | -53.4 | 177.9 | 0 | 0 | 0 | 109.9 | D401 L405 G449 K452 | D401-L454 HydrophobicContact CB-CD2 3.97Å; D401-L454 VanDerWaalsContact OD2-CD2 3.23Å; D401-L454 WeakPolarHBondContact OD2-CD2 3.45Å; L405-L454 HydrophobicContact CD2-CB 4.14Å; L405-L454 WeakPolarHBondContact CD2-O 3.35Å; L405-L454 HydrophobicContact CG-CB 4.46Å; G449-L454 WeakPolarHBondContact O-CB 3.47Å; G449-L454 PolarHBondContact O-N 3.24Å; K452-L454 VanDerWaalsContact C-N 3.32Å; K452-L454 HydrophobicContact CB-CD1 4.39Å; K452-L454 HydrophobicContact CB-CG 4.06Å |
| 455 | I | 91.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | trans | -88.3 | 125.6 | 170.2 | -57.8 | 169.8 | 0 | 0 | 0 | 107.1 | L405 L427 A432 I446 G449 F450 I457 | L405-I455 HydrophobicContact CD2-CG1 4.11Å; L427-I455 HydrophobicContact CD2-CD1 3.71Å; L427-I455 HydrophobicContact CD2-CG1 3.99Å; A432-I455 HydrophobicContact CB-CD1 3.95Å; A432-I455 HydrophobicContact CB-CG2 3.83Å; I446-I455 HydrophobicContact CB-CD1 4.42Å; I446-I455 HydrophobicContact CG2-CD1 4.11Å; G449-I455 PolarHBondContact O-N 2.76Å; G449-I455 VanDerWaalsContact O-N 3.12Å; F450-I455 HydrophobicContact CB-CB 4.27Å; F450-I455 HydrophobicContact CD2-CB 4.4Å; F450-I455 HydrophobicContact CD2-CG2 4.17Å; F450-I455 VanDerWaalsContact CD2-O 3.29Å; F450-I455 WeakPolarHBondContact CD2-O 3.46Å; I455-I457 WeakPolarHBondContact CG2-O 3.43Å | ||
| 456 | R | 90.8 | Very high | 85.5 | Confident | 43 Ų | 43 | 29.7 Ų | 29.7 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | trans | -103.7 | -32.7 | -176.6 | -59.8 | -63.3 | -163.3 | 136.9 | 12.9 | 112.6 | L325 G328 G330 V331 Q399 L400 G430 G453 | L325-R456 HydrophobicContact CD1-CB 3.37Å; L325-R456 HydrophobicContact CD1-CG 3.73Å; G328-R456 PolarHBondContact O-NH1 3.36Å; G330-R456 WeakPolarHBondContact CA-O 3.36Å; V331-R456 PolarHBondContact N-O 3.33Å; Q399-R456 PolarHBondContact O-NE 2.68Å; Q399-R456 PolarHBondContact O-NH2 2.79Å; L400-R456 HydrophobicContact CD2-CG 4.32Å; G430-R456 PolarHBondContact O-N 2.84Å; G453-R456 VanDerWaalsContact O-CD 3.26Å; G453-R456 WeakPolarHBondContact O-CD 3.39Å; G453-R456 PolarHBondContact O-NE 2.98Å | ||
| 457 | I | 93.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116.8 | 178 | -55.7 | -176.4 | 0 | 0 | 0 | 108.2 | C321 L325 V331 M348 I352 G430 V431 A432 I455 I459 | C321-I457 HydrophobicContact CB-CD1 4.2Å; L325-I457 HydrophobicContact CD2-CD1 4.44Å; V331-I457 HydrophobicContact CG1-CB 4.11Å; V331-I457 HydrophobicContact CG1-CG1 3.78Å; V331-I457 HydrophobicContact CG1-CG2 4.05Å; M348-I457 HydrophobicContact SD-CD1 4.33Å; M348-I457 HydrophobicContact SD-CG2 3.68Å; I352-I457 HydrophobicContact CD1-CD1 3.8Å; G430-I457 PolarHBondContact O-N 3.43Å; G430-I457 VanDerWaalsContact O-N 3.14Å; V431-I457 WeakPolarHBondContact CA-O 3.31Å; V431-I457 HydrophobicContact CG1-CB 4.29Å; V431-I457 HydrophobicContact CG1-CG2 4.2Å; V431-I457 HydrophobicContact CG2-CB 4.24Å; V431-I457 HydrophobicContact CG2-CD1 4.23Å; A432-I457 PolarHBondContact N-O 2.9Å; I455-I457 WeakPolarHBondContact CG2-O 3.43Å; I457-I459 HydrophobicContact CG2-CD1 4.32Å; I457-I459 HydrophobicContact CG2-CG1 4.2Å |
| 458 | L | 95.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.5 | 175.2 | -173.5 | 61.6 | 0 | 0 | 0 | 110.5 | V331 L332 V333 A432 H434 I446 F450 L464 L470 | V331-L458 PolarHBondContact O-N 3.1Å; V331-L458 VanDerWaalsContact O-N 3.09Å; L332-L458 CarbonylContact C-O 3.56Å; L332-L458 WeakPolarHBondContact CA-O 3.38Å; L332-L458 HydrophobicContact CD1-CB 4.04Å; L332-L458 HydrophobicContact CD1-CD2 4Å; L332-L458 HydrophobicContact CD1-CG 4.04Å; V333-L458 PolarHBondContact N-O 2.84Å; A432-L458 HydrophobicContact CB-CD1 4Å; H434-L458 HydrophobicContact CB-CD1 3.95Å; H434-L458 HydrophobicContact CB-CG 4.39Å; I446-L458 HydrophobicContact CG2-CD1 3.49Å; I446-L458 VanDerWaalsContact CG2-CD1 3.49Å; F450-L458 HydrophobicContact CB-CD2 4.18Å; F450-L458 HydrophobicContact CD1-CD2 4.34Å; F450-L458 HydrophobicContact CD2-CB 3.57Å; F450-L458 HydrophobicContact CD2-CD2 4.18Å; F450-L458 HydrophobicContact CD2-CG 4.47Å; F450-L458 HydrophobicContact CE2-CB 3.64Å; F450-L458 HydrophobicContact CG-CB 4.24Å; F450-L458 HydrophobicContact CG-CD2 3.98Å; F450-L458 HydrophobicContact CZ-CB 4.37Å; L458-L464 HydrophobicContact CD2-CD2 3.88Å; L458-L470 HydrophobicContact CD2-CD2 3.56Å |
| 459 | I | 95.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 118.5 | -177.7 | -58.8 | 152.1 | 0 | 0 | 0 | 109.3 | V333 C335 C341 L344 A345 M348 V431 A432 F433 H434 I457 | V333-I459 HydrophobicContact CB-CB 4.42Å; V333-I459 HydrophobicContact CB-CG1 4.01Å; V333-I459 HydrophobicContact CB-CG2 4.34Å; V333-I459 HydrophobicContact CG2-CG1 4.3Å; V333-I459 CarbonylContact O-C 3.56Å; V333-I459 WeakPolarHBondContact O-CA 3.2Å; C335-I459 HydrophobicContact CB-CG2 4.49Å; C341-I459 HydrophobicContact CB-CG2 3.95Å; L344-I459 HydrophobicContact CB-CD1 4.14Å; L344-I459 HydrophobicContact CB-CG2 4.34Å; L344-I459 HydrophobicContact CD2-CD1 4.22Å; L344-I459 HydrophobicContact CD2-CG1 4.31Å; L344-I459 HydrophobicContact CD2-CG2 3.97Å; L344-I459 HydrophobicContact CG-CD1 3.92Å; A345-I459 VanDerWaalsContact CA-CD1 3.44Å; A345-I459 HydrophobicContact CB-CD1 3.79Å; M348-I459 HydrophobicContact SD-CD1 3.86Å; M348-I459 HydrophobicContact SD-CG1 4.5Å; V431-I459 HydrophobicContact CG1-CD1 4.25Å; A432-I459 PolarHBondContact O-N 2.82Å; F433-I459 CarbonylContact C-O 3.53Å; F433-I459 WeakPolarHBondContact CA-O 3.46Å; F433-I459 WeakPolarHBondContact CB-O 3.18Å; H434-I459 PolarHBondContact N-O 2.84Å; I457-I459 HydrophobicContact CG2-CD1 4.32Å; I457-I459 HydrophobicContact CG2-CG1 4.2Å |
| 460 | A | 94.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 157.1 | -166 | 0 | 0 | 0 | 0 | 0 | 116 | L332 V333 F334 C335 H434 L464 | L332-A460 HydrophobicContact CD1-CB 4.42Å; V333-A460 PolarHBondContact O-N 3.15Å; F334-A460 CarbonylContact C-O 3.55Å; F334-A460 VanDerWaalsContact CA-O 3.27Å; F334-A460 WeakPolarHBondContact CA-O 3.36Å; F334-A460 HydrophobicContact CD1-CB 4.38Å; F334-A460 HydrophobicContact CE1-CB 4.33Å; C335-A460 PolarHBondContact N-O 2.92Å; H434-A460 HydrophobicContact CB-CB 4.19Å; H434-A460 CarbonylContact O-C 3.55Å; H434-A460 WeakPolarHBondContact O-CA 3.4Å; H434-A460 WeakPolarHBondContact O-CB 3.37Å; A460-L464 HydrophobicContact CB-CB 3.89Å; A460-L464 HydrophobicContact CB-CD2 3.56Å; A460-L464 HydrophobicContact CB-CG 4.33Å |
| 461 | T | 90.8 | Very high | 81.9 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | trans | -83.8 | 169.1 | 164.1 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | K338 H434 H435 T463 L464 | K338-T461 HydrophobicContact CG-CG2 4.44Å; H434-T461 PolarHBondContact O-N 2.91Å; H434-T461 VanDerWaalsContact O-N 3.12Å; H435-T461 WeakPolarHBondContact CA-OG1 3.4Å; H435-T461 HydrophobicContact CB-CG2 3.93Å; H435-T461 WeakPolarHBondContact CB-OG1 2.97Å; T461-T463 PolarHBondContact O-N 3.14Å; T461-T463 PolarHBondContact OG1-OG1 2.92Å; T461-L464 PolarHBondContact O-N 2.8Å | ||
| 462 | S | 83.4 | Confident | 82.1 | Confident | 32 Ų | 32 | 27.4 Ų | 27.4 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -54 | -20.6 | 174.2 | 51.4 | 0 | 0 | 0 | 0 | 114.3 | L464 S465 | S462-L464 PolarHBondContact O-N 2.84Å; S462-S465 PolarHBondContact O-N 3.36Å; S462-S465 PolarHBondContact O-OG 3.26Å |
| 463 | T | 76 | Confident | 82.5 | Confident | 60 Ų | 60 | 23.1 Ų | 23.1 | 37% | 0.368 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -63.1 | -7.6 | 172.5 | 61.6 | 0 | 0 | 0 | 0 | 115 | A436 T461 | A436-T463 HydrophobicContact CB-CG2 3.91Å; A436-T463 PolarHBondContact N-OG1 2.74Å; T461-T463 PolarHBondContact O-N 3.14Å; T461-T463 PolarHBondContact OG1-OG1 2.92Å |
| 464 | L | 77.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -99.2 | -13.8 | 167.4 | -177 | 57.4 | 0 | 0 | 0 | 112.5 | L332 F334 H434 L458 A460 T461 S462 S466 V468 L470 R498 | L332-L464 HydrophobicContact CD1-CD2 3.92Å; F334-L464 HydrophobicContact CE1-CB 4.32Å; H434-L464 HydrophobicContact CB-CD2 4.21Å; L458-L464 HydrophobicContact CD2-CD2 3.88Å; A460-L464 HydrophobicContact CB-CB 3.89Å; A460-L464 HydrophobicContact CB-CD2 3.56Å; A460-L464 HydrophobicContact CB-CG 4.33Å; T461-L464 PolarHBondContact O-N 2.8Å; S462-L464 PolarHBondContact O-N 2.84Å; L464-S466 VanDerWaalsContact C-N 3.33Å; L464-V468 HydrophobicContact CD1-CB 3.84Å; L464-V468 HydrophobicContact CD1-CG1 4.29Å; L464-V468 HydrophobicContact CD1-CG2 3.86Å; L464-L470 HydrophobicContact CD1-CD2 4.42Å; L464-L470 HydrophobicContact CD2-CD2 4.29Å; L464-R498 PolarHBondContact O-NE 2.89Å; L464-R498 PolarHBondContact O-NH1 2.89Å; L464-R498 PolarHBondContact O-NH2 3.39Å |
| 465 | S | 68 | Low | 83.2 | Confident | 6 Ų | 6 | 21 Ų | 21 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -35.1 | 175.1 | 72.2 | 0 | 0 | 0 | 0 | 111.2 | S462 R498 | S462-S465 PolarHBondContact O-N 3.36Å; S462-S465 PolarHBondContact O-OG 3.26Å; S465-R498 PolarHBondContact O-NE 3.44Å; S465-R498 PolarHBondContact O-NH2 3.4Å |
| 466 | S | 66 | Low | 83.2 | Confident | 27 Ų | 27 | 21 Ų | 21 | 19% | 0.189 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -95.1 | 131.7 | 172.5 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | L464 | L464-S466 VanDerWaalsContact C-N 3.33Š|
| 467 | G | 61.1 | Low | 83.4 | Confident | 21 Ų | 21 | 18.9 Ų | 18.9 | 22% | 0.216 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 80.4 | 27.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | V91 | V91-G467 VanDerWaalsContact CG2-O 3.28Å; V91-G467 WeakPolarHBondContact CG2-O 3.48Å |
| 468 | V | 64.9 | Low | 83.3 | Confident | 14 Ų | 14 | 21.1 Ų | 21.1 | 9% | 0.085 | 12% | 0.121 | C | C | . | . | trans | -148.1 | 135.4 | 165.1 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | E447 L464 L470 R498 | E447-V468 HydrophobicContact CG-CG1 4.15Å; E447-V468 WeakPolarHBondContact OE2-CG1 3.26Å; L464-V468 HydrophobicContact CD1-CB 3.84Å; L464-V468 HydrophobicContact CD1-CG1 4.29Å; L464-V468 HydrophobicContact CD1-CG2 3.86Å; V468-L470 HydrophobicContact CG1-CB 4.11Å; V468-L470 HydrophobicContact CG1-CD1 4.11Å; V468-L470 PolarHBondContact O-N 3.25Å; V468-L470 VanDerWaalsContact O-N 3.14Å; V468-R498 VanDerWaalsContact O-CZ 3.24Å; V468-R498 PolarHBondContact O-NH1 2.93Å; V468-R498 PolarHBondContact O-NH2 3.42Å | ||
| 469 | N | 70.8 | Confident | 83 | Confident | 117 Ų | 117 | 22.3 Ų | 22.3 | 63% | 0.626 | 13% | 0.128 | S | C | * | . | trans | -80.2 | 92.9 | 170.8 | -170.1 | 10.4 | 0 | 0 | 0 | 111.3 | R451 | R451-N469 PolarHBondContact NH2-O 3.01Š| ||
| 470 | L | 78.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | trans | -137.6 | 86.7 | -177.7 | -135.1 | 79.3 | 0 | 0 | 0 | 111.1 | E447 F450 R451 L458 L464 V468 R498 | E447-L470 HydrophobicContact CB-CD1 3.99Å; E447-L470 HydrophobicContact CG-CD1 4.34Å; E447-L470 HydrophobicContact CG-CD2 4.24Å; F450-L470 HydrophobicContact CB-CD2 4.36Å; F450-L470 HydrophobicContact CD1-CD2 3.73Å; F450-L470 HydrophobicContact CD1-CG 3.9Å; F450-L470 HydrophobicContact CE1-CD2 4.42Å; F450-L470 HydrophobicContact CE1-CG 4.48Å; F450-L470 HydrophobicContact CG-CD2 4.31Å; R451-L470 HydrophobicContact CB-CD1 4.29Å; L458-L470 HydrophobicContact CD2-CD2 3.56Å; L464-L470 HydrophobicContact CD1-CD2 4.42Å; L464-L470 HydrophobicContact CD2-CD2 4.29Å; V468-L470 HydrophobicContact CG1-CB 4.11Å; V468-L470 HydrophobicContact CG1-CD1 4.11Å; V468-L470 PolarHBondContact O-N 3.25Å; V468-L470 VanDerWaalsContact O-N 3.14Å; L470-R498 PolarHBondContact O-NH1 2.85Å | ||
| 471 | P | 82.5 | Confident | 82.4 | Confident | 45 Ų | 45 | 24.5 Ų | 24.5 | 29% | 0.292 | 14% | 0.139 | S | C | . | . | trans | -88.7 | 152.1 | 176.3 | 30.9 | -28.5 | 0 | 0 | 0 | 113.1 | R498 R501 | P471-R498 VanDerWaalsContact CA-O 3.28Å; P471-R498 WeakPolarHBondContact CA-O 3.22Å; P471-R501 HydrophobicContact CB-CB 4.46Å; P471-R501 HydrophobicContact CB-CG 3.89Å; P471-R501 HydrophobicContact CG-CB 4.42Å; P471-R501 HydrophobicContact CG-CG 4Å; P471-R501 WeakPolarHBondContact O-CG 3.3Å | ||
| 472 | A | 88.9 | Confident | 82 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -138.7 | 160.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L332 F450 R498 A499 G500 | L332-A472 HydrophobicContact CB-CB 3.72Å; F450-A472 HydrophobicContact CE1-CB 4.12Å; F450-A472 HydrophobicContact CZ-CB 3.83Å; A472-R498 PolarHBondContact N-O 3.48Å; A472-A499 CarbonylContact O-C 3.07Å; A472-A499 VanDerWaalsContact O-CA 3.27Å; A472-A499 WeakPolarHBondContact O-CA 3.26Å; A472-G500 PolarHBondContact O-N 3.42Å |
| 473 | R | 90.7 | Very high | 81.7 | Confident | 49 Ų | 49 | 30.2 Ų | 30.2 | 19% | 0.185 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -66.2 | -47 | 179.7 | 172.8 | 68.3 | 152.4 | 163.9 | -5.2 | 111.7 | T324 H329 G330 D505 T506 S507 Q509 | T324-R473 HydrophobicContact CG2-CB 4.49Å; H329-R473 HydrophobicContact CB-CB 3.78Å; H329-R473 HydrophobicContact CB-CG 3.91Å; H329-R473 PolarHBondContact CD2-NE 2.75Å; H329-R473 PolarHBondContact NE2-NE 3.01Å; G330-R473 PolarHBondContact O-N 3.4Å; R473-D505 WeakPolarHBondContact CA-OD2 3.47Å; R473-T506 PolarHBondContact NH1-OG1 3.03Å; R473-S507 VanDerWaalsContact NH1-N 3.18Å; R473-S507 PolarHBondContact NH1-O 3.27Å; R473-S507 PolarHBondContact NH1-OG 2.95Å; R473-Q509 PolarHBondContact O-N 3.26Å; R473-Q509 VanDerWaalsContact O-N 3.14Å |
| 474 | R | 92.5 | Very high | 81.7 | Confident | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.045 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 131.6 | 178.6 | -171.6 | 177.1 | -73.7 | 159.6 | -2.1 | 109.5 | P298 L320 D323 T324 V331 L332 I476 Q509 I511 | P298-R474 PolarHBondContact O-NH2 3.43Å; L320-R474 PolarHBondContact O-NH1 3.45Å; D323-R474 IonicContact OD2-CZ 2.76Å; D323-R474 VanDerWaalsContact OD2-CZ 3.27Å; D323-R474 IonicContact OD2-NH1 3.74Å; D323-R474 PolarHBondContact OD2-NH1 3.25Å; D323-R474 IonicContact OD2-NH2 2.69Å; D323-R474 PolarHBondContact OD2-NH2 3.2Å; T324-R474 HydrophobicContact CG2-CB 4.14Å; T324-R474 WeakPolarHBondContact OG1-CD 3.48Å; T324-R474 PolarHBondContact OG1-NH1 2.95Å; T324-R474 VanDerWaalsContact OG1-NH1 3.15Å; V331-R474 WeakPolarHBondContact CA-O 3.3Å; V331-R474 HydrophobicContact CG2-CB 4.28Å; L332-R474 PolarHBondContact N-O 2.87Å; R474-I476 HydrophobicContact CG-CG1 4.17Å; R474-Q509 CarbonylContact C-O 3.57Å; R474-Q509 WeakPolarHBondContact CA-O 3.33Å; R474-Q509 HydrophobicContact CG-CB 4.25Å; R474-I511 HydrophobicContact CG-CD1 4.37Å |
| 475 | V | 93.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.7 | 167.9 | 173.4 | 0 | 0 | 0 | 0 | 108.3 | L332 F334 I477 R498 A499 Q509 S510 I511 | L332-V475 HydrophobicContact CB-CG2 4.37Å; L332-V475 HydrophobicContact CD2-CG2 4.46Å; L332-V475 CarbonylContact O-C 3.41Å; L332-V475 WeakPolarHBondContact O-CA 3.42Å; F334-V475 HydrophobicContact CD2-CG1 3.77Å; F334-V475 HydrophobicContact CE2-CG1 3.86Å; V475-I477 HydrophobicContact CG1-CG1 4.37Å; V475-R498 HydrophobicContact CG2-CB 3.99Å; V475-A499 HydrophobicContact CB-CB 4.14Å; V475-A499 HydrophobicContact CG2-CB 3.77Å; V475-Q509 PolarHBondContact N-O 2.99Å; V475-S510 CarbonylContact O-C 3.57Å; V475-S510 WeakPolarHBondContact O-CA 3.4Å; V475-I511 PolarHBondContact O-N 3.01Å |
| 476 | I | 93.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131 | 177.1 | -56.8 | 177.4 | 0 | 0 | 0 | 107.6 | L320 V331 L332 V333 F334 R474 I511 L513 | L320-I476 HydrophobicContact CB-CD1 3.61Å; L320-I476 HydrophobicContact CD1-CD1 4.37Å; V331-I476 HydrophobicContact CG2-CD1 3.86Å; V331-I476 HydrophobicContact CG2-CG1 4.2Å; L332-I476 PolarHBondContact O-N 3.35Å; V333-I476 CarbonylContact C-O 3.54Å; V333-I476 WeakPolarHBondContact CA-O 3.23Å; V333-I476 HydrophobicContact CG1-CB 4.3Å; V333-I476 HydrophobicContact CG1-CG2 4.38Å; V333-I476 HydrophobicContact CG2-CB 4.35Å; V333-I476 HydrophobicContact CG2-CD1 4.4Å; F334-I476 PolarHBondContact N-O 3.28Å; R474-I476 HydrophobicContact CG-CG1 4.17Å; I476-I511 CarbonylContact C-O 3.47Å; I476-I511 WeakPolarHBondContact CA-O 3.39Å; I476-L513 HydrophobicContact CG2-CD1 3.48Å; I476-L513 VanDerWaalsContact CG2-CD1 3.48Å |
| 477 | I | 93.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 109.3 | 174.4 | -53.9 | 172.6 | 0 | 0 | 0 | 106.5 | F334 V475 T479 F482 L487 Y492 M495 I511 L512 L513 | F334-I477 HydrophobicContact CB-CG1 4.35Å; F334-I477 HydrophobicContact CB-CG2 4.48Å; F334-I477 HydrophobicContact CD2-CG1 4.39Å; V475-I477 HydrophobicContact CG1-CG1 4.37Å; I477-T479 VanDerWaalsContact C-N 3.25Å; I477-T479 PolarHBondContact O-N 3.12Å; I477-F482 HydrophobicContact CG2-CE2 4.33Å; I477-L487 HydrophobicContact CG2-CD1 3.93Å; I477-Y492 HydrophobicContact CD1-CD2 3.72Å; I477-Y492 HydrophobicContact CD1-CE2 3.8Å; I477-M495 HydrophobicContact CD1-CB 3.7Å; I477-M495 HydrophobicContact CD1-CG 4.46Å; I477-M495 HydrophobicContact CD1-SD 3.96Å; I477-M495 HydrophobicContact CG1-CB 4.18Å; I477-M495 HydrophobicContact CG1-SD 4.12Å; I477-M495 HydrophobicContact CG2-SD 4.14Å; I477-I511 PolarHBondContact N-O 3.29Å; I477-L512 HydrophobicContact CB-CD1 3.81Å; I477-L512 HydrophobicContact CG2-CD1 3.68Å; I477-L513 PolarHBondContact O-N 2.83Å |
| 478 | R | 91.1 | Very high | 84.6 | Confident | 48 Ų | 48 | 43.2 Ų | 43.2 | 18% | 0.181 | 23% | 0.232 | C | C | . | . | trans | -69.7 | -17 | -166.5 | -173.2 | 171.2 | 173.7 | -163.4 | -0.2 | 114.4 | D315 V317 F334 W340 | D315-R478 IonicContact OD2-CZ 2.72Å; D315-R478 VanDerWaalsContact OD2-CZ 3.24Å; D315-R478 IonicContact OD2-NE 2.82Å; D315-R478 PolarHBondContact OD2-NE 2.8Å; D315-R478 IonicContact OD2-NH2 2.87Å; D315-R478 PolarHBondContact OD2-NH2 3.03Å; V317-R478 HydrophobicContact CG2-CG 4.16Å; F334-R478 PolarHBondContact O-N 3.41Å; W340-R478 HydrophobicContact CZ3-CG 4.29Å | ||
| 479 | T | 90.1 | Very high | 85.5 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 15% | 0.153 | 24% | 0.236 | C | C | . | . | trans | -162.3 | 147.6 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | P336 I477 L481 F482 L513 | P336-T479 HydrophobicContact CB-CG2 3.95Å; P336-T479 HydrophobicContact CG-CG2 3.77Å; I477-T479 VanDerWaalsContact C-N 3.25Å; I477-T479 PolarHBondContact O-N 3.12Å; T479-L481 WeakPolarHBondContact CG2-O 3.49Å; T479-L481 PolarHBondContact O-N 3.31Å; T479-L481 PolarHBondContact OG1-N 2.89Å; T479-F482 HydrophobicContact CG2-CD2 4.38Å; T479-F482 HydrophobicContact CG2-CE2 4.27Å; T479-F482 WeakPolarHBondContact O-CE2 3.48Å; T479-L513 WeakPolarHBondContact CA-O 3.15Å | ||
| 480 | P | 88.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -75.9 | -7.7 | 168 | 34 | -38.1 | 0 | 0 | 0 | 113.2 | V486 L487 L512 L513 C514 D518 V522 | P480-V486 CarbonylContact O-C 3.33Å; P480-V486 WeakPolarHBondContact O-CA 3.2Å; P480-L487 PolarHBondContact O-N 2.83Å; P480-L512 HydrophobicContact CB-CD1 4.35Å; P480-L513 VanDerWaalsContact CD-O 3.23Å; P480-L513 WeakPolarHBondContact CD-O 3.25Å; P480-C514 HydrophobicContact CG-CB 4.14Å; P480-D518 HydrophobicContact CG-CB 4.3Å; P480-V522 HydrophobicContact CB-CG2 3.61Å; P480-V522 HydrophobicContact CG-CG2 3.71Å |
| 481 | L | 88.5 | Confident | 86.1 | Confident | 43 Ų | 43 | 41.6 Ų | 41.6 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 104.7 | -176.1 | -62.5 | 176.8 | 0 | 0 | 0 | 111.6 | T479 K485 V486 | T479-L481 WeakPolarHBondContact CG2-O 3.49Å; T479-L481 PolarHBondContact O-N 3.31Å; T479-L481 PolarHBondContact OG1-N 2.89Å; L481-K485 CarbonylContact C-O 3.59Å; L481-K485 VanDerWaalsContact CA-O 3.26Å; L481-K485 WeakPolarHBondContact CA-O 3.45Å; L481-V486 HydrophobicContact CD2-CG2 3.93Å |
| 482 | F | 81.7 | Confident | 86.5 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.3 | 175.3 | -86.6 | -127.3 | 0 | 0 | 0 | 109.1 | C335 P336 I477 T479 G484 K485 L487 M495 | C335-F482 VanDerWaalsContact O-CE1 3.29Å; C335-F482 WeakPolarHBondContact O-CE1 3.48Å; C335-F482 WeakPolarHBondContact O-CZ 3.34Å; P336-F482 HydrophobicContact CB-CD1 4.36Å; P336-F482 HydrophobicContact CB-CD2 3.96Å; P336-F482 HydrophobicContact CB-CE2 4.18Å; P336-F482 HydrophobicContact CB-CG 4.04Å; P336-F482 HydrophobicContact CB-CZ 4.48Å; I477-F482 HydrophobicContact CG2-CE2 4.33Å; T479-F482 HydrophobicContact CG2-CD2 4.38Å; T479-F482 HydrophobicContact CG2-CE2 4.27Å; T479-F482 WeakPolarHBondContact O-CE2 3.48Å; F482-G484 PolarHBondContact O-N 3.43Å; F482-G484 VanDerWaalsContact O-N 3.14Å; F482-K485 PolarHBondContact N-O 3.37Å; F482-K485 PolarHBondContact O-N 3.4Å; F482-K485 VanDerWaalsContact O-O 3.07Å; F482-L487 HydrophobicContact CB-CD2 4.29Å; F482-L487 HydrophobicContact CB-CG 4.34Å; F482-L487 HydrophobicContact CD1-CD2 4.13Å; F482-L487 HydrophobicContact CD2-CD1 3.75Å; F482-L487 HydrophobicContact CD2-CD2 3.92Å; F482-L487 HydrophobicContact CD2-CG 3.63Å; F482-L487 HydrophobicContact CE1-CD2 4.48Å; F482-L487 HydrophobicContact CE2-CD1 3.73Å; F482-L487 HydrophobicContact CE2-CD2 4.29Å; F482-L487 HydrophobicContact CE2-CG 4.11Å; F482-L487 HydrophobicContact CG-CD2 3.85Å; F482-L487 HydrophobicContact CG-CG 3.99Å; F482-L487 HydrophobicContact CZ-CD1 4.46Å; F482-M495 HydrophobicContact CE1-CE 3.7Å; F482-M495 HydrophobicContact CZ-CE 3.73Å; F482-M495 HydrophobicContact CZ-SD 4.49Å |
| 483 | H | 77 | Confident | 86.3 | Confident | 148 Ų | 148 | 42.1 Ų | 42.1 | 69% | 0.685 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 36 | -176.6 | -54.9 | 84.1 | 0 | 0 | 0 | 113.8 | P336 K485 | P336-H483 PolarHBondContact O-CE1 2.92Å; H483-K485 PolarHBondContact O-N 2.82Å |
| 484 | G | 75.5 | Confident | 85.9 | Confident | 73 Ų | 73 | 40.9 Ų | 40.9 | 75% | 0.753 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -10 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | F482 | F482-G484 PolarHBondContact O-N 3.43Å; F482-G484 VanDerWaalsContact O-N 3.14Å |
| 485 | K | 81.3 | Confident | 85.7 | Confident | 166 Ų | 166 | 40.3 Ų | 40.3 | 72% | 0.722 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 157 | 173.2 | -61.7 | -176.9 | -178.4 | 178.4 | 0 | 110.2 | L481 F482 H483 | L481-K485 CarbonylContact C-O 3.59Å; L481-K485 VanDerWaalsContact CA-O 3.26Å; L481-K485 WeakPolarHBondContact CA-O 3.45Å; F482-K485 PolarHBondContact N-O 3.37Å; F482-K485 PolarHBondContact O-N 3.4Å; F482-K485 VanDerWaalsContact O-O 3.07Å; H483-K485 PolarHBondContact O-N 2.82Å |
| 486 | V | 84.4 | Confident | 85.5 | Confident | 60 Ų | 60 | 40.3 Ų | 40.3 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 139.4 | 167.5 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | P480 L481 R521 L525 | P480-V486 CarbonylContact O-C 3.33Å; P480-V486 WeakPolarHBondContact O-CA 3.2Å; L481-V486 HydrophobicContact CD2-CG2 3.93Å; V486-R521 HydrophobicContact CG2-CB 4.15Å; V486-R521 HydrophobicContact CG2-CG 4.44Å; V486-L525 HydrophobicContact CG1-CB 4.47Å; V486-L525 HydrophobicContact CG1-CD2 4.29Å |
| 487 | L | 85.5 | Confident | 85 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -50.3 | 141.2 | 168.7 | -89.5 | 166.8 | 0 | 0 | 0 | 110.6 | I477 P480 F482 T491 M495 L525 | I477-L487 HydrophobicContact CG2-CD1 3.93Å; P480-L487 PolarHBondContact O-N 2.83Å; F482-L487 HydrophobicContact CB-CD2 4.29Å; F482-L487 HydrophobicContact CB-CG 4.34Å; F482-L487 HydrophobicContact CD1-CD2 4.13Å; F482-L487 HydrophobicContact CD2-CD1 3.75Å; F482-L487 HydrophobicContact CD2-CD2 3.92Å; F482-L487 HydrophobicContact CD2-CG 3.63Å; F482-L487 HydrophobicContact CE1-CD2 4.48Å; F482-L487 HydrophobicContact CE2-CD1 3.73Å; F482-L487 HydrophobicContact CE2-CD2 4.29Å; F482-L487 HydrophobicContact CE2-CG 4.11Å; F482-L487 HydrophobicContact CG-CD2 3.85Å; F482-L487 HydrophobicContact CG-CG 3.99Å; F482-L487 HydrophobicContact CZ-CD1 4.46Å; L487-T491 HydrophobicContact CD2-CG2 3.59Å; L487-M495 HydrophobicContact CD1-SD 4.36Å; L487-M495 HydrophobicContact CD2-CE 4.28Å; L487-L525 HydrophobicContact CB-CD2 4.23Å; L487-L525 WeakPolarHBondContact O-CD1 3.44Å |
| 488 | D | 82.2 | Confident | 84.6 | Confident | 78 Ų | 78 | 42.1 Ų | 42.1 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -78.4 | 160 | 167.6 | 70.9 | 90.4 | 0 | 0 | 0 | 111.1 | L490 T491 Y492 | D488-L490 VanDerWaalsContact C-N 3.33Å; D488-L490 PolarHBondContact O-N 3.03Å; D488-L490 WeakPolarHBondContact OD1-CA 3.43Å; D488-L490 WeakPolarHBondContact OD1-CB 3.36Å; D488-L490 PolarHBondContact OD1-N 3.04Å; D488-T491 PolarHBondContact OD1-N 2.66Å; D488-T491 PolarHBondContact OD1-OG1 2.9Å; D488-T491 WeakPolarHBondContact OD2-CB 3.48Å; D488-T491 PolarHBondContact OD2-OG1 3.18Å; D488-Y492 WeakPolarHBondContact O-CB 3.49Å; D488-Y492 PolarHBondContact O-N 3.06Å |
| 489 | F | 83.9 | Confident | 84.4 | Confident | 38 Ų | 38 | 39.8 Ų | 39.8 | 17% | 0.167 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.3 | -29.8 | -174.8 | -174.1 | -90.7 | 0 | 0 | 0 | 113.2 | K493 L525 G529 M530 | F489-K493 HydrophobicContact CD1-CG 3.96Å; F489-K493 HydrophobicContact CE1-CD 4.46Å; F489-K493 HydrophobicContact CE1-CG 3.6Å; F489-K493 HydrophobicContact CZ-CD 4.33Å; F489-K493 VanDerWaalsContact CZ-CE 3.42Å; F489-K493 HydrophobicContact CZ-CG 3.93Å; F489-K493 WeakPolarHBondContact O-CB 3.28Å; F489-K493 WeakPolarHBondContact O-CG 3.39Å; F489-K493 PolarHBondContact O-N 3.32Å; F489-L525 HydrophobicContact CB-CD1 3.99Å; F489-L525 WeakPolarHBondContact CD2-O 3.5Å; F489-G529 WeakPolarHBondContact CB-O 3.37Å; F489-G529 VanDerWaalsContact CD1-C 3.42Å; F489-G529 WeakPolarHBondContact CG-O 3.47Å; F489-M530 HydrophobicContact CD1-CB 4.14Å; F489-M530 HydrophobicContact CD1-CG 3.68Å; F489-M530 VanDerWaalsContact CD1-N 3.27Å; F489-M530 HydrophobicContact CE1-CG 4.31Å |
| 490 | L | 80.2 | Confident | 84.1 | Confident | 35 Ų | 35 | 38.7 Ų | 38.7 | 18% | 0.183 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.3 | -51.3 | 178.9 | 172.2 | 62.9 | 0 | 0 | 0 | 110.1 | H161 D488 Y492 K493 Q494 M530 | H161-L490 VanDerWaalsContact CD2-CD2 3.4Å; H161-L490 WeakPolarHBondContact CD2-CD2 3.49Å; D488-L490 VanDerWaalsContact C-N 3.33Å; D488-L490 PolarHBondContact O-N 3.03Å; D488-L490 WeakPolarHBondContact OD1-CA 3.43Å; D488-L490 WeakPolarHBondContact OD1-CB 3.36Å; D488-L490 PolarHBondContact OD1-N 3.04Å; L490-Y492 VanDerWaalsContact C-N 3.31Å; L490-Y492 PolarHBondContact O-N 3.35Å; L490-K493 PolarHBondContact O-N 3.08Å; L490-K493 VanDerWaalsContact O-N 3.15Å; L490-Q494 HydrophobicContact CD1-CG 4.17Å; L490-Q494 WeakPolarHBondContact O-CG 3.39Å; L490-Q494 PolarHBondContact O-N 3.38Å; L490-M530 HydrophobicContact CB-CG 4.32Å; L490-M530 HydrophobicContact CB-SD 3.91Å; L490-M530 HydrophobicContact CD1-CE 4.37Å; L490-M530 HydrophobicContact CD1-SD 3.86Å; L490-M530 HydrophobicContact CD2-SD 4.46Å; L490-M530 HydrophobicContact CG-SD 4.28Å |
| 491 | T | 83.7 | Confident | 83.5 | Confident | 26 Ų | 26 | 41.3 Ų | 41.3 | 16% | 0.16 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -44.3 | 174.6 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | L487 D488 K493 Q494 M495 | L487-T491 HydrophobicContact CD2-CG2 3.59Å; D488-T491 PolarHBondContact OD1-N 2.66Å; D488-T491 PolarHBondContact OD1-OG1 2.9Å; D488-T491 WeakPolarHBondContact OD2-CB 3.48Å; D488-T491 PolarHBondContact OD2-OG1 3.18Å; T491-K493 PolarHBondContact O-N 3.24Å; T491-Q494 PolarHBondContact O-N 2.78Å; T491-M495 HydrophobicContact CG2-CE 3.69Å; T491-M495 HydrophobicContact CG2-SD 4.35Å; T491-M495 WeakPolarHBondContact O-CG 3.22Å; T491-M495 PolarHBondContact O-N 3.11Å |
| 492 | Y | 88.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.9 | -46.1 | 174.7 | 170.1 | -98.1 | 0 | 0 | 0 | 112.5 | E255 I477 D488 L490 M495 S496 L512 | E255-Y492 VanDerWaalsContact OE1-CE1 3.3Å; E255-Y492 WeakPolarHBondContact OE1-CE1 3.34Å; E255-Y492 PolarHBondContact OE1-OH 2.91Å; I477-Y492 HydrophobicContact CD1-CD2 3.72Å; I477-Y492 HydrophobicContact CD1-CE2 3.8Å; D488-Y492 WeakPolarHBondContact O-CB 3.49Å; D488-Y492 PolarHBondContact O-N 3.06Å; L490-Y492 VanDerWaalsContact C-N 3.31Å; L490-Y492 PolarHBondContact O-N 3.35Å; Y492-M495 WeakPolarHBondContact O-CB 3.47Å; Y492-M495 PolarHBondContact O-N 3.19Å; Y492-S496 PolarHBondContact O-N 3.22Å; Y492-L512 HydrophobicContact CD2-CD2 4.33Å; Y492-L512 HydrophobicContact CE2-CB 4.4Å; Y492-L512 HydrophobicContact CE2-CD2 4.01Å |
| 493 | K | 85 | Confident | 82.2 | Confident | 55 Ų | 55 | 47.7 Ų | 47.7 | 24% | 0.239 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.8 | -28.9 | 177.9 | -70.7 | -58.5 | -175.8 | -170.3 | 0 | 113.9 | E255 F489 L490 T491 M495 G497 | E255-K493 IonicContact OE1-NZ 2.76Å; E255-K493 PolarHBondContact OE1-NZ 2.97Å; E255-K493 IonicContact OE2-NZ 3.8Å; E255-K493 PolarHBondContact OE2-NZ 3.15Å; F489-K493 HydrophobicContact CD1-CG 3.96Å; F489-K493 HydrophobicContact CE1-CD 4.46Å; F489-K493 HydrophobicContact CE1-CG 3.6Å; F489-K493 HydrophobicContact CZ-CD 4.33Å; F489-K493 VanDerWaalsContact CZ-CE 3.42Å; F489-K493 HydrophobicContact CZ-CG 3.93Å; F489-K493 WeakPolarHBondContact O-CB 3.28Å; F489-K493 WeakPolarHBondContact O-CG 3.39Å; F489-K493 PolarHBondContact O-N 3.32Å; L490-K493 PolarHBondContact O-N 3.08Å; L490-K493 VanDerWaalsContact O-N 3.15Å; T491-K493 PolarHBondContact O-N 3.24Å; K493-M495 VanDerWaalsContact C-N 3.29Å; K493-G497 WeakPolarHBondContact O-CA 3.36Å; K493-G497 PolarHBondContact O-N 3.11Å |
| 494 | Q | 83.3 | Confident | 82.3 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.4 | -30.7 | 169.6 | -73.2 | -179.5 | 5.6 | 0 | 0 | 112 | L490 T491 R498 | L490-Q494 HydrophobicContact CD1-CG 4.17Å; L490-Q494 WeakPolarHBondContact O-CG 3.39Å; L490-Q494 PolarHBondContact O-N 3.38Å; T491-Q494 PolarHBondContact O-N 2.78Å; Q494-R498 WeakPolarHBondContact O-CD 3.14Å; Q494-R498 PolarHBondContact O-NE 2.89Å |
| 495 | M | 88.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.2 | -59.9 | 171.1 | -69.2 | 174.6 | 176.9 | 0 | 0 | 111.4 | F334 I477 F482 L487 T491 Y492 K493 G497 R498 | F334-M495 HydrophobicContact CB-CE 4.03Å; F334-M495 HydrophobicContact CB-CG 4.45Å; F334-M495 HydrophobicContact CB-SD 3.86Å; F334-M495 HydrophobicContact CD1-CE 3.84Å; F334-M495 HydrophobicContact CD1-CG 4Å; F334-M495 HydrophobicContact CD1-SD 4.25Å; F334-M495 HydrophobicContact CD2-CB 3.69Å; F334-M495 HydrophobicContact CD2-CG 3.59Å; F334-M495 HydrophobicContact CD2-SD 4.09Å; F334-M495 HydrophobicContact CE1-CE 4.5Å; F334-M495 HydrophobicContact CE1-CG 4.1Å; F334-M495 HydrophobicContact CE2-CB 3.68Å; F334-M495 HydrophobicContact CE2-CG 3.7Å; F334-M495 HydrophobicContact CG-CB 4.34Å; F334-M495 HydrophobicContact CG-CE 3.95Å; F334-M495 HydrophobicContact CG-CG 3.74Å; F334-M495 HydrophobicContact CG-SD 3.8Å; F334-M495 HydrophobicContact CZ-CB 4.33Å; F334-M495 HydrophobicContact CZ-CG 3.95Å; I477-M495 HydrophobicContact CD1-CB 3.7Å; I477-M495 HydrophobicContact CD1-CG 4.46Å; I477-M495 HydrophobicContact CD1-SD 3.96Å; I477-M495 HydrophobicContact CG1-CB 4.18Å; I477-M495 HydrophobicContact CG1-SD 4.12Å; I477-M495 HydrophobicContact CG2-SD 4.14Å; F482-M495 HydrophobicContact CE1-CE 3.7Å; F482-M495 HydrophobicContact CZ-CE 3.73Å; F482-M495 HydrophobicContact CZ-SD 4.49Å; L487-M495 HydrophobicContact CD1-SD 4.36Å; L487-M495 HydrophobicContact CD2-CE 4.28Å; T491-M495 HydrophobicContact CG2-CE 3.69Å; T491-M495 HydrophobicContact CG2-SD 4.35Å; T491-M495 WeakPolarHBondContact O-CG 3.22Å; T491-M495 PolarHBondContact O-N 3.11Å; Y492-M495 WeakPolarHBondContact O-CB 3.47Å; Y492-M495 PolarHBondContact O-N 3.19Å; K493-M495 VanDerWaalsContact C-N 3.29Å; M495-G497 PolarHBondContact O-N 2.97Å; M495-R498 WeakPolarHBondContact O-CB 3.42Å; M495-R498 PolarHBondContact O-N 3.02Å; M495-R498 VanDerWaalsContact O-N 3.14Å |
| 496 | S | 88.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -30.5 | -175.9 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | L253 E255 Y492 R498 A499 S510 | L253-S496 WeakPolarHBondContact CD1-O 3.05Å; E255-S496 PolarHBondContact OE1-OG 2.78Å; Y492-S496 PolarHBondContact O-N 3.22Å; S496-R498 PolarHBondContact O-N 3.07Å; S496-A499 PolarHBondContact O-N 3.12Å; S496-A499 VanDerWaalsContact O-N 3.15Å; S496-S510 WeakPolarHBondContact CB-OG 3.32Å |
| 497 | G | 82.3 | Confident | 82.6 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -4.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | R249 K493 M495 | R249-G497 PolarHBondContact NH2-O 3.34Å; K493-G497 WeakPolarHBondContact O-CA 3.36Å; K493-G497 PolarHBondContact O-N 3.11Å; M495-G497 PolarHBondContact O-N 2.97Å |
| 498 | R | 85.5 | Confident | 82.7 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8 | 174.5 | -69.7 | 168.4 | 175.9 | -82.9 | -9 | 114.5 | L332 L464 S465 V468 L470 P471 A472 V475 Q494 M495 S496 | L332-R498 HydrophobicContact CD2-CB 4.21Å; L464-R498 PolarHBondContact O-NE 2.89Å; L464-R498 PolarHBondContact O-NH1 2.89Å; L464-R498 PolarHBondContact O-NH2 3.39Å; S465-R498 PolarHBondContact O-NE 3.44Å; S465-R498 PolarHBondContact O-NH2 3.4Å; V468-R498 VanDerWaalsContact O-CZ 3.24Å; V468-R498 PolarHBondContact O-NH1 2.93Å; V468-R498 PolarHBondContact O-NH2 3.42Å; L470-R498 PolarHBondContact O-NH1 2.85Å; P471-R498 VanDerWaalsContact CA-O 3.28Å; P471-R498 WeakPolarHBondContact CA-O 3.22Å; A472-R498 PolarHBondContact N-O 3.48Å; V475-R498 HydrophobicContact CG2-CB 3.99Å; Q494-R498 WeakPolarHBondContact O-CD 3.14Å; Q494-R498 PolarHBondContact O-NE 2.89Å; M495-R498 WeakPolarHBondContact O-CB 3.42Å; M495-R498 PolarHBondContact O-N 3.02Å; M495-R498 VanDerWaalsContact O-N 3.14Å; S496-R498 PolarHBondContact O-N 3.07Å |
| 499 | A | 87.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 131.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R249 L253 A472 V475 S496 Q509 | R249-A499 VanDerWaalsContact CZ-O 3.27Å; R249-A499 PolarHBondContact NH1-O 2.94Å; R249-A499 PolarHBondContact NH2-O 3.37Å; L253-A499 HydrophobicContact CD1-CB 3.69Å; A472-A499 CarbonylContact O-C 3.07Å; A472-A499 VanDerWaalsContact O-CA 3.27Å; A472-A499 WeakPolarHBondContact O-CA 3.26Å; V475-A499 HydrophobicContact CB-CB 4.14Å; V475-A499 HydrophobicContact CG2-CB 3.77Å; S496-A499 PolarHBondContact O-N 3.12Å; S496-A499 VanDerWaalsContact O-N 3.15Å; A499-Q509 WeakPolarHBondContact CB-O 3.45Å |
| 500 | G | 83.6 | Confident | 83.4 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 90.3 | 106.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A472 | A472-G500 PolarHBondContact O-N 3.42Š|
| 501 | R | 76 | Confident | 84 | Confident | 57 Ų | 57 | 33.1 Ų | 33.1 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | trans | -80.7 | 116.9 | 174.7 | -61.2 | 171.5 | -68.1 | 166.2 | 5.6 | 110.7 | P471 G503 V504 D505 | P471-R501 HydrophobicContact CB-CB 4.46Å; P471-R501 HydrophobicContact CB-CG 3.89Å; P471-R501 HydrophobicContact CG-CB 4.42Å; P471-R501 HydrophobicContact CG-CG 4Å; P471-R501 WeakPolarHBondContact O-CG 3.3Å; R501-G503 PolarHBondContact O-N 3.05Å; R501-V504 HydrophobicContact CB-CB 4.04Å; R501-V504 PolarHBondContact O-N 3.22Å; R501-V504 VanDerWaalsContact O-N 3.1Å; R501-D505 HydrophobicContact CB-CB 4.48Å; R501-D505 WeakPolarHBondContact CB-OD2 3.4Å; R501-D505 WeakPolarHBondContact CG-OD2 3.38Å; R501-D505 IonicContact CZ-OD1 3.69Å; R501-D505 IonicContact CZ-OD2 3.43Å; R501-D505 PolarHBondContact N-OD2 3.32Å; R501-D505 IonicContact NE-OD1 3.27Å; R501-D505 PolarHBondContact NE-OD1 3.06Å; R501-D505 IonicContact NE-OD2 2.7Å; R501-D505 PolarHBondContact NE-OD2 2.79Å; R501-D505 IonicContact NH2-OD1 2.79Å; R501-D505 PolarHBondContact NH2-OD1 3.44Å; R501-D505 IonicContact NH2-OD2 2.76Å; R501-D505 PolarHBondContact O-N 3.03Å | ||
| 502 | Q | 73 | Confident | 84.4 | Confident | 110 Ų | 110 | 32 Ų | 32 | 51% | 0.514 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 131.7 | 175.4 | -179 | 176.5 | -16.8 | 0 | 0 | 110.9 | P250 V251 V504 | P250-Q502 HydrophobicContact CB-CG 4.34Å; P250-Q502 HydrophobicContact CG-CG 4.15Å; V251-Q502 HydrophobicContact CG2-CB 4.39Å; Q502-V504 VanDerWaalsContact C-N 3.27Å; Q502-V504 PolarHBondContact O-N 2.89Å |
| 503 | G | 71.2 | Confident | 84.4 | Confident | 82 Ų | 82 | 32.1 Ų | 32.1 | 85% | 0.845 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 0.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R501 | R501-G503 PolarHBondContact O-N 3.05Š|
| 504 | V | 77.9 | Confident | 84.6 | Confident | 100 Ų | 100 | 29.7 Ų | 29.7 | 61% | 0.606 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.2 | -44.6 | -178.6 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | R501 Q502 | R501-V504 HydrophobicContact CB-CB 4.04Å; R501-V504 PolarHBondContact O-N 3.22Å; R501-V504 VanDerWaalsContact O-N 3.1Å; Q502-V504 VanDerWaalsContact C-N 3.27Å; Q502-V504 PolarHBondContact O-N 2.89Å |
| 505 | D | 81 | Confident | 84.7 | Confident | 12 Ų | 12 | 33.6 Ų | 33.6 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | trans | -102.3 | 135.6 | -178.6 | -60.1 | -40 | 0 | 0 | 0 | 111.7 | V251 R473 R501 S507 | V251-D505 WeakPolarHBondContact CG1-O 3.35Å; R473-D505 WeakPolarHBondContact CA-OD2 3.47Å; R501-D505 HydrophobicContact CB-CB 4.48Å; R501-D505 WeakPolarHBondContact CB-OD2 3.4Å; R501-D505 WeakPolarHBondContact CG-OD2 3.38Å; R501-D505 IonicContact CZ-OD1 3.69Å; R501-D505 IonicContact CZ-OD2 3.43Å; R501-D505 PolarHBondContact N-OD2 3.32Å; R501-D505 IonicContact NE-OD1 3.27Å; R501-D505 PolarHBondContact NE-OD1 3.06Å; R501-D505 IonicContact NE-OD2 2.7Å; R501-D505 PolarHBondContact NE-OD2 2.79Å; R501-D505 IonicContact NH2-OD1 2.79Å; R501-D505 PolarHBondContact NH2-OD1 3.44Å; R501-D505 IonicContact NH2-OD2 2.76Å; R501-D505 PolarHBondContact O-N 3.03Å; D505-S507 VanDerWaalsContact C-N 3.25Å; D505-S507 PolarHBondContact O-N 3.14Å | ||
| 506 | T | 81.3 | Confident | 84.3 | Confident | 115 Ų | 115 | 36.8 Ų | 36.8 | 71% | 0.706 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -70.4 | -20.2 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | R473 | R473-T506 PolarHBondContact NH1-OG1 3.03Š|
| 507 | S | 85 | Confident | 84.1 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | trans | -164 | 160.3 | -178.6 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | R473 D505 | R473-S507 VanDerWaalsContact NH1-N 3.18Å; R473-S507 PolarHBondContact NH1-O 3.27Å; R473-S507 PolarHBondContact NH1-OG 2.95Å; D505-S507 VanDerWaalsContact C-N 3.25Å; D505-S507 PolarHBondContact O-N 3.14Å | ||
| 508 | G | 87.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P252 T254 | P252-G508 PolarHBondContact O-N 3.38Å; T254-G508 PolarHBondContact N-O 2.92Å |
| 509 | Q | 90.9 | Very high | 84.2 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.6 | 172.8 | -69.4 | 179.7 | -18.3 | 0 | 0 | 110.9 | R473 R474 V475 A499 | R473-Q509 PolarHBondContact O-N 3.26Å; R473-Q509 VanDerWaalsContact O-N 3.14Å; R474-Q509 CarbonylContact C-O 3.57Å; R474-Q509 WeakPolarHBondContact CA-O 3.33Å; R474-Q509 HydrophobicContact CG-CB 4.25Å; V475-Q509 PolarHBondContact N-O 2.99Å; A499-Q509 WeakPolarHBondContact CB-O 3.45Å |
| 510 | S | 91.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131 | 169.4 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | T254 F256 V475 S496 | T254-S510 PolarHBondContact O-N 3.41Å; F256-S510 PolarHBondContact N-O 3.42Å; V475-S510 CarbonylContact O-C 3.57Å; V475-S510 WeakPolarHBondContact O-CA 3.4Å; S496-S510 WeakPolarHBondContact CB-OG 3.32Å |
| 511 | I | 91.7 | Very high | 84 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 117.2 | -178.1 | -50.3 | 178.1 | 0 | 0 | 0 | 109.7 | F256 L258 F269 L320 R474 V475 I476 I477 L513 | F256-I511 HydrophobicContact CB-CG1 4.47Å; F256-I511 WeakPolarHBondContact O-CA 3.46Å; L258-I511 HydrophobicContact CB-CG2 3.92Å; F269-I511 HydrophobicContact CE1-CG2 4.35Å; L320-I511 HydrophobicContact CD1-CD1 4.2Å; L320-I511 HydrophobicContact CD1-CG2 4.42Å; L320-I511 HydrophobicContact CD2-CD1 3.77Å; R474-I511 HydrophobicContact CG-CD1 4.37Å; V475-I511 PolarHBondContact O-N 3.01Å; I476-I511 CarbonylContact C-O 3.47Å; I476-I511 WeakPolarHBondContact CA-O 3.39Å; I477-I511 PolarHBondContact N-O 3.29Å; I511-L513 HydrophobicContact CG2-CD1 4.16Å |
| 512 | L | 92 | Very high | 84.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 111.7 | 173.6 | 173 | 58.6 | 0 | 0 | 0 | 110.1 | F256 I257 L258 I477 P480 Y492 V522 | F256-L512 PolarHBondContact O-N 3.4Å; I257-L512 CarbonylContact C-O 3.41Å; I257-L512 VanDerWaalsContact CA-O 3.3Å; I257-L512 WeakPolarHBondContact CA-O 3.48Å; I257-L512 WeakPolarHBondContact CG2-O 2.99Å; L258-L512 PolarHBondContact N-O 3.22Å; I477-L512 HydrophobicContact CB-CD1 3.81Å; I477-L512 HydrophobicContact CG2-CD1 3.68Å; P480-L512 HydrophobicContact CB-CD1 4.35Å; Y492-L512 HydrophobicContact CD2-CD2 4.33Å; Y492-L512 HydrophobicContact CE2-CB 4.4Å; Y492-L512 HydrophobicContact CE2-CD2 4.01Å; L512-V522 HydrophobicContact CD2-CG1 3.53Å; L512-V522 HydrophobicContact CD2-CG2 4.29Å |
| 513 | L | 89.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 134.7 | 174 | -76.9 | 73.5 | 0 | 0 | 0 | 109.8 | L258 D315 V317 L320 I476 I477 T479 P480 I511 | L258-L513 HydrophobicContact CB-CG 4.4Å; L258-L513 HydrophobicContact CD2-CG 4.35Å; L258-L513 WeakPolarHBondContact O-CA 3.44Å; D315-L513 HydrophobicContact CB-CD2 4.49Å; D315-L513 WeakPolarHBondContact O-CD2 3.27Å; V317-L513 HydrophobicContact CG2-CD2 3.51Å; L320-L513 HydrophobicContact CD1-CD1 4.38Å; I476-L513 HydrophobicContact CG2-CD1 3.48Å; I476-L513 VanDerWaalsContact CG2-CD1 3.48Å; I477-L513 PolarHBondContact O-N 2.83Å; T479-L513 WeakPolarHBondContact CA-O 3.15Å; P480-L513 VanDerWaalsContact CD-O 3.23Å; P480-L513 WeakPolarHBondContact CD-O 3.25Å; I511-L513 HydrophobicContact CG2-CD1 4.16Å |
| 514 | C | 87.6 | Confident | 85.3 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 163.6 | 171.4 | 73.2 | 0 | 0 | 0 | 0 | 111.3 | I257 L258 S259 C260 P480 V522 | I257-C514 VanDerWaalsContact CG2-SG 3.58Å; L258-C514 PolarHBondContact O-N 3.29Å; S259-C514 WeakPolarHBondContact CA-O 3.37Å; C260-C514 PolarHBondContact N-O 3.25Å; P480-C514 HydrophobicContact CG-CB 4.14Å; C514-V522 HydrophobicContact CB-CG2 4.07Å |
| 515 | K | 85.5 | Confident | 85.6 | Confident | 106 Ų | 106 | 45.8 Ų | 45.8 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | trans | -96 | 150.1 | 170.6 | -54.5 | -161.5 | 178.8 | -155.7 | 0 | 108.1 | D315 K517 D518 L519 | D315-K515 IonicContact OD1-NZ 2.67Å; K515-K517 PolarHBondContact O-N 3.2Å; K515-D518 PolarHBondContact O-N 3.44Å; K515-L519 PolarHBondContact O-N 2.76Å | ||
| 516 | P | 81.7 | Confident | 85.7 | Confident | 67 Ų | 67 | 46.4 Ų | 46.4 | 44% | 0.435 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -50.7 | -38.7 | -172.1 | -30.7 | 33.7 | 0 | 0 | 0 | 114.8 | C260 D261 D518 L519 | C260-P516 WeakPolarHBondContact O-CD 3.35Å; D261-P516 HydrophobicContact CB-CG 4.13Å; P516-D518 VanDerWaalsContact C-N 3.25Å; P516-D518 PolarHBondContact O-N 3.27Å; P516-L519 WeakPolarHBondContact O-CB 3.38Å; P516-L519 PolarHBondContact O-N 2.83Å |
| 517 | K | 83.8 | Confident | 85.5 | Confident | 168 Ų | 168 | 45.1 Ų | 45.1 | 73% | 0.73 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -62.1 | -24.9 | 176.5 | 71.7 | -178.9 | -173.8 | 176.2 | 0 | 114.9 | K515 | K515-K517 PolarHBondContact O-N 3.2Š|
| 518 | D | 85.2 | Confident | 84.8 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -97.9 | -11 | -176 | -68.1 | -65 | 0 | 0 | 0 | 112.1 | P480 K515 P516 G520 R521 V522 | P480-D518 HydrophobicContact CG-CB 4.3Å; K515-D518 PolarHBondContact O-N 3.44Å; P516-D518 VanDerWaalsContact C-N 3.25Å; P516-D518 PolarHBondContact O-N 3.27Å; D518-G520 VanDerWaalsContact C-N 3.26Å; D518-G520 PolarHBondContact O-N 2.67Å; D518-R521 WeakPolarHBondContact O-CA 3.18Å; D518-R521 VanDerWaalsContact O-CB 3.31Å; D518-R521 WeakPolarHBondContact O-CB 3.41Å; D518-R521 PolarHBondContact O-N 3.49Å; D518-R521 IonicContact OD1-CZ 2.71Å; D518-R521 IonicContact OD1-NE 2.83Å; D518-R521 IonicContact OD1-NH1 2.67Å; D518-R521 PolarHBondContact OD1-NH1 2.78Å; D518-V522 PolarHBondContact O-N 3.05Å; D518-V522 VanDerWaalsContact O-N 3.08Å |
| 519 | L | 84.3 | Confident | 84.2 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.8 | -37.1 | -178.6 | -160.8 | 158.2 | 0 | 0 | 0 | 112.2 | Y270 L291 K515 P516 R521 V522 R523 | Y270-L519 HydrophobicContact CD2-CD1 4.31Å; Y270-L519 HydrophobicContact CE2-CD1 3.67Å; L291-L519 HydrophobicContact CD1-CD2 4.36Å; K515-L519 PolarHBondContact O-N 2.76Å; P516-L519 WeakPolarHBondContact O-CB 3.38Å; P516-L519 PolarHBondContact O-N 2.83Å; L519-R521 VanDerWaalsContact C-N 3.33Å; L519-R521 PolarHBondContact O-N 3.31Å; L519-V522 PolarHBondContact O-N 3.49Å; L519-R523 PolarHBondContact O-N 3.3Å |
| 520 | G | 81.6 | Confident | 83.3 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -35.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | D518 R523 Q524 | D518-G520 VanDerWaalsContact C-N 3.26Å; D518-G520 PolarHBondContact O-N 2.67Å; G520-R523 PolarHBondContact O-N 2.82Å; G520-Q524 WeakPolarHBondContact O-CG 3.37Å; G520-Q524 PolarHBondContact O-N 2.78Å; G520-Q524 VanDerWaalsContact O-N 3.14Å |
| 521 | R | 84.9 | Confident | 82.5 | Confident | 121 Ų | 121 | 54.1 Ų | 54.1 | 46% | 0.457 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70.6 | -38.2 | 174.3 | -62.8 | 168.5 | 166.5 | 167.1 | -10.9 | 111.1 | V486 D518 L519 Q524 L525 | V486-R521 HydrophobicContact CG2-CB 4.15Å; V486-R521 HydrophobicContact CG2-CG 4.44Å; D518-R521 WeakPolarHBondContact O-CA 3.18Å; D518-R521 VanDerWaalsContact O-CB 3.31Å; D518-R521 WeakPolarHBondContact O-CB 3.41Å; D518-R521 PolarHBondContact O-N 3.49Å; D518-R521 IonicContact OD1-CZ 2.71Å; D518-R521 IonicContact OD1-NE 2.83Å; D518-R521 IonicContact OD1-NH1 2.67Å; D518-R521 PolarHBondContact OD1-NH1 2.78Å; L519-R521 VanDerWaalsContact C-N 3.33Å; L519-R521 PolarHBondContact O-N 3.31Å; R521-Q524 PolarHBondContact O-N 3.46Å; R521-L525 PolarHBondContact O-N 3.06Å |
| 522 | V | 85 | Confident | 81.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 174.9 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | I257 P480 L512 C514 D518 L519 L525 I526 | I257-V522 HydrophobicContact CD1-CG1 3.59Å; I257-V522 HydrophobicContact CG1-CG1 4.26Å; P480-V522 HydrophobicContact CB-CG2 3.61Å; P480-V522 HydrophobicContact CG-CG2 3.71Å; L512-V522 HydrophobicContact CD2-CG1 3.53Å; L512-V522 HydrophobicContact CD2-CG2 4.29Å; C514-V522 HydrophobicContact CB-CG2 4.07Å; D518-V522 PolarHBondContact O-N 3.05Å; D518-V522 VanDerWaalsContact O-N 3.08Å; L519-V522 PolarHBondContact O-N 3.49Å; V522-L525 WeakPolarHBondContact O-CB 3.5Å; V522-L525 PolarHBondContact O-N 3.17Å; V522-I526 HydrophobicContact CG1-CD1 3.89Å; V522-I526 WeakPolarHBondContact O-CG1 3.31Å; V522-I526 PolarHBondContact O-N 2.97Å |
| 523 | R | 82.2 | Confident | 81.4 | Confident | 66 Ų | 66 | 58 Ų | 58 | 25% | 0.249 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 174.6 | -151.9 | 179.5 | -146 | 160.5 | 9.4 | 111.3 | L287 S288 L291 L519 G520 I526 M527 | L287-R523 PolarHBondContact O-NE 2.73Å; L287-R523 PolarHBondContact O-NH1 3.36Å; L287-R523 VanDerWaalsContact O-NH1 3.08Å; L287-R523 PolarHBondContact O-NH2 2.85Å; L287-R523 VanDerWaalsContact O-NH2 3.13Å; S288-R523 PolarHBondContact O-NH2 3.49Å; S288-R523 VanDerWaalsContact O-NH2 3.1Å; L291-R523 HydrophobicContact CD1-CG 4.1Å; L519-R523 PolarHBondContact O-N 3.3Å; G520-R523 PolarHBondContact O-N 2.82Å; R523-I526 PolarHBondContact O-N 2.86Å; R523-M527 HydrophobicContact CG-SD 4.03Å; R523-M527 WeakPolarHBondContact O-CB 3.44Å; R523-M527 VanDerWaalsContact O-CG 3.24Å; R523-M527 WeakPolarHBondContact O-CG 3.47Å; R523-M527 PolarHBondContact O-N 3.11Å |
| 524 | Q | 81.2 | Confident | 80.8 | Confident | 123 Ų | 123 | 61.5 Ų | 61.5 | 58% | 0.575 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.9 | -43.6 | 173.5 | -73.2 | 176.9 | -21.6 | 0 | 0 | 112.6 | G520 R521 I526 M527 N528 | G520-Q524 WeakPolarHBondContact O-CG 3.37Å; G520-Q524 PolarHBondContact O-N 2.78Å; G520-Q524 VanDerWaalsContact O-N 3.14Å; R521-Q524 PolarHBondContact O-N 3.46Å; Q524-I526 VanDerWaalsContact C-N 3.33Å; Q524-I526 PolarHBondContact O-N 3.13Å; Q524-M527 PolarHBondContact O-N 3.29Å; Q524-N528 VanDerWaalsContact O-CB 3.29Å; Q524-N528 WeakPolarHBondContact O-CB 3.49Å; Q524-N528 PolarHBondContact O-N 3.14Å; Q524-N528 PolarHBondContact O-ND2 2.72Å; Q524-N528 PolarHBondContact O-OD1 3.11Å |
| 525 | L | 84 | Confident | 80.6 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.8 | -47.2 | 175.6 | 172.7 | 57.2 | 0 | 0 | 0 | 111.7 | V486 L487 F489 R521 V522 | V486-L525 HydrophobicContact CG1-CB 4.47Å; V486-L525 HydrophobicContact CG1-CD2 4.29Å; L487-L525 HydrophobicContact CB-CD2 4.23Å; L487-L525 WeakPolarHBondContact O-CD1 3.44Å; F489-L525 HydrophobicContact CB-CD1 3.99Å; F489-L525 WeakPolarHBondContact CD2-O 3.5Å; R521-L525 PolarHBondContact O-N 3.06Å; V522-L525 WeakPolarHBondContact O-CB 3.5Å; V522-L525 PolarHBondContact O-N 3.17Å |
| 526 | I | 82.6 | Confident | 80.2 | Confident | 25 Ų | 25 | 57.5 Ų | 57.5 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.4 | -42.4 | -179.4 | -66.2 | 161.6 | 0 | 0 | 0 | 111.5 | I257 I272 L291 V522 R523 Q524 | I257-I526 HydrophobicContact CD1-CD1 3.76Å; I272-I526 HydrophobicContact CD1-CD1 3.56Å; I272-I526 HydrophobicContact CD1-CG1 4.31Å; I272-I526 HydrophobicContact CG1-CD1 4.05Å; I272-I526 HydrophobicContact CG2-CG2 4.1Å; L291-I526 HydrophobicContact CD2-CD1 4.43Å; V522-I526 HydrophobicContact CG1-CD1 3.89Å; V522-I526 WeakPolarHBondContact O-CG1 3.31Å; V522-I526 PolarHBondContact O-N 2.97Å; R523-I526 PolarHBondContact O-N 2.86Å; Q524-I526 VanDerWaalsContact C-N 3.33Å; Q524-I526 PolarHBondContact O-N 3.13Å |
| 527 | M | 76.9 | Confident | 79.8 | Confident | 87 Ų | 87 | 54.3 Ų | 54.3 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.2 | -33.2 | -178.1 | -71.3 | 176.3 | 72.6 | 0 | 0 | 113.5 | F290 R523 Q524 G529 | F290-M527 HydrophobicContact CD2-CE 4.39Å; F290-M527 HydrophobicContact CD2-CG 4.07Å; F290-M527 HydrophobicContact CD2-SD 4.4Å; F290-M527 HydrophobicContact CE2-CE 4.27Å; F290-M527 HydrophobicContact CE2-CG 4.36Å; F290-M527 HydrophobicContact CG-CG 4.41Å; R523-M527 HydrophobicContact CG-SD 4.03Å; R523-M527 WeakPolarHBondContact O-CB 3.44Å; R523-M527 VanDerWaalsContact O-CG 3.24Å; R523-M527 WeakPolarHBondContact O-CG 3.47Å; R523-M527 PolarHBondContact O-N 3.11Å; Q524-M527 PolarHBondContact O-N 3.29Å; M527-G529 VanDerWaalsContact C-N 3.33Å; M527-G529 PolarHBondContact O-N 2.72Å |
| 528 | N | 71.6 | Confident | 79.1 | Confident | 127 Ų | 127 | 48.6 Ų | 48.6 | 68% | 0.679 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -74 | -21.7 | -177.2 | -70.3 | -6.7 | 0 | 0 | 0 | 113.5 | Q524 | Q524-N528 VanDerWaalsContact O-CB 3.29Å; Q524-N528 WeakPolarHBondContact O-CB 3.49Å; Q524-N528 PolarHBondContact O-N 3.14Å; Q524-N528 PolarHBondContact O-ND2 2.72Å; Q524-N528 PolarHBondContact O-OD1 3.11Å |
| 529 | G | 73 | Confident | 77.6 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 24% | 0.237 | 27% | 0.272 | C | S | . | . | trans | 65.1 | -162.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F489 M527 | F489-G529 WeakPolarHBondContact CB-O 3.37Å; F489-G529 VanDerWaalsContact CD1-C 3.42Å; F489-G529 WeakPolarHBondContact CG-O 3.47Å; M527-G529 VanDerWaalsContact C-N 3.33Å; M527-G529 PolarHBondContact O-N 2.72Å | ||
| 530 | M | 73.5 | Confident | 75.8 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 12% | 0.118 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -73.8 | 135.2 | 166.1 | -97.2 | -137.2 | -79.7 | 0 | 0 | 109.5 | A227 T228 L229 F489 L490 | A227-M530 HydrophobicContact CB-CE 4.17Å; T228-M530 VanDerWaalsContact O-CE 3.23Å; T228-M530 WeakPolarHBondContact O-CE 3.09Å; L229-M530 HydrophobicContact CD2-CE 3.63Å; L229-M530 HydrophobicContact CD2-SD 4.11Å; L229-M530 HydrophobicContact CG-CE 3.92Å; F489-M530 HydrophobicContact CD1-CB 4.14Å; F489-M530 HydrophobicContact CD1-CG 3.68Å; F489-M530 VanDerWaalsContact CD1-N 3.27Å; F489-M530 HydrophobicContact CE1-CG 4.31Å; L490-M530 HydrophobicContact CB-CG 4.32Å; L490-M530 HydrophobicContact CB-SD 3.91Å; L490-M530 HydrophobicContact CD1-CE 4.37Å; L490-M530 HydrophobicContact CD1-SD 3.86Å; L490-M530 HydrophobicContact CD2-SD 4.46Å; L490-M530 HydrophobicContact CG-SD 4.28Å |
| 531 | P | 74.8 | Confident | 73.7 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 58% | 0.584 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 155 | 170.3 | 30.2 | -34.8 | 0 | 0 | 0 | 110.8 | ||
| 532 | P | 78.4 | Confident | 71.7 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 138.3 | 169.6 | 28.5 | -33.9 | 0 | 0 | 0 | 110.7 | P230 N231 N534 | P230-P532 HydrophobicContact CG-CB 4.24Å; N231-P532 HydrophobicContact CB-CB 4.23Å; N231-P532 WeakPolarHBondContact OD1-CA 3.08Å; P532-N534 PolarHBondContact O-ND2 3Å |
| 533 | V | 81.5 | Confident | 69.7 | Low | 13 Ų | 13 | 57.5 Ų | 57.5 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 128.1 | 175.3 | 162.9 | 0 | 0 | 0 | 0 | 109.3 | I163 L229 N231 L235 L601 | I163-V533 HydrophobicContact CG2-CG1 3.46Å; I163-V533 VanDerWaalsContact CG2-CG1 3.46Å; L229-V533 HydrophobicContact CD1-CG2 4.37Å; L229-V533 HydrophobicContact CD2-CG2 3.49Å; L229-V533 VanDerWaalsContact CD2-CG2 3.49Å; N231-V533 PolarHBondContact ND2-N 3.18Å; N231-V533 PolarHBondContact ND2-O 2.94Å; N231-V533 PolarHBondContact OD1-N 2.7Å; L235-V533 HydrophobicContact CD1-CG1 4.47Å; L235-V533 HydrophobicContact CD2-CG1 4.36Å; V533-L601 HydrophobicContact CG1-CD2 4.25Å |
| 534 | N | 78.2 | Confident | 68.3 | Low | 78 Ų | 78 | 55.1 Ų | 55.1 | 42% | 0.417 | 33% | 0.328 | S | S | . | . | trans | -113.8 | 161.9 | 175.6 | -54.9 | -88.2 | 0 | 0 | 0 | 109.2 | P532 | P532-N534 PolarHBondContact O-ND2 3Š| ||
| 535 | S | 82.3 | Confident | 67.3 | Low | 12 Ų | 12 | 53.2 Ų | 53.2 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | trans | -59.7 | 144 | 171.4 | 172.3 | 0 | 0 | 0 | 0 | 112.2 | E173 L537 | E173-S535 WeakPolarHBondContact OE1-CB 3.49Å; E173-S535 PolarHBondContact OE1-OG 3.31Å; E173-S535 WeakPolarHBondContact OE2-CA 3.34Å; E173-S535 WeakPolarHBondContact OE2-CB 3.37Å; E173-S535 PolarHBondContact OE2-OG 3.47Å; S535-L537 PolarHBondContact OG-N 3.21Å | ||
| 536 | C | 77.3 | Confident | 66.4 | Low | 15 Ų | 15 | 54.4 Ų | 54.4 | 10% | 0.101 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -99.3 | 22 | 175.6 | -66.3 | 0 | 0 | 0 | 0 | 112.9 | I163 G164 Y170 E173 S547 | I163-C536 PolarHBondContact O-SG 3.05Å; G164-C536 VanDerWaalsContact C-SG 3.51Å; Y170-C536 WeakPolarHBondContact CB-O 3.48Å; E173-C536 PolarHBondContact OE2-N 2.6Å; C536-S547 PolarHBondContact O-OG 3.47Å |
| 537 | L | 74.6 | Confident | 65.8 | Low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -90.7 | -9.2 | 176.2 | -59.2 | 179.4 | 0 | 0 | 0 | 113.7 | E173 L174 S535 L548 T600 | E173-L537 WeakPolarHBondContact OE1-CD1 3.11Å; L174-L537 HydrophobicContact CD2-CD2 3.97Å; L174-L537 HydrophobicContact CG-CD2 4.32Å; S535-L537 PolarHBondContact OG-N 3.21Å; L537-L548 HydrophobicContact CB-CD1 4.48Å; L537-L548 HydrophobicContact CD1-CD1 4.48Å; L537-T600 HydrophobicContact CD1-CG2 3.6Å |
| 538 | M | 67.4 | Low | 65.7 | Low | 48 Ų | 48 | 49.4 Ų | 49.4 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -128.5 | 114.3 | -178.4 | -75.6 | -79 | -78.1 | 0 | 0 | 110.6 | G542 L602 L611 L658 | M538-G542 WeakPolarHBondContact CE-O 3.25Å; M538-L602 HydrophobicContact CB-CD1 4.29Å; M538-L602 HydrophobicContact CG-CD1 3.72Å; M538-L602 HydrophobicContact CG-CD2 3.81Å; M538-L602 HydrophobicContact CG-CG 4.45Å; M538-L611 HydrophobicContact CE-CD2 4.45Å; M538-L658 HydrophobicContact SD-CD2 4.3Å |
| 539 | G | 54.8 | Low | 66 | Low | 17 Ų | 17 | 45.2 Ų | 45.2 | 18% | 0.175 | 28% | 0.28 | C | S | . | . | trans | -72.5 | 164.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G541 G542 E545 | G539-G541 PolarHBondContact O-N 2.79Å; G539-G542 PolarHBondContact O-N 3.47Å; G539-E545 VanDerWaalsContact CA-OE2 3.31Å; G539-E545 WeakPolarHBondContact CA-OE2 3.48Å; G539-E545 PolarHBondContact N-OE2 3.21Å | ||
| 540 | H | 45 | Very low | 66.2 | Low | 209 Ų | 209 | 44.6 Ų | 44.6 | 97% | 0.968 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 100.1 | 173.1 | -82.9 | -14.6 | 0 | 0 | 0 | 111.2 | ||
| 541 | G | 39.6 | Very low | 66.1 | Low | 69 Ų | 69 | 43.4 Ų | 43.4 | 71% | 0.711 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.3 | -2.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G539 S543 F614 | G539-G541 PolarHBondContact O-N 2.79Å; G541-S543 VanDerWaalsContact C-N 3.26Å; G541-S543 PolarHBondContact O-N 2.95Å; G541-F614 WeakPolarHBondContact O-CE2 3.49Å |
| 542 | G | 41.7 | Very low | 66.1 | Low | 18 Ų | 18 | 39.4 Ų | 39.4 | 19% | 0.186 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 78.3 | -3.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | M538 G539 F614 | M538-G542 WeakPolarHBondContact CE-O 3.25Å; G539-G542 PolarHBondContact O-N 3.47Å; G542-F614 WeakPolarHBondContact O-CE2 3.38Å; G542-F614 WeakPolarHBondContact O-CZ 3.47Å |
| 543 | S | 43.1 | Very low | 65.9 | Low | 77 Ų | 77 | 36.2 Ų | 36.2 | 54% | 0.538 | 22% | 0.218 | S | C | . | . | trans | -64.9 | 138.8 | 173.7 | -168.2 | 0 | 0 | 0 | 0 | 111 | G541 E545 | G541-S543 VanDerWaalsContact C-N 3.26Å; G541-S543 PolarHBondContact O-N 2.95Å; S543-E545 PolarHBondContact O-N 3.01Å | ||
| 544 | P | 53 | Low | 65.5 | Low | 17 Ų | 17 | 36 Ų | 36 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -62.3 | 104.3 | 175.7 | 23.5 | -32.8 | 0 | 0 | 0 | 110.9 | L548 K549 L658 T661 | P544-L548 HydrophobicContact CB-CD2 4.3Å; P544-K549 WeakPolarHBondContact O-CE 3.18Å; P544-L658 HydrophobicContact CB-CD1 4.01Å; P544-L658 HydrophobicContact CG-CD1 4.49Å; P544-T661 HydrophobicContact CG-CG2 4.46Å |
| 545 | E | 60.9 | Low | 65 | Low | 82 Ų | 82 | 32.4 Ų | 32.4 | 38% | 0.383 | 20% | 0.197 | S | C | . | . | trans | -73.5 | 165.4 | -172.2 | -165 | 158.4 | -130.9 | 0 | 0 | 111.8 | G539 S543 S547 L548 K549 | G539-E545 VanDerWaalsContact CA-OE2 3.31Å; G539-E545 WeakPolarHBondContact CA-OE2 3.48Å; G539-E545 PolarHBondContact N-OE2 3.21Å; S543-E545 PolarHBondContact O-N 3.01Å; E545-S547 PolarHBondContact O-N 2.89Å; E545-L548 PolarHBondContact O-N 2.83Å; E545-K549 PolarHBondContact O-N 3.1Å | ||
| 546 | S | 64.1 | Low | 64.2 | Low | 41 Ų | 41 | 32 Ų | 32 | 29% | 0.287 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.3 | -25.9 | 178.6 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | R550 | S546-R550 VanDerWaalsContact O-CB 3.25Å; S546-R550 WeakPolarHBondContact O-CB 3.39Å; S546-R550 PolarHBondContact O-N 2.72Å |
| 547 | S | 71 | Confident | 63.5 | Low | 5 Ų | 5 | 31.4 Ų | 31.4 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 174.8 | -46.2 | 0 | 0 | 0 | 0 | 112.4 | C536 E545 R550 A551 | C536-S547 PolarHBondContact O-OG 3.47Å; E545-S547 PolarHBondContact O-N 2.89Å; S547-R550 WeakPolarHBondContact O-CB 3.35Å; S547-A551 PolarHBondContact O-N 2.92Å |
| 548 | L | 74.8 | Confident | 63 | Low | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.9 | -38.8 | -179.7 | -174.5 | 62.8 | 0 | 0 | 0 | 112.3 | L537 P544 E545 R550 A551 L552 L597 L658 | L537-L548 HydrophobicContact CB-CD1 4.48Å; L537-L548 HydrophobicContact CD1-CD1 4.48Å; P544-L548 HydrophobicContact CB-CD2 4.3Å; E545-L548 PolarHBondContact O-N 2.83Å; L548-R550 VanDerWaalsContact C-N 3.28Å; L548-R550 PolarHBondContact O-N 2.88Å; L548-A551 HydrophobicContact CD1-CB 4.45Å; L548-A551 VanDerWaalsContact O-CB 3.24Å; L548-A551 WeakPolarHBondContact O-CB 3.31Å; L548-A551 PolarHBondContact O-N 2.97Å; L548-L552 PolarHBondContact O-N 3.37Å; L548-L552 VanDerWaalsContact O-N 3.15Å; L548-L597 HydrophobicContact CD1-CD2 3.8Å; L548-L658 HydrophobicContact CD2-CD1 4.08Å; L548-L658 HydrophobicContact CD2-CD2 3.68Å; L548-L658 HydrophobicContact CD2-CG 3.74Å |
| 549 | K | 76.4 | Confident | 62.8 | Low | 40 Ų | 40 | 31.1 Ų | 31.1 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64 | -36.3 | 174 | -60.4 | -176.9 | -171 | 179.4 | 0 | 111.3 | P544 E545 L553 C662 D665 L666 P722 | P544-K549 WeakPolarHBondContact O-CE 3.18Å; E545-K549 PolarHBondContact O-N 3.1Å; K549-L553 PolarHBondContact O-N 2.68Å; K549-C662 HydrophobicContact CG-CB 4.46Å; K549-D665 IonicContact NZ-OD2 3.45Å; K549-D665 PolarHBondContact NZ-OD2 2.72Å; K549-L666 HydrophobicContact CB-CD2 4.37Å; K549-P722 HydrophobicContact CB-CG 4.4Å |
| 550 | R | 76.9 | Confident | 63 | Low | 9 Ų | 9 | 32.8 Ų | 32.8 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -52 | 169.3 | -177.9 | -173.3 | 177 | 127.2 | 8.7 | 110.8 | N137 L174 S546 S547 L548 L552 L553 E554 S719 L720 P722 | N137-R550 PolarHBondContact ND2-NH2 3.11Å; L174-R550 HydrophobicContact CD1-CG 4.29Å; S546-R550 VanDerWaalsContact O-CB 3.25Å; S546-R550 WeakPolarHBondContact O-CB 3.39Å; S546-R550 PolarHBondContact O-N 2.72Å; S547-R550 WeakPolarHBondContact O-CB 3.35Å; L548-R550 VanDerWaalsContact C-N 3.28Å; L548-R550 PolarHBondContact O-N 2.88Å; R550-L552 VanDerWaalsContact C-N 3.28Å; R550-L552 PolarHBondContact O-N 2.72Å; R550-L553 WeakPolarHBondContact O-CB 3.48Å; R550-L553 PolarHBondContact O-N 2.83Å; R550-E554 HydrophobicContact CG-CG 4.18Å; R550-E554 IonicContact CZ-OE1 3.91Å; R550-E554 IonicContact NE-OE1 3.18Å; R550-E554 PolarHBondContact NE-OE1 3.24Å; R550-E554 IonicContact NH2-OE1 2.84Å; R550-E554 PolarHBondContact NH2-OE1 2.92Å; R550-E554 WeakPolarHBondContact O-CG 3.48Å; R550-E554 PolarHBondContact O-N 3.41Å; R550-S719 PolarHBondContact NH1-O 3.42Å; R550-S719 PolarHBondContact NH2-O 2.96Å; R550-L720 PolarHBondContact NH1-O 3.22Å; R550-P722 HydrophobicContact CB-CG 4.39Å |
| 551 | A | 73.3 | Confident | 63.6 | Low | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -46.6 | -52.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L174 S547 L548 L553 E554 V555 Y596 | L174-A551 HydrophobicContact CD2-CB 3.32Å; S547-A551 PolarHBondContact O-N 2.92Å; L548-A551 HydrophobicContact CD1-CB 4.45Å; L548-A551 VanDerWaalsContact O-CB 3.24Å; L548-A551 WeakPolarHBondContact O-CB 3.31Å; L548-A551 PolarHBondContact O-N 2.97Å; A551-L553 PolarHBondContact O-N 2.65Å; A551-E554 PolarHBondContact O-N 3.11Å; A551-V555 PolarHBondContact O-N 3.44Å; A551-Y596 HydrophobicContact CB-CE1 4.12Å |
| 552 | L | 73.9 | Confident | 64.4 | Low | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.1 | -31.5 | -177.2 | -66.6 | 169.4 | 0 | 0 | 0 | 113 | L548 R550 V555 C556 L597 L659 C662 L666 | L548-L552 PolarHBondContact O-N 3.37Å; L548-L552 VanDerWaalsContact O-N 3.15Å; R550-L552 VanDerWaalsContact C-N 3.28Å; R550-L552 PolarHBondContact O-N 2.72Å; L552-V555 PolarHBondContact O-N 3.15Å; L552-C556 PolarHBondContact O-N 3.15Å; L552-C556 VanDerWaalsContact O-N 3.12Å; L552-C556 PolarHBondContact O-SG 3.08Å; L552-L597 HydrophobicContact CD2-CD1 4.22Å; L552-L597 HydrophobicContact CD2-CD2 4.1Å; L552-L597 HydrophobicContact CD2-CG 4.08Å; L552-L659 HydrophobicContact CD1-CD1 3.85Å; L552-L659 HydrophobicContact CD2-CD1 3.48Å; L552-L659 VanDerWaalsContact CD2-CD1 3.48Å; L552-L659 HydrophobicContact CG-CD1 4.29Å; L552-C662 HydrophobicContact CD1-CB 3.37Å; L552-L666 HydrophobicContact CB-CD1 4.13Å |
| 553 | L | 74.7 | Confident | 65.1 | Low | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 171.3 | -176.1 | 58 | 0 | 0 | 0 | 111.9 | K549 R550 A551 V555 C556 I557 L666 F671 I672 V715 P722 | K549-L553 PolarHBondContact O-N 2.68Å; R550-L553 WeakPolarHBondContact O-CB 3.48Å; R550-L553 PolarHBondContact O-N 2.83Å; A551-L553 PolarHBondContact O-N 2.65Å; L553-V555 PolarHBondContact O-N 2.88Å; L553-C556 PolarHBondContact O-N 3.38Å; L553-I557 HydrophobicContact CD1-CD1 4.05Å; L553-I557 HydrophobicContact CG-CD1 4.07Å; L553-I557 WeakPolarHBondContact O-CD1 3.29Å; L553-I557 WeakPolarHBondContact O-CG1 3.46Å; L553-I557 PolarHBondContact O-N 3.39Å; L553-L666 HydrophobicContact CB-CD1 4.38Å; L553-L666 HydrophobicContact CB-CD2 4.36Å; L553-F671 HydrophobicContact CD1-CB 3.96Å; L553-F671 HydrophobicContact CD2-CB 4.31Å; L553-F671 HydrophobicContact CD2-CD1 4.11Å; L553-F671 HydrophobicContact CD2-CG 4.26Å; L553-I672 HydrophobicContact CD1-CG2 3.85Å; L553-V715 HydrophobicContact CD2-CB 4.25Å; L553-V715 HydrophobicContact CD2-CG1 4.03Å; L553-P722 HydrophobicContact CD2-CG 4.35Å |
| 554 | E | 72.1 | Confident | 65.6 | Low | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.6 | -35 | 175.8 | -39 | -147.5 | 144.9 | 0 | 0 | 111 | K178 R550 A551 Y558 L716 | K178-E554 WeakPolarHBondContact CE-OE2 3.31Å; K178-E554 IonicContact NZ-OE2 2.69Å; K178-E554 PolarHBondContact NZ-OE2 3.43Å; R550-E554 HydrophobicContact CG-CG 4.18Å; R550-E554 IonicContact CZ-OE1 3.91Å; R550-E554 IonicContact NE-OE1 3.18Å; R550-E554 PolarHBondContact NE-OE1 3.24Å; R550-E554 IonicContact NH2-OE1 2.84Å; R550-E554 PolarHBondContact NH2-OE1 2.92Å; R550-E554 WeakPolarHBondContact O-CG 3.48Å; R550-E554 PolarHBondContact O-N 3.41Å; A551-E554 PolarHBondContact O-N 3.11Å; E554-Y558 PolarHBondContact O-N 3.44Å; E554-L716 HydrophobicContact CB-CD1 3.59Å; E554-L716 VanDerWaalsContact CD-CD1 3.5Å; E554-L716 HydrophobicContact CG-CD1 3.38Å; E554-L716 WeakPolarHBondContact OE1-CD1 3.48Å |
| 555 | V | 67.6 | Low | 65.6 | Low | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.4 | -48.7 | 176.8 | -179.5 | 0 | 0 | 0 | 0 | 113.3 | A551 L552 L553 I557 Y558 I559 Y596 | A551-V555 PolarHBondContact O-N 3.44Å; L552-V555 PolarHBondContact O-N 3.15Å; L553-V555 PolarHBondContact O-N 2.88Å; V555-I557 PolarHBondContact O-N 3.18Å; V555-I557 VanDerWaalsContact O-N 3.15Å; V555-Y558 WeakPolarHBondContact O-CB 3.36Å; V555-Y558 PolarHBondContact O-N 2.95Å; V555-Y558 VanDerWaalsContact O-N 3.12Å; V555-I559 HydrophobicContact CG1-CD1 3.79Å; V555-I559 HydrophobicContact CG1-CG1 4.36Å; V555-I559 WeakPolarHBondContact O-CG1 3.38Å; V555-I559 PolarHBondContact O-N 3.34Å; V555-Y596 HydrophobicContact CG2-CD1 3.33Å; V555-Y596 HydrophobicContact CG2-CD2 3.37Å; V555-Y596 HydrophobicContact CG2-CE1 3.67Å; V555-Y596 HydrophobicContact CG2-CE2 3.69Å; V555-Y596 HydrophobicContact CG2-CG 3.16Å |
| 556 | C | 66.7 | Low | 65.3 | Low | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.027 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.1 | -30.5 | -178.2 | -65.2 | 0 | 0 | 0 | 0 | 112 | L552 L553 Y560 I672 L706 | L552-C556 PolarHBondContact O-N 3.15Å; L552-C556 VanDerWaalsContact O-N 3.12Å; L552-C556 PolarHBondContact O-SG 3.08Å; L553-C556 PolarHBondContact O-N 3.38Å; C556-Y560 WeakPolarHBondContact O-CB 3.14Å; C556-Y560 PolarHBondContact O-N 2.89Å; C556-I672 HydrophobicContact CB-CG2 3.89Å; C556-L706 HydrophobicContact CB-CB 4.49Å |
| 557 | I | 62.9 | Low | 64.9 | Low | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -77.8 | -41.2 | 177.2 | -62.8 | 159.9 | 0 | 0 | 0 | 111.6 | L553 V555 I559 Y560 I561 P708 G712 R713 L716 | L553-I557 HydrophobicContact CD1-CD1 4.05Å; L553-I557 HydrophobicContact CG-CD1 4.07Å; L553-I557 WeakPolarHBondContact O-CD1 3.29Å; L553-I557 WeakPolarHBondContact O-CG1 3.46Å; L553-I557 PolarHBondContact O-N 3.39Å; V555-I557 PolarHBondContact O-N 3.18Å; V555-I557 VanDerWaalsContact O-N 3.15Å; I557-I559 VanDerWaalsContact C-N 3.32Å; I557-I559 PolarHBondContact O-N 3.31Å; I557-Y560 PolarHBondContact O-N 3.02Å; I557-I561 HydrophobicContact CG2-CD1 3.72Å; I557-I561 HydrophobicContact CG2-CG1 4.26Å; I557-I561 WeakPolarHBondContact O-CG1 3.13Å; I557-I561 PolarHBondContact O-N 3.45Å; I557-P708 HydrophobicContact CB-CG 4.34Å; I557-P708 HydrophobicContact CD1-CB 4.26Å; I557-P708 HydrophobicContact CG1-CB 3.39Å; I557-P708 HydrophobicContact CG1-CG 3.68Å; I557-G712 WeakPolarHBondContact CD1-O 3.18Å; I557-R713 HydrophobicContact CG1-CG 4.34Å; I557-R713 HydrophobicContact CG2-CG 4.42Å; I557-L716 HydrophobicContact CB-CD2 3.75Å; I557-L716 HydrophobicContact CD1-CB 3.42Å; I557-L716 VanDerWaalsContact CD1-CB 3.42Å; I557-L716 HydrophobicContact CD1-CD2 3.56Å; I557-L716 HydrophobicContact CD1-CG 4.05Å; I557-L716 HydrophobicContact CG1-CD2 4.24Å; I557-L716 HydrophobicContact CG2-CD2 3.66Å |
| 558 | Y | 63.7 | Low | 64 | Low | 29 Ų | 29 | 39 Ų | 39 | 11% | 0.114 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.2 | -48.7 | 172.9 | -177.9 | -77.8 | 0 | 0 | 0 | 111.5 | I144 F181 Y182 E554 V555 Y562 | I144-Y558 HydrophobicContact CD1-CD2 4.42Å; I144-Y558 HydrophobicContact CG1-CD2 4.38Å; I144-Y558 HydrophobicContact CG1-CE2 4.48Å; I144-Y558 HydrophobicContact CG2-CD2 3.63Å; I144-Y558 HydrophobicContact CG2-CE2 4.27Å; F181-Y558 AromaticContact CE1-CD1 3.97Å; F181-Y558 HydrophobicContact CE1-CD1 3.97Å; F181-Y558 HydrophobicContact CE1-CE1 4.04Å; F181-Y558 HydrophobicContact CE1-CG 4.49Å; Y182-Y558 HydrophobicContact CD2-CE2 4.38Å; Y182-Y558 WeakPolarHBondContact CD2-OH 3.12Å; E554-Y558 PolarHBondContact O-N 3.44Å; V555-Y558 WeakPolarHBondContact O-CB 3.36Å; V555-Y558 PolarHBondContact O-N 2.95Å; V555-Y558 VanDerWaalsContact O-N 3.12Å; Y558-Y562 WeakPolarHBondContact O-CB 3.4Å; Y558-Y562 PolarHBondContact O-N 3.44Å |
| 559 | I | 62.3 | Low | 63 | Low | 13 Ų | 13 | 43.1 Ų | 43.1 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | -179.5 | -64.6 | 169.5 | 0 | 0 | 0 | 110.8 | V555 I557 Y562 I563 D592 | V555-I559 HydrophobicContact CG1-CD1 3.79Å; V555-I559 HydrophobicContact CG1-CG1 4.36Å; V555-I559 WeakPolarHBondContact O-CG1 3.38Å; V555-I559 PolarHBondContact O-N 3.34Å; I557-I559 VanDerWaalsContact C-N 3.32Å; I557-I559 PolarHBondContact O-N 3.31Å; I559-Y562 PolarHBondContact O-N 3.24Å; I559-I563 HydrophobicContact CG2-CD1 3.81Å; I559-I563 VanDerWaalsContact O-CG1 3.31Å; I559-I563 WeakPolarHBondContact O-CG1 3.4Å; I559-I563 PolarHBondContact O-N 2.81Å; I559-D592 HydrophobicContact CD1-CB 3.89Å |
| 560 | Y | 59.3 | Low | 61.8 | Low | 52 Ų | 52 | 45 Ų | 45 | 20% | 0.204 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -45 | -179.4 | 173.9 | -98.2 | 0 | 0 | 0 | 113.6 | C556 I557 I563 Y564 Q707 P708 | C556-Y560 WeakPolarHBondContact O-CB 3.14Å; C556-Y560 PolarHBondContact O-N 2.89Å; I557-Y560 PolarHBondContact O-N 3.02Å; Y560-I563 PolarHBondContact O-N 2.94Å; Y560-Y564 PolarHBondContact O-N 3.46Å; Y560-Q707 HydrophobicContact CD2-CB 3.99Å; Y560-Q707 HydrophobicContact CD2-CG 3.97Å; Y560-Q707 HydrophobicContact CE2-CB 4.47Å; Y560-P708 HydrophobicContact CD1-CG 3.87Å; Y560-P708 VanDerWaalsContact CG-CD 3.41Å; Y560-P708 HydrophobicContact CG-CG 3.84Å |
| 561 | I | 57.3 | Low | 61 | Low | 32 Ų | 32 | 49.2 Ų | 49.2 | 16% | 0.164 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 178.7 | -71 | 176.4 | 0 | 0 | 0 | 109.3 | E145 I557 I563 Y564 I565 | E145-I561 HydrophobicContact CB-CD1 4.45Å; E145-I561 HydrophobicContact CG-CD1 4.02Å; I557-I561 HydrophobicContact CG2-CD1 3.72Å; I557-I561 HydrophobicContact CG2-CG1 4.26Å; I557-I561 WeakPolarHBondContact O-CG1 3.13Å; I557-I561 PolarHBondContact O-N 3.45Å; I561-I563 VanDerWaalsContact C-N 3.28Å; I561-I563 PolarHBondContact O-N 2.86Å; I561-Y564 PolarHBondContact O-N 2.75Å; I561-Y564 VanDerWaalsContact O-N 3.1Å; I561-I565 HydrophobicContact CG2-CD1 3.54Å; I561-I565 HydrophobicContact CG2-CG1 4.47Å; I561-I565 VanDerWaalsContact O-CD1 3.29Å; I561-I565 WeakPolarHBondContact O-CD1 3.32Å; I561-I565 VanDerWaalsContact O-CG1 3.28Å; I561-I565 WeakPolarHBondContact O-CG1 3.3Å; I561-I565 PolarHBondContact O-N 3.01Å |
| 562 | Y | 57.3 | Low | 60 | Low | 98 Ų | 98 | 53 Ų | 53 | 38% | 0.384 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.2 | -35.4 | 178 | -159.3 | -88.5 | 0 | 0 | 0 | 113.2 | Y558 I559 Y566 | Y558-Y562 WeakPolarHBondContact O-CB 3.4Å; Y558-Y562 PolarHBondContact O-N 3.44Å; I559-Y562 PolarHBondContact O-N 3.24Å; Y562-Y566 VanDerWaalsContact O-CB 3.26Å; Y562-Y566 WeakPolarHBondContact O-CB 3.37Å; Y562-Y566 PolarHBondContact O-N 3.43Å |
| 563 | I | 56.1 | Low | 58.9 | Low | 32 Ų | 32 | 56.2 Ų | 56.2 | 16% | 0.164 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -45.8 | 174 | -72.1 | 167.1 | 0 | 0 | 0 | 111.5 | I559 Y560 I561 I565 Y566 I567 | I559-I563 HydrophobicContact CG2-CD1 3.81Å; I559-I563 VanDerWaalsContact O-CG1 3.31Å; I559-I563 WeakPolarHBondContact O-CG1 3.4Å; I559-I563 PolarHBondContact O-N 2.81Å; Y560-I563 PolarHBondContact O-N 2.94Å; I561-I563 VanDerWaalsContact C-N 3.28Å; I561-I563 PolarHBondContact O-N 2.86Å; I563-I565 VanDerWaalsContact C-N 3.31Å; I563-I565 PolarHBondContact O-N 3.13Å; I563-Y566 PolarHBondContact O-N 2.98Å; I563-I567 HydrophobicContact CG2-CD1 3.75Å; I563-I567 HydrophobicContact CG2-CG1 4.47Å; I563-I567 WeakPolarHBondContact O-CB 3.27Å; I563-I567 VanDerWaalsContact O-CG1 3.32Å; I563-I567 WeakPolarHBondContact O-CG1 3.22Å; I563-I567 PolarHBondContact O-N 2.63Å |
| 564 | Y | 54.2 | Low | 57.7 | Low | 147 Ų | 147 | 64.5 Ų | 64.5 | 58% | 0.576 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | -179.7 | -164.2 | -90.9 | 0 | 0 | 0 | 111.1 | Y560 I561 I567 Y568 | Y560-Y564 PolarHBondContact O-N 3.46Å; I561-Y564 PolarHBondContact O-N 2.75Å; I561-Y564 VanDerWaalsContact O-N 3.1Å; Y564-I567 PolarHBondContact O-N 3.16Å; Y564-Y568 WeakPolarHBondContact O-CB 3.44Å; Y564-Y568 PolarHBondContact O-N 3.36Å |
| 565 | I | 52.4 | Low | 56.8 | Low | 27 Ų | 27 | 69.9 Ų | 69.9 | 14% | 0.138 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -49 | 174.3 | -62.4 | 154.9 | 0 | 0 | 0 | 111 | E147 I561 I563 I567 Y568 I569 | E147-I565 HydrophobicContact CG-CD1 3.36Å; E147-I565 HydrophobicContact CG-CG1 4.28Å; E147-I565 WeakPolarHBondContact OE1-CD1 3.31Å; E147-I565 WeakPolarHBondContact OE1-CG1 3.46Å; E147-I565 WeakPolarHBondContact OE2-CG2 3.44Å; I561-I565 HydrophobicContact CG2-CD1 3.54Å; I561-I565 HydrophobicContact CG2-CG1 4.47Å; I561-I565 VanDerWaalsContact O-CD1 3.29Å; I561-I565 WeakPolarHBondContact O-CD1 3.32Å; I561-I565 VanDerWaalsContact O-CG1 3.28Å; I561-I565 WeakPolarHBondContact O-CG1 3.3Å; I561-I565 PolarHBondContact O-N 3.01Å; I563-I565 VanDerWaalsContact C-N 3.31Å; I563-I565 PolarHBondContact O-N 3.13Å; I565-I567 PolarHBondContact O-N 2.89Å; I565-Y568 PolarHBondContact O-N 2.83Å; I565-I569 HydrophobicContact CG2-CD1 3.62Å; I565-I569 HydrophobicContact CG2-CG1 4.12Å; I565-I569 WeakPolarHBondContact O-CB 3.31Å; I565-I569 WeakPolarHBondContact O-CG1 3.33Å; I565-I569 PolarHBondContact O-N 3.4Å |
| 566 | Y | 54.6 | Low | 55.9 | Low | 89 Ų | 89 | 75.6 Ų | 75.6 | 35% | 0.349 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -33.2 | -179.4 | -171.7 | -111.2 | 0 | 0 | 0 | 111.9 | Y562 I563 L570 | Y562-Y566 VanDerWaalsContact O-CB 3.26Å; Y562-Y566 WeakPolarHBondContact O-CB 3.37Å; Y562-Y566 PolarHBondContact O-N 3.43Å; I563-Y566 PolarHBondContact O-N 2.98Å; Y566-L570 HydrophobicContact CD1-CD1 3.77Å; Y566-L570 HydrophobicContact CD1-CG 4.48Å; Y566-L570 HydrophobicContact CE1-CD1 3.51Å; Y566-L570 HydrophobicContact CE1-CG 4.23Å; Y566-L570 WeakPolarHBondContact O-CB 3.43Å; Y566-L570 VanDerWaalsContact O-CG 3.27Å; Y566-L570 WeakPolarHBondContact O-CG 3.45Å; Y566-L570 PolarHBondContact O-N 2.99Å |
| 567 | I | 55.9 | Low | 54.6 | Low | 84 Ų | 84 | 81.1 Ų | 81.1 | 43% | 0.431 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 170.7 | -69.7 | 168.8 | 0 | 0 | 0 | 111.3 | I563 Y564 I565 L570 I571 | I563-I567 HydrophobicContact CG2-CD1 3.75Å; I563-I567 HydrophobicContact CG2-CG1 4.47Å; I563-I567 WeakPolarHBondContact O-CB 3.27Å; I563-I567 VanDerWaalsContact O-CG1 3.32Å; I563-I567 WeakPolarHBondContact O-CG1 3.22Å; I563-I567 PolarHBondContact O-N 2.63Å; Y564-I567 PolarHBondContact O-N 3.16Å; I565-I567 PolarHBondContact O-N 2.89Å; I567-L570 WeakPolarHBondContact O-CB 3.33Å; I567-L570 PolarHBondContact O-N 2.94Å; I567-I571 HydrophobicContact CG2-CD1 3.9Å; I567-I571 VanDerWaalsContact O-CG1 3.28Å; I567-I571 WeakPolarHBondContact O-CG1 3.49Å; I567-I571 PolarHBondContact O-N 3.34Å |
| 568 | Y | 51.6 | Low | 53.1 | Low | 141 Ų | 141 | 89.8 Ų | 89.8 | 55% | 0.553 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.5 | -43 | 179.8 | -157.7 | -103.9 | 0 | 0 | 0 | 112.2 | Y564 I565 I571 I572 | Y564-Y568 WeakPolarHBondContact O-CB 3.44Å; Y564-Y568 PolarHBondContact O-N 3.36Å; I565-Y568 PolarHBondContact O-N 2.83Å; Y568-I571 PolarHBondContact O-N 3.41Å; Y568-I572 HydrophobicContact CD1-CD1 3.7Å; Y568-I572 HydrophobicContact CE1-CD1 3.7Å; Y568-I572 WeakPolarHBondContact O-CG1 3.35Å; Y568-I572 PolarHBondContact O-N 2.85Å |
| 569 | I | 53.6 | Low | 51.5 | Low | 87 Ų | 87 | 95.5 Ų | 95.5 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 171.1 | -66.1 | 178.5 | 0 | 0 | 0 | 110.3 | I565 I571 I572 V573 | I565-I569 HydrophobicContact CG2-CD1 3.62Å; I565-I569 HydrophobicContact CG2-CG1 4.12Å; I565-I569 WeakPolarHBondContact O-CB 3.31Å; I565-I569 WeakPolarHBondContact O-CG1 3.33Å; I565-I569 PolarHBondContact O-N 3.4Å; I569-I571 PolarHBondContact O-N 2.69Å; I569-I572 PolarHBondContact O-N 3.1Å; I569-V573 HydrophobicContact CG2-CG2 4.04Å; I569-V573 VanDerWaalsContact O-CB 3.31Å; I569-V573 WeakPolarHBondContact O-CB 3.37Å; I569-V573 VanDerWaalsContact O-CG2 3.25Å; I569-V573 WeakPolarHBondContact O-CG2 3.47Å; I569-V573 PolarHBondContact O-N 3.18Å |
| 570 | L | 52.4 | Low | 50.1 | Low | 79 Ų | 79 | 100.6 Ų | 100.6 | 41% | 0.414 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 172.2 | -91 | 168.4 | 0 | 0 | 0 | 111.3 | Y566 I567 I572 V573 F574 | Y566-L570 HydrophobicContact CD1-CD1 3.77Å; Y566-L570 HydrophobicContact CD1-CG 4.48Å; Y566-L570 HydrophobicContact CE1-CD1 3.51Å; Y566-L570 HydrophobicContact CE1-CG 4.23Å; Y566-L570 WeakPolarHBondContact O-CB 3.43Å; Y566-L570 VanDerWaalsContact O-CG 3.27Å; Y566-L570 WeakPolarHBondContact O-CG 3.45Å; Y566-L570 PolarHBondContact O-N 2.99Å; I567-L570 WeakPolarHBondContact O-CB 3.33Å; I567-L570 PolarHBondContact O-N 2.94Å; L570-I572 PolarHBondContact O-N 2.66Å; L570-V573 PolarHBondContact O-N 3.5Å; L570-F574 WeakPolarHBondContact O-CB 3.12Å; L570-F574 PolarHBondContact O-N 3.03Å |
| 571 | I | 58.2 | Low | 48.6 | Very low | 98 Ų | 98 | 104 Ų | 104 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -47.8 | 177.9 | -71.3 | 163 | 0 | 0 | 0 | 110.5 | I567 Y568 I569 F574 V575 | I567-I571 HydrophobicContact CG2-CD1 3.9Å; I567-I571 VanDerWaalsContact O-CG1 3.28Å; I567-I571 WeakPolarHBondContact O-CG1 3.49Å; I567-I571 PolarHBondContact O-N 3.34Å; Y568-I571 PolarHBondContact O-N 3.41Å; I569-I571 PolarHBondContact O-N 2.69Å; I571-F574 PolarHBondContact O-N 3.41Å; I571-V575 WeakPolarHBondContact O-CG2 3.34Å; I571-V575 PolarHBondContact O-N 2.94Å |
| 572 | I | 53.5 | Low | 47.3 | Very low | 80 Ų | 80 | 109.1 Ų | 109.1 | 41% | 0.41 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 177.5 | -70.3 | 167.7 | 0 | 0 | 0 | 111.3 | Y568 I569 L570 V575 I576 | Y568-I572 HydrophobicContact CD1-CD1 3.7Å; Y568-I572 HydrophobicContact CE1-CD1 3.7Å; Y568-I572 WeakPolarHBondContact O-CG1 3.35Å; Y568-I572 PolarHBondContact O-N 2.85Å; I569-I572 PolarHBondContact O-N 3.1Å; L570-I572 PolarHBondContact O-N 2.66Å; I572-V575 PolarHBondContact O-N 3.26Å; I572-I576 HydrophobicContact CG2-CD1 3.74Å; I572-I576 VanDerWaalsContact O-CG1 3.24Å; I572-I576 WeakPolarHBondContact O-CG1 3.27Å; I572-I576 PolarHBondContact O-N 2.86Å; I572-I576 VanDerWaalsContact O-N 3.11Å |
| 573 | V | 50.6 | Low | 46 | Very low | 72 Ų | 72 | 108.3 Ų | 108.3 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.8 | -33.1 | 179.5 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | I569 L570 V575 I576 I577 | I569-V573 HydrophobicContact CG2-CG2 4.04Å; I569-V573 VanDerWaalsContact O-CB 3.31Å; I569-V573 WeakPolarHBondContact O-CB 3.37Å; I569-V573 VanDerWaalsContact O-CG2 3.25Å; I569-V573 WeakPolarHBondContact O-CG2 3.47Å; I569-V573 PolarHBondContact O-N 3.18Å; L570-V573 PolarHBondContact O-N 3.5Å; V573-V575 VanDerWaalsContact C-N 3.32Å; V573-I576 PolarHBondContact O-N 3.12Å; V573-I576 VanDerWaalsContact O-N 3.17Å; V573-I577 PolarHBondContact O-N 3.03Å |
| 574 | F | 49.6 | Very low | 44.6 | Very low | 177 Ų | 177 | 113.6 Ų | 113.6 | 78% | 0.776 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.7 | -22.6 | 177.3 | -155.4 | -88.6 | 0 | 0 | 0 | 112.5 | L570 I571 | L570-F574 WeakPolarHBondContact O-CB 3.12Å; L570-F574 PolarHBondContact O-N 3.03Å; I571-F574 PolarHBondContact O-N 3.41Å |
| 575 | V | 52.7 | Low | 43.3 | Very low | 121 Ų | 121 | 109.3 Ų | 109.3 | 73% | 0.733 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76 | -33.3 | 166 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | I571 I572 V573 | I571-V575 WeakPolarHBondContact O-CG2 3.34Å; I571-V575 PolarHBondContact O-N 2.94Å; I572-V575 PolarHBondContact O-N 3.26Å; V573-V575 VanDerWaalsContact C-N 3.32Å |
| 576 | I | 49.2 | Very low | 42.4 | Very low | 124 Ų | 124 | 111 Ų | 111 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -94 | -35.6 | -171.8 | -63.9 | 169.6 | 0 | 0 | 0 | 114.1 | I572 V573 | I572-I576 HydrophobicContact CG2-CD1 3.74Å; I572-I576 VanDerWaalsContact O-CG1 3.24Å; I572-I576 WeakPolarHBondContact O-CG1 3.27Å; I572-I576 PolarHBondContact O-N 2.86Å; I572-I576 VanDerWaalsContact O-N 3.11Å; V573-I576 PolarHBondContact O-N 3.12Å; V573-I576 VanDerWaalsContact O-N 3.17Å |
| 577 | I | 38.2 | Very low | 41.6 | Very low | 119 Ų | 119 | 110.5 Ų | 110.5 | 61% | 0.61 | 59% | 0.587 | S | S | * | * | trans | -133.4 | 126.2 | -175.5 | -50.8 | -174 | 0 | 0 | 0 | 112 | V573 | V573-I577 PolarHBondContact O-N 3.03Š| ||
| 578 | K | 32.9 | Very low | 41.3 | Very low | 184 Ų | 184 | 109.8 Ų | 109.8 | 80% | 0.8 | 58% | 0.582 | S | S | * | * | trans | -124.1 | 60.7 | -172.7 | -167.1 | -176.2 | 179.9 | 178.5 | 0 | 112.9 | ||||
| 579 | L | 30 | Very low | 41.6 | Very low | 150 Ų | 150 | 104.5 Ų | 104.5 | 79% | 0.785 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -168.3 | 124.8 | 161.6 | -105.3 | 157.9 | 0 | 0 | 0 | 113 | ||
| 580 | T | 31.9 | Very low | 41.9 | Very low | 120 Ų | 120 | 100.7 Ų | 100.7 | 74% | 0.736 | 54% | 0.544 | S | S | * | . | trans | 40.6 | 97.9 | 151.3 | -44.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 581 | V | 28.2 | Very low | 42.5 | Very low | 123 Ų | 123 | 99.8 Ų | 99.8 | 75% | 0.745 | 55% | 0.545 | S | S | * | . | trans | -139.3 | 140.8 | 140.4 | 175.8 | 0 | 0 | 0 | 0 | 109.3 | V583 | V581-V583 HydrophobicContact CG1-CG2 4.23Š| ||
| 582 | I | 29.8 | Very low | 43 | Very low | 139 Ų | 139 | 95.6 Ų | 95.6 | 71% | 0.713 | 52% | 0.523 | S | S | * | . | trans | -85.8 | 121.1 | 172.6 | -62.7 | 165.9 | 0 | 0 | 0 | 108.8 | ||||
| 583 | V | 31.5 | Very low | 43.7 | Very low | 82 Ų | 82 | 92 Ų | 92 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | trans | -119.9 | 89.8 | 169.7 | -175 | 0 | 0 | 0 | 0 | 109.3 | V581 | V581-V583 HydrophobicContact CG1-CG2 4.23Š| ||
| 584 | N | 25.9 | Very low | 44.7 | Very low | 143 Ų | 143 | 90.2 Ų | 90.2 | 77% | 0.765 | 49% | 0.494 | S | S | * | . | trans | -89.3 | 129.1 | 168.5 | -83.8 | -51.3 | 0 | 0 | 0 | 109.6 | ||||
| 585 | G | 26.9 | Very low | 45.9 | Very low | 57 Ų | 57 | 83.7 Ų | 83.7 | 59% | 0.588 | 47% | 0.466 | S | S | * | . | trans | 96.7 | 80.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 586 | F | 32.4 | Very low | 47.1 | Very low | 63 Ų | 63 | 78.1 Ų | 78.1 | 28% | 0.276 | 43% | 0.432 | S | S | . | . | trans | -106 | 149.6 | 137.6 | -83.3 | -83.7 | 0 | 0 | 0 | 108.6 | F189 | F189-F586 AromaticContact CD2-CE1 3.86Å; F189-F586 HydrophobicContact CD2-CE1 3.86Å; F189-F586 HydrophobicContact CD2-CE2 4.31Å; F189-F586 AromaticContact CD2-CZ 3.52Å; F189-F586 HydrophobicContact CD2-CZ 3.52Å; F189-F586 HydrophobicContact CE2-CE1 4.06Å; F189-F586 AromaticContact CE2-CE2 3.72Å; F189-F586 HydrophobicContact CE2-CE2 3.72Å; F189-F586 AromaticContact CE2-CZ 3.24Å; F189-F586 HydrophobicContact CE2-CZ 3.24Å; F189-F586 HydrophobicContact CZ-CZ 4.12Å | ||
| 587 | V | 38.2 | Very low | 48.4 | Very low | 77 Ų | 77 | 72.4 Ų | 72.4 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | trans | -103.1 | 113.4 | -178.4 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 588 | E | 49.4 | Very low | 50.3 | Low | 70 Ų | 70 | 69.2 Ų | 69.2 | 33% | 0.327 | 39% | 0.391 | S | S | . | . | trans | -106.9 | 19 | -160.2 | -48.4 | -176.2 | 154.5 | 0 | 0 | 113.7 | R705 | E588-R705 HydrophobicContact CB-CG 4.26Å; E588-R705 IonicContact OE1-CZ 3.18Å; E588-R705 IonicContact OE1-NH2 2.7Å; E588-R705 PolarHBondContact OE1-NH2 2.76Å; E588-R705 IonicContact OE2-CZ 3.8Å; E588-R705 IonicContact OE2-NE 3.67Å; E588-R705 PolarHBondContact OE2-NE 2.81Å; E588-R705 IonicContact OE2-NH2 2.75Å; E588-R705 PolarHBondContact OE2-NH2 2.65Å | ||
| 589 | T | 58.1 | Low | 52.6 | Low | 29 Ų | 29 | 60.4 Ų | 60.4 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -134.7 | -173 | -151.3 | 69.5 | 0 | 0 | 0 | 0 | 113 | S591 D592 | T589-S591 PolarHBondContact O-N 3.42Å; T589-D592 PolarHBondContact O-N 3.37Å |
| 590 | L | 60.2 | Low | 55.2 | Low | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -42.3 | -30.2 | 172.2 | -164.4 | 76.4 | 0 | 0 | 0 | 114.6 | D592 A593 L594 L659 F660 I663 | L590-D592 VanDerWaalsContact C-N 3.32Å; L590-D592 PolarHBondContact O-N 3.37Å; L590-A593 PolarHBondContact O-N 3.45Å; L590-L594 HydrophobicContact CD2-CD1 4.48Å; L590-L594 HydrophobicContact CG-CD1 4.4Å; L590-L594 WeakPolarHBondContact O-CG 3.3Å; L590-L594 PolarHBondContact O-N 3.22Å; L590-L659 HydrophobicContact CD1-CD2 3.56Å; L590-L659 HydrophobicContact CD1-CG 4.11Å; L590-L659 HydrophobicContact CG-CD2 3.93Å; L590-F660 HydrophobicContact CD1-CD1 4.18Å; L590-F660 HydrophobicContact CD1-CE1 3.62Å; L590-F660 HydrophobicContact CD1-CZ 4.41Å; L590-F660 HydrophobicContact CD2-CE1 3.56Å; L590-F660 HydrophobicContact CD2-CZ 3.51Å; L590-F660 HydrophobicContact CG-CE1 4.26Å; L590-I663 HydrophobicContact CD1-CD1 4.03Å |
| 591 | S | 65 | Low | 57.8 | Low | 61 Ų | 61 | 47.6 Ų | 47.6 | 43% | 0.427 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -37.5 | 176.3 | -170.5 | 0 | 0 | 0 | 0 | 113.4 | T589 L594 L595 | T589-S591 PolarHBondContact O-N 3.42Å; S591-L594 PolarHBondContact O-N 3.42Å; S591-L595 WeakPolarHBondContact O-CB 3.29Å; S591-L595 PolarHBondContact O-N 2.96Å |
| 592 | D | 68.1 | Low | 60.2 | Low | 9 Ų | 9 | 42.2 Ų | 42.2 | 5% | 0.048 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -38.3 | 177.3 | -106.6 | -3.6 | 0 | 0 | 0 | 111.7 | R185 I559 T589 L590 L594 L595 Y596 | R185-D592 IonicContact CZ-OD1 2.7Å; R185-D592 IonicContact CZ-OD2 3.15Å; R185-D592 VanDerWaalsContact CZ-OD2 3.22Å; R185-D592 IonicContact NH1-OD1 3.24Å; R185-D592 PolarHBondContact NH1-OD1 2.9Å; R185-D592 IonicContact NH1-OD2 3.77Å; R185-D592 PolarHBondContact NH1-OD2 2.97Å; R185-D592 IonicContact NH2-OD1 3.81Å; R185-D592 IonicContact NH2-OD2 3.38Å; R185-D592 PolarHBondContact NH2-OD2 3.15Å; I559-D592 HydrophobicContact CD1-CB 3.89Å; T589-D592 PolarHBondContact O-N 3.37Å; L590-D592 VanDerWaalsContact C-N 3.32Å; L590-D592 PolarHBondContact O-N 3.37Å; D592-L594 VanDerWaalsContact C-N 3.35Å; D592-L595 PolarHBondContact O-N 2.95Å; D592-Y596 PolarHBondContact O-N 3.19Å |
| 593 | A | 69.4 | Low | 62.4 | Low | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.9 | -35.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L590 Y596 L597 L659 | L590-A593 PolarHBondContact O-N 3.45Å; A593-Y596 PolarHBondContact O-N 3.28Å; A593-L597 WeakPolarHBondContact O-CG 3.34Å; A593-L597 PolarHBondContact O-N 3.01Å; A593-L659 HydrophobicContact CB-CD1 3.98Å; A593-L659 HydrophobicContact CB-CD2 4.07Å |
| 594 | L | 71.4 | Confident | 64.3 | Low | 36 Ų | 36 | 35.3 Ų | 35.3 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68 | -36.8 | 171.7 | -69.5 | 167.8 | 0 | 0 | 0 | 112.2 | L590 S591 D592 L597 S598 K656 L659 | L590-L594 HydrophobicContact CD2-CD1 4.48Å; L590-L594 HydrophobicContact CG-CD1 4.4Å; L590-L594 WeakPolarHBondContact O-CG 3.3Å; L590-L594 PolarHBondContact O-N 3.22Å; S591-L594 PolarHBondContact O-N 3.42Å; D592-L594 VanDerWaalsContact C-N 3.35Å; L594-L597 PolarHBondContact O-N 3.01Å; L594-S598 WeakPolarHBondContact O-CB 3.5Å; L594-S598 PolarHBondContact O-N 2.89Å; L594-S598 PolarHBondContact O-OG 3.1Å; L594-K656 HydrophobicContact CD1-CG 3.93Å; L594-K656 HydrophobicContact CD2-CG 3.87Å; L594-L659 HydrophobicContact CD2-CD2 3.71Å; L594-L659 HydrophobicContact CG-CD2 3.82Å |
| 595 | L | 75.2 | Confident | 66.1 | Low | 39 Ų | 39 | 30.1 Ų | 30.1 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.5 | -35 | 174.7 | 179.2 | 61.2 | 0 | 0 | 0 | 112.5 | F181 S591 D592 S598 S599 | F181-L595 HydrophobicContact CD2-CG 4.14Å; F181-L595 HydrophobicContact CE2-CB 4.23Å; F181-L595 HydrophobicContact CE2-CD2 4.15Å; F181-L595 HydrophobicContact CE2-CG 4.04Å; S591-L595 WeakPolarHBondContact O-CB 3.29Å; S591-L595 PolarHBondContact O-N 2.96Å; D592-L595 PolarHBondContact O-N 2.95Å; L595-S598 WeakPolarHBondContact CA-OG 3.32Å; L595-S598 PolarHBondContact O-OG 3.42Å; L595-S598 VanDerWaalsContact O-OG 3.14Å; L595-S599 PolarHBondContact O-N 3.42Å; L595-S599 PolarHBondContact O-OG 3.42Å |
| 596 | Y | 78.4 | Confident | 67.5 | Low | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.1 | -45 | 169.7 | -176.6 | -87.6 | 0 | 0 | 0 | 111.5 | T177 K178 F181 A551 V555 D592 A593 S598 S599 T600 | T177-Y596 HydrophobicContact CG2-CD1 4.07Å; T177-Y596 HydrophobicContact CG2-CD2 4.03Å; T177-Y596 HydrophobicContact CG2-CE1 3.69Å; T177-Y596 HydrophobicContact CG2-CE2 3.66Å; T177-Y596 HydrophobicContact CG2-CG 4.24Å; T177-Y596 VanDerWaalsContact CG2-CZ 3.48Å; K178-Y596 HydrophobicContact CG-CE2 3.81Å; F181-Y596 HydrophobicContact CB-CD2 3.89Å; F181-Y596 HydrophobicContact CD1-CD2 4.14Å; F181-Y596 HydrophobicContact CD2-CD2 4.11Å; F181-Y596 HydrophobicContact CD2-CG 4.46Å; F181-Y596 AromaticContact CG-CD2 3.79Å; F181-Y596 HydrophobicContact CG-CD2 3.79Å; A551-Y596 HydrophobicContact CB-CE1 4.12Å; V555-Y596 HydrophobicContact CG2-CD1 3.33Å; V555-Y596 HydrophobicContact CG2-CD2 3.37Å; V555-Y596 HydrophobicContact CG2-CE1 3.67Å; V555-Y596 HydrophobicContact CG2-CE2 3.69Å; V555-Y596 HydrophobicContact CG2-CG 3.16Å; D592-Y596 PolarHBondContact O-N 3.19Å; A593-Y596 PolarHBondContact O-N 3.28Å; Y596-S598 VanDerWaalsContact C-N 3.35Å; Y596-S598 PolarHBondContact O-N 3.21Å; Y596-S599 CarbonylContact O-C 3.43Å; Y596-S599 WeakPolarHBondContact O-CA 3.41Å; Y596-S599 VanDerWaalsContact O-CB 3.3Å; Y596-S599 WeakPolarHBondContact O-CB 3.47Å; Y596-S599 PolarHBondContact O-N 2.95Å; Y596-T600 PolarHBondContact O-N 2.79Å |
| 597 | L | 76.2 | Confident | 68.3 | Low | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -38.5 | 177.3 | -75.7 | 177.1 | 0 | 0 | 0 | 112.6 | L548 L552 A593 L594 S599 T600 A603 M655 L659 | L548-L597 HydrophobicContact CD1-CD2 3.8Å; L552-L597 HydrophobicContact CD2-CD1 4.22Å; L552-L597 HydrophobicContact CD2-CD2 4.1Å; L552-L597 HydrophobicContact CD2-CG 4.08Å; A593-L597 WeakPolarHBondContact O-CG 3.34Å; A593-L597 PolarHBondContact O-N 3.01Å; L594-L597 PolarHBondContact O-N 3.01Å; L597-S599 PolarHBondContact O-N 2.79Å; L597-T600 HydrophobicContact CD2-CG2 4.49Å; L597-T600 WeakPolarHBondContact O-CB 3.37Å; L597-T600 PolarHBondContact O-N 3.06Å; L597-T600 VanDerWaalsContact O-N 3.09Å; L597-T600 PolarHBondContact O-OG1 2.85Å; L597-A603 WeakPolarHBondContact O-CB 3.44Å; L597-M655 HydrophobicContact CB-CE 3.87Å; L597-M655 HydrophobicContact CD1-CE 4.32Å; L597-M655 HydrophobicContact CD2-CE 4.5Å; L597-M655 HydrophobicContact CG-CE 4.47Å; L597-L659 HydrophobicContact CD1-CB 3.91Å; L597-L659 HydrophobicContact CD1-CD1 4.02Å; L597-L659 HydrophobicContact CD1-CD2 4.3Å; L597-L659 HydrophobicContact CD1-CG 4.31Å |
| 598 | S | 77.5 | Confident | 68.3 | Low | 52 Ų | 52 | 30.9 Ų | 30.9 | 36% | 0.364 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -1.8 | 172 | 70.9 | 0 | 0 | 0 | 0 | 113.9 | R184 L594 L595 Y596 | R184-S598 PolarHBondContact NH1-O 3.2Å; L594-S598 WeakPolarHBondContact O-CB 3.5Å; L594-S598 PolarHBondContact O-N 2.89Å; L594-S598 PolarHBondContact O-OG 3.1Å; L595-S598 WeakPolarHBondContact CA-OG 3.32Å; L595-S598 PolarHBondContact O-OG 3.42Å; L595-S598 VanDerWaalsContact O-OG 3.14Å; Y596-S598 VanDerWaalsContact C-N 3.35Å; Y596-S598 PolarHBondContact O-N 3.21Å |
| 599 | S | 81.2 | Confident | 67.9 | Low | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 0.6 | 170 | -52.6 | 0 | 0 | 0 | 0 | 113.1 | T177 R184 W238 L595 Y596 L597 | T177-S599 WeakPolarHBondContact CG2-O 3.44Å; T177-S599 PolarHBondContact OG1-O 3.18Å; R184-S599 WeakPolarHBondContact CD-OG 3.34Å; R184-S599 VanDerWaalsContact NH1-CA 3.32Å; R184-S599 PolarHBondContact NH1-OG 3.23Å; W238-S599 PolarHBondContact NE1-O 3.38Å; L595-S599 PolarHBondContact O-N 3.42Å; L595-S599 PolarHBondContact O-OG 3.42Å; Y596-S599 CarbonylContact O-C 3.43Å; Y596-S599 WeakPolarHBondContact O-CA 3.41Å; Y596-S599 VanDerWaalsContact O-CB 3.3Å; Y596-S599 WeakPolarHBondContact O-CB 3.47Å; Y596-S599 PolarHBondContact O-N 2.95Å; L597-S599 PolarHBondContact O-N 2.79Å |
| 600 | T | 84.3 | Confident | 67.2 | Low | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -83.4 | 158.2 | 171.5 | 66.3 | 0 | 0 | 0 | 0 | 112.3 | T177 W238 L537 Y596 L597 L602 A603 | T177-T600 HydrophobicContact CG2-CG2 3.91Å; W238-T600 VanDerWaalsContact NE1-C 3.26Å; L537-T600 HydrophobicContact CD1-CG2 3.6Å; Y596-T600 PolarHBondContact O-N 2.79Å; L597-T600 HydrophobicContact CD2-CG2 4.49Å; L597-T600 WeakPolarHBondContact O-CB 3.37Å; L597-T600 PolarHBondContact O-N 3.06Å; L597-T600 VanDerWaalsContact O-N 3.09Å; L597-T600 PolarHBondContact O-OG1 2.85Å; T600-L602 PolarHBondContact O-N 2.87Å; T600-A603 PolarHBondContact O-N 3.29Å; T600-A603 PolarHBondContact OG1-N 3.04Å |
| 601 | L | 86 | Confident | 66.4 | Low | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -69.1 | -24.8 | 173 | 179.5 | 61.1 | 0 | 0 | 0 | 111.3 | I163 E173 L235 W238 V533 A603 T604 T605 | I163-L601 HydrophobicContact CD1-CD2 4.11Å; I163-L601 HydrophobicContact CG2-CD2 4.39Å; E173-L601 HydrophobicContact CG-CB 4.15Å; E173-L601 WeakPolarHBondContact OE1-CB 3.33Å; E173-L601 PolarHBondContact OE1-N 3.36Å; E173-L601 VanDerWaalsContact OE1-N 3.11Å; L235-L601 HydrophobicContact CD2-CD1 3.82Å; L235-L601 HydrophobicContact CD2-CD2 3.67Å; L235-L601 HydrophobicContact CD2-CG 4.41Å; W238-L601 HydrophobicContact CB-CD1 4.12Å; W238-L601 HydrophobicContact CD2-CB 4.01Å; W238-L601 HydrophobicContact CD2-CD1 4.02Å; W238-L601 HydrophobicContact CE3-CB 4.28Å; W238-L601 HydrophobicContact CE3-CD1 4.04Å; W238-L601 HydrophobicContact CG-CB 4.45Å; W238-L601 HydrophobicContact CG-CD1 4.05Å; W238-L601 HydrophobicContact CZ2-CB 4.3Å; V533-L601 HydrophobicContact CG1-CD2 4.25Å; L601-A603 VanDerWaalsContact C-N 3.28Å; L601-A603 PolarHBondContact O-N 3.41Å; L601-T604 PolarHBondContact O-N 2.89Å; L601-T605 HydrophobicContact CD1-CG2 3.76Å; L601-T605 HydrophobicContact CG-CG2 3.94Å; L601-T605 WeakPolarHBondContact O-CG2 3.43Å; L601-T605 PolarHBondContact O-N 3.06Å; L601-T605 PolarHBondContact O-OG1 3.16Å |
| 602 | L | 80.2 | Confident | 65.2 | Low | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.4 | -44.9 | 174.9 | -171.3 | 67 | 0 | 0 | 0 | 111.2 | E173 M538 T600 T604 T605 V606 | E173-L602 PolarHBondContact OE1-N 2.94Å; M538-L602 HydrophobicContact CB-CD1 4.29Å; M538-L602 HydrophobicContact CG-CD1 3.72Å; M538-L602 HydrophobicContact CG-CD2 3.81Å; M538-L602 HydrophobicContact CG-CG 4.45Å; T600-L602 PolarHBondContact O-N 2.87Å; L602-T604 PolarHBondContact O-N 3.17Å; L602-T604 VanDerWaalsContact O-N 3.16Å; L602-T605 PolarHBondContact O-N 2.97Å; L602-T605 VanDerWaalsContact O-N 3.14Å; L602-T605 PolarHBondContact O-OG1 2.94Å; L602-V606 HydrophobicContact CD1-CG2 3.52Å; L602-V606 HydrophobicContact CG-CG2 3.96Å; L602-V606 WeakPolarHBondContact O-CG2 3.37Å; L602-V606 PolarHBondContact O-N 3.41Å |
| 603 | A | 74.7 | Confident | 63.9 | Low | 26 Ų | 26 | 48.9 Ų | 48.9 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -18 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L597 T600 L601 F651 | L597-A603 WeakPolarHBondContact O-CB 3.44Å; T600-A603 PolarHBondContact O-N 3.29Å; T600-A603 PolarHBondContact OG1-N 3.04Å; L601-A603 VanDerWaalsContact C-N 3.28Å; L601-A603 PolarHBondContact O-N 3.41Å; A603-F651 HydrophobicContact CB-CZ 4.17Å |
| 604 | T | 70.9 | Confident | 62.4 | Low | 50 Ų | 50 | 52.4 Ų | 52.4 | 31% | 0.307 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -100.5 | -5.5 | 177.6 | -31.4 | 0 | 0 | 0 | 0 | 113.2 | W238 L601 L602 | W238-T604 HydrophobicContact CB-CG2 4.31Å; L601-T604 PolarHBondContact O-N 2.89Å; L602-T604 PolarHBondContact O-N 3.17Å; L602-T604 VanDerWaalsContact O-N 3.16Å |
| 605 | T | 63.6 | Low | 60.7 | Low | 33 Ų | 33 | 55 Ų | 55 | 20% | 0.202 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -125.2 | -8.7 | -169.2 | 51.1 | 0 | 0 | 0 | 0 | 115.9 | L601 L602 | L601-T605 HydrophobicContact CD1-CG2 3.76Å; L601-T605 HydrophobicContact CG-CG2 3.94Å; L601-T605 WeakPolarHBondContact O-CG2 3.43Å; L601-T605 PolarHBondContact O-N 3.06Å; L601-T605 PolarHBondContact O-OG1 3.16Å; L602-T605 PolarHBondContact O-N 2.97Å; L602-T605 VanDerWaalsContact O-N 3.14Å; L602-T605 PolarHBondContact O-OG1 2.94Å |
| 606 | V | 57 | Low | 58.8 | Low | 47 Ų | 47 | 58.9 Ų | 58.9 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | trans | -87.8 | 114.3 | 179.9 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | L602 L611 | L602-V606 HydrophobicContact CD1-CG2 3.52Å; L602-V606 HydrophobicContact CG-CG2 3.96Å; L602-V606 WeakPolarHBondContact O-CG2 3.37Å; L602-V606 PolarHBondContact O-N 3.41Å; V606-L611 HydrophobicContact CG1-CD1 3.69Å; V606-L611 HydrophobicContact CG1-CG 3.93Å | ||
| 607 | T | 49.6 | Very low | 56.6 | Low | 84 Ų | 84 | 62.7 Ų | 62.7 | 52% | 0.515 | 33% | 0.331 | S | S | . | . | trans | -84.3 | 151.3 | 163.8 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | E609 K610 | T607-E609 PolarHBondContact O-N 2.9Å; T607-K610 PolarHBondContact O-N 2.86Å | ||
| 608 | W | 38.9 | Very low | 54.5 | Low | 82 Ų | 82 | 71.2 Ų | 71.2 | 31% | 0.311 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -30.9 | -169 | -106.2 | 88.9 | 0 | 0 | 0 | 116.2 | R650 | W608-R650 HydrophobicContact CH2-CB 3.93Å; W608-R650 HydrophobicContact CH2-CG 3.61Å; W608-R650 HydrophobicContact CZ2-CB 3.58Å; W608-R650 HydrophobicContact CZ2-CG 3.81Å |
| 609 | E | 41.1 | Very low | 52.1 | Low | 155 Ų | 155 | 72.5 Ų | 72.5 | 72% | 0.724 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.7 | -40.1 | -172.9 | -60.3 | 176.2 | 128.4 | 0 | 0 | 112.8 | T607 L611 N612 | T607-E609 PolarHBondContact O-N 2.9Å; E609-L611 VanDerWaalsContact C-N 3.3Å; E609-L611 PolarHBondContact O-N 2.61Å; E609-N612 PolarHBondContact O-N 3.4Å; E609-N612 VanDerWaalsContact O-N 3.1Å |
| 610 | K | 43.2 | Very low | 49.5 | Very low | 133 Ų | 133 | 78.5 Ų | 78.5 | 58% | 0.578 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69 | -22.3 | -172.5 | -72.2 | -178.4 | 179.4 | 172.5 | 0 | 114.4 | T607 | T607-K610 PolarHBondContact O-N 2.86Å |
| 611 | L | 43.4 | Very low | 46.6 | Very low | 35 Ų | 35 | 89.3 Ų | 89.3 | 18% | 0.183 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -83.8 | -21.6 | 174.5 | -77.1 | 171.1 | 0 | 0 | 0 | 112.7 | M538 V606 E609 N615 Q654 | M538-L611 HydrophobicContact CE-CD2 4.45Å; V606-L611 HydrophobicContact CG1-CD1 3.69Å; V606-L611 HydrophobicContact CG1-CG 3.93Å; E609-L611 VanDerWaalsContact C-N 3.3Å; E609-L611 PolarHBondContact O-N 2.61Å; L611-N615 PolarHBondContact O-ND2 2.79Å; L611-Q654 VanDerWaalsContact CB-OE1 3.26Å; L611-Q654 HydrophobicContact CD1-CB 4.39Å; L611-Q654 VanDerWaalsContact CD1-OE1 3.23Å |
| 612 | N | 38.3 | Very low | 43.7 | Very low | 77 Ų | 77 | 92.1 Ų | 92.1 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -78 | -33.3 | 179.2 | -82.2 | -17.7 | 0 | 0 | 0 | 113.2 | E609 F614 N615 | E609-N612 PolarHBondContact O-N 3.4Å; E609-N612 VanDerWaalsContact O-N 3.1Å; N612-F614 PolarHBondContact O-N 3.09Å; N612-N615 PolarHBondContact O-N 2.95Å |
| 613 | E | 42.2 | Very low | 41 | Very low | 154 Ų | 154 | 99.2 Ų | 99.2 | 72% | 0.72 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.9 | -31.4 | 174 | -66.5 | -167.6 | 130.4 | 0 | 0 | 112.4 | ||
| 614 | F | 37.3 | Very low | 38.7 | Very low | 79 Ų | 79 | 109.1 Ų | 109.1 | 35% | 0.346 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.9 | -43.2 | -177 | -163 | -114 | 0 | 0 | 0 | 112.8 | G541 G542 N612 N616 S617 | G541-F614 WeakPolarHBondContact O-CE2 3.49Å; G542-F614 WeakPolarHBondContact O-CE2 3.38Å; G542-F614 WeakPolarHBondContact O-CZ 3.47Å; N612-F614 PolarHBondContact O-N 3.09Å; F614-N616 PolarHBondContact O-N 3.23Å; F614-S617 WeakPolarHBondContact O-CB 3.33Å; F614-S617 PolarHBondContact O-N 3.25Å; F614-S617 PolarHBondContact O-OG 3.27Å |
| 615 | N | 36.1 | Very low | 36.5 | Very low | 89 Ų | 89 | 118.7 Ų | 118.7 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.4 | -33.4 | -176.2 | -69.6 | -57.1 | 0 | 0 | 0 | 113.2 | L611 N612 S617 | L611-N615 PolarHBondContact O-ND2 2.79Å; N612-N615 PolarHBondContact O-N 2.95Å; N615-S617 PolarHBondContact O-N 3.18Å |
| 616 | N | 35.1 | Very low | 34.5 | Very low | 122 Ų | 122 | 129 Ų | 129 | 65% | 0.652 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -5.1 | 179.3 | -72.2 | -19.9 | 0 | 0 | 0 | 113.6 | F614 | F614-N616 PolarHBondContact O-N 3.23Š|
| 617 | S | 32.7 | Very low | 32.9 | Very low | 84 Ų | 84 | 132.3 Ų | 132.3 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -13 | -176.9 | 72.9 | 0 | 0 | 0 | 0 | 115.1 | F614 N615 | F614-S617 WeakPolarHBondContact O-CB 3.33Å; F614-S617 PolarHBondContact O-N 3.25Å; F614-S617 PolarHBondContact O-OG 3.27Å; N615-S617 PolarHBondContact O-N 3.18Å |
| 618 | Q | 31 | Very low | 31.7 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -102.7 | -4.4 | 178.9 | -66 | -162 | -3 | 0 | 0 | 114.5 | ||
| 619 | S | 26.8 | Very low | 30.8 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -119.5 | 38.1 | -168.3 | 53.2 | 0 | 0 | 0 | 0 | 115 | ||
| 620 | T | 27.5 | Very low | 30 | Very low | 127 Ų | 127 | 145 Ų | 145 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | trans | -161.6 | 119.1 | 157.5 | 8.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 621 | K | 24.4 | Very low | 28.9 | Very low | 226 Ų | 226 | 143.8 Ų | 143.8 | 98% | 0.983 | 72% | 0.718 | S | S | * | * | trans | -89.9 | 96.3 | 156.9 | -77.9 | -178.6 | 177.3 | 175 | 0 | 108.3 | ||||
| 622 | G | 24.1 | Very low | 27.9 | Very low | 60 Ų | 60 | 150.7 Ų | 150.7 | 62% | 0.619 | 75% | 0.75 | S | S | * | * | trans | -169.8 | 86 | -174.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 623 | N | 23.7 | Very low | 27.3 | Very low | 159 Ų | 159 | 153.2 Ų | 153.2 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | 71.3 | 141 | 149.6 | -88.8 | -43.9 | 0 | 0 | 0 | 122.9 | ||||
| 624 | R | 25.7 | Very low | 26.3 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | trans | 70.5 | 107.9 | 156.3 | -69.4 | 178.5 | 176.1 | 179.2 | -0.8 | 120.4 | ||||
| 625 | R | 24.3 | Very low | 25.5 | Very low | 250 Ų | 250 | 153.3 Ų | 153.3 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | trans | -56.4 | 135.5 | 149.3 | -67.1 | 173.2 | 172.2 | 164.6 | -3.9 | 110.8 | ||||
| 626 | R | 23.4 | Very low | 25 | Very low | 251 Ų | 251 | 159.8 Ų | 159.8 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | trans | -156 | 145 | 144.9 | -112.6 | 175.1 | -172 | -175 | 1.6 | 110.4 | ||||
| 627 | S | 22.6 | Very low | 24.4 | Very low | 115 Ų | 115 | 159.2 Ų | 159.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -75.5 | 140.5 | 176.5 | 54.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 628 | L | 23.3 | Very low | 23.9 | Very low | 175 Ų | 175 | 164 Ų | 164 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -142.2 | 143.7 | 159.7 | -108.5 | 164.9 | 0 | 0 | 0 | 111.3 | ||||
| 629 | R | 21.1 | Very low | 23.5 | Very low | 229 Ų | 229 | 162.5 Ų | 162.5 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -75.6 | 142.5 | -179 | -63.7 | 166.4 | 173.1 | 162.6 | -4.7 | 109.4 | S631 | R629-S631 PolarHBondContact O-N 3.31Š| ||
| 630 | L | 24 | Very low | 23.4 | Very low | 183 Ų | 183 | 168.2 Ų | 168.2 | 96% | 0.958 | 84% | 0.842 | S | S | * | * | trans | -72.5 | 113.5 | 163.1 | -81.4 | 163.5 | 0 | 0 | 0 | 109.6 | ||||
| 631 | S | 20.5 | Very low | 23.3 | Very low | 108 Ų | 108 | 168.9 Ų | 168.9 | 76% | 0.755 | 84% | 0.839 | S | S | * | * | trans | -107.6 | 159.8 | 162.2 | 49.1 | 0 | 0 | 0 | 0 | 109.8 | R629 | R629-S631 PolarHBondContact O-N 3.31Š| ||
| 632 | Q | 21.6 | Very low | 23.3 | Very low | 180 Ų | 180 | 164.7 Ų | 164.7 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 141.3 | -170.6 | -63.3 | 167.5 | -42.3 | 0 | 0 | 113.3 | ||
| 633 | P | 25.9 | Very low | 23.4 | Very low | 131 Ų | 131 | 168.6 Ų | 168.6 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 133.8 | 154.9 | 32.3 | -30.7 | 0 | 0 | 0 | 109.6 | ||
| 634 | T | 20.6 | Very low | 23.5 | Very low | 108 Ų | 108 | 167.3 Ų | 167.3 | 66% | 0.663 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 160 | 175.8 | 44.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 635 | T | 21 | Very low | 23.9 | Very low | 126 Ų | 126 | 163.5 Ų | 163.5 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 138.9 | 173.9 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 636 | Y | 25.9 | Very low | 24.5 | Very low | 226 Ų | 226 | 157.5 Ų | 157.5 | 89% | 0.886 | 81% | 0.812 | S | S | * | * | trans | -124.7 | 152.2 | 150 | -96 | -86.8 | 0 | 0 | 0 | 109.5 | ||||
| 637 | S | 22.3 | Very low | 25.2 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -92.1 | 151.5 | -165.8 | 48.9 | 0 | 0 | 0 | 0 | 113.8 | N639 | S637-N639 PolarHBondContact O-N 2.84Š| ||
| 638 | E | 22.6 | Very low | 26.1 | Very low | 183 Ų | 183 | 149.8 Ų | 149.8 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | trans | -62.2 | 125.8 | 161.7 | -61.9 | 168.1 | 146.6 | 0 | 0 | 109.8 | ||||
| 639 | N | 21.9 | Very low | 27.2 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | 168.5 | 93.2 | 147.1 | -91.2 | -33.4 | 0 | 0 | 0 | 111 | S637 | S637-N639 PolarHBondContact O-N 2.84Š| ||
| 640 | E | 25.3 | Very low | 28.2 | Very low | 200 Ų | 200 | 144 Ų | 144 | 94% | 0.935 | 76% | 0.755 | S | S | * | * | trans | -161.9 | 151 | 135.4 | -114.9 | 166.8 | -160.9 | 0 | 0 | 109.5 | ||||
| 641 | I | 24.7 | Very low | 29.5 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | trans | -132.6 | 148 | -167.1 | -64.2 | 175.2 | 0 | 0 | 0 | 109 | ||||
| 642 | N | 24.2 | Very low | 31.2 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | trans | 85.5 | 94.6 | 179.8 | -46.8 | -68.7 | 0 | 0 | 0 | 116.1 | ||||
| 643 | D | 26 | Very low | 33 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 77% | 0.765 | 67% | 0.672 | S | S | * | * | -170.6 | 61.9 | 128.9 | -113.5 | -7.3 | 0 | 0 | 0 | 111.8 | N645 | D643-N645 VanDerWaalsContact C-N 3.3Å; D643-N645 PolarHBondContact O-N 3.12Å; D643-N645 VanDerWaalsContact O-N 3.16Å | |||
| 644 | D | 27.3 | Very low | 34.5 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -9.5 | -165.4 | -80.3 | -51.7 | 0 | 0 | 0 | 116.7 | ||
| 645 | N | 32.6 | Very low | 36.6 | Very low | 154 Ų | 154 | 119.6 Ų | 119.6 | 82% | 0.824 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -9.3 | -171.3 | -80.2 | -31.3 | 0 | 0 | 0 | 115.9 | D643 | D643-N645 VanDerWaalsContact C-N 3.3Å; D643-N645 PolarHBondContact O-N 3.12Å; D643-N645 VanDerWaalsContact O-N 3.16Å |
| 646 | N | 38.1 | Very low | 38.7 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -104.2 | -10.4 | -175.4 | -107.6 | -41.9 | 0 | 0 | 0 | 115.3 | ||
| 647 | N | 38 | Very low | 40.6 | Very low | 88 Ų | 88 | 108.9 Ų | 108.9 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -84.1 | -31.2 | -175.1 | -78.2 | -42 | 0 | 0 | 0 | 113.9 | R650 F651 | N647-R650 PolarHBondContact O-N 2.93Å; N647-F651 PolarHBondContact O-N 3.42Å; N647-F651 VanDerWaalsContact O-N 3.14Å |
| 648 | N | 41.2 | Very low | 42.8 | Very low | 116 Ų | 116 | 104.9 Ų | 104.9 | 62% | 0.62 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.2 | -46.6 | -174.9 | -75.8 | -36.1 | 0 | 0 | 0 | 113.4 | R650 T652 | N648-R650 VanDerWaalsContact C-N 3.28Å; N648-R650 PolarHBondContact O-N 3.14Å; N648-T652 WeakPolarHBondContact O-CB 3.4Å; N648-T652 PolarHBondContact O-N 2.9Å; N648-T652 PolarHBondContact O-OG1 2.9Å |
| 649 | D | 46.4 | Very low | 45.2 | Very low | 117 Ų | 117 | 96.2 Ų | 96.2 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.6 | -41.5 | 176.7 | -76.7 | -18.1 | 0 | 0 | 0 | 111.3 | T652 V653 | D649-T652 WeakPolarHBondContact O-CB 3.46Å; D649-T652 PolarHBondContact O-N 3.38Å; D649-T652 VanDerWaalsContact O-N 3.16Å; D649-V653 WeakPolarHBondContact O-CG2 3.47Å; D649-V653 PolarHBondContact O-N 3.4Å |
| 650 | R | 42.8 | Very low | 47.7 | Very low | 165 Ų | 165 | 90 Ų | 90 | 62% | 0.623 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -71.2 | -35.5 | -172.9 | -138.5 | -173.4 | -164.5 | -169.2 | 7.2 | 112 | W608 N647 N648 | W608-R650 HydrophobicContact CH2-CB 3.93Å; W608-R650 HydrophobicContact CH2-CG 3.61Å; W608-R650 HydrophobicContact CZ2-CB 3.58Å; W608-R650 HydrophobicContact CZ2-CG 3.81Å; N647-R650 PolarHBondContact O-N 2.93Å; N648-R650 VanDerWaalsContact C-N 3.28Å; N648-R650 PolarHBondContact O-N 3.14Å |
| 651 | F | 50 | Low | 49.9 | Very low | 55 Ų | 55 | 84.3 Ų | 84.3 | 24% | 0.241 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 167.8 | 170.9 | -96.8 | 0 | 0 | 0 | 111.3 | A603 N647 V653 Q654 M655 | A603-F651 HydrophobicContact CB-CZ 4.17Å; N647-F651 PolarHBondContact O-N 3.42Å; N647-F651 VanDerWaalsContact O-N 3.14Å; F651-V653 VanDerWaalsContact C-N 3.34Å; F651-V653 PolarHBondContact O-N 3.15Å; F651-Q654 PolarHBondContact O-N 3.05Å; F651-Q654 VanDerWaalsContact O-N 3.15Å; F651-M655 HydrophobicContact CD1-CG 4.31Å; F651-M655 HydrophobicContact CD2-CG 4.43Å; F651-M655 HydrophobicContact CE1-CG 3.82Å; F651-M655 HydrophobicContact CE2-CG 3.96Å; F651-M655 HydrophobicContact CE2-SD 4.49Å; F651-M655 HydrophobicContact CZ-CG 3.63Å; F651-M655 HydrophobicContact CZ-SD 4.27Å; F651-M655 PolarHBondContact O-N 3.42Å |
| 652 | T | 56.4 | Low | 52.3 | Low | 50 Ų | 50 | 77.7 Ų | 77.7 | 31% | 0.307 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 179.9 | -62.4 | 0 | 0 | 0 | 0 | 112 | N648 D649 Q654 M655 K656 | N648-T652 WeakPolarHBondContact O-CB 3.4Å; N648-T652 PolarHBondContact O-N 2.9Å; N648-T652 PolarHBondContact O-OG1 2.9Å; D649-T652 WeakPolarHBondContact O-CB 3.46Å; D649-T652 PolarHBondContact O-N 3.38Å; D649-T652 VanDerWaalsContact O-N 3.16Å; T652-Q654 PolarHBondContact O-N 3.47Å; T652-M655 PolarHBondContact O-N 3.3Å; T652-K656 HydrophobicContact CG2-CD 4.34Å; T652-K656 WeakPolarHBondContact O-CB 3.16Å; T652-K656 VanDerWaalsContact O-CG 3.31Å; T652-K656 WeakPolarHBondContact O-CG 3.3Å; T652-K656 PolarHBondContact O-N 3.37Å |
| 653 | V | 60.7 | Low | 54.8 | Low | 44 Ų | 44 | 71.5 Ų | 71.5 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 175.6 | 169.6 | 0 | 0 | 0 | 0 | 112.1 | D649 F651 K656 R657 | D649-V653 WeakPolarHBondContact O-CG2 3.47Å; D649-V653 PolarHBondContact O-N 3.4Å; F651-V653 VanDerWaalsContact C-N 3.34Å; F651-V653 PolarHBondContact O-N 3.15Å; V653-K656 PolarHBondContact O-N 3.17Å; V653-R657 WeakPolarHBondContact O-CG 3.35Å; V653-R657 PolarHBondContact O-N 2.88Å |
| 654 | Q | 57.3 | Low | 57 | Low | 35 Ų | 35 | 70.3 Ų | 70.3 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.9 | -39.8 | 179.2 | -68.1 | -167.8 | -8.1 | 0 | 0 | 112.2 | L611 F651 T652 R657 L658 | L611-Q654 VanDerWaalsContact CB-OE1 3.26Å; L611-Q654 HydrophobicContact CD1-CB 4.39Å; L611-Q654 VanDerWaalsContact CD1-OE1 3.23Å; F651-Q654 PolarHBondContact O-N 3.05Å; F651-Q654 VanDerWaalsContact O-N 3.15Å; T652-Q654 PolarHBondContact O-N 3.47Å; Q654-R657 PolarHBondContact O-N 3.08Å; Q654-L658 PolarHBondContact O-N 3.32Å; Q654-L658 VanDerWaalsContact O-N 3.12Å |
| 655 | M | 64.5 | Low | 59.3 | Low | 13 Ų | 13 | 66.3 Ų | 66.3 | 6% | 0.064 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 173.7 | -72.9 | -65.9 | -76.1 | 0 | 0 | 112.3 | L597 F651 T652 L658 L659 | L597-M655 HydrophobicContact CB-CE 3.87Å; L597-M655 HydrophobicContact CD1-CE 4.32Å; L597-M655 HydrophobicContact CD2-CE 4.5Å; L597-M655 HydrophobicContact CG-CE 4.47Å; F651-M655 HydrophobicContact CD1-CG 4.31Å; F651-M655 HydrophobicContact CD2-CG 4.43Å; F651-M655 HydrophobicContact CE1-CG 3.82Å; F651-M655 HydrophobicContact CE2-CG 3.96Å; F651-M655 HydrophobicContact CE2-SD 4.49Å; F651-M655 HydrophobicContact CZ-CG 3.63Å; F651-M655 HydrophobicContact CZ-SD 4.27Å; F651-M655 PolarHBondContact O-N 3.42Å; T652-M655 PolarHBondContact O-N 3.3Å; M655-L658 PolarHBondContact O-N 3.23Å; M655-L659 VanDerWaalsContact O-CB 3.31Å; M655-L659 WeakPolarHBondContact O-CB 3.47Å; M655-L659 PolarHBondContact O-N 2.96Å |
| 656 | K | 65.2 | Low | 61.5 | Low | 39 Ų | 39 | 59 Ų | 59 | 17% | 0.17 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 170.8 | -77.5 | 175.9 | -176 | 178.1 | 0 | 112.3 | L594 T652 V653 L658 L659 F660 E698 | L594-K656 HydrophobicContact CD1-CG 3.93Å; L594-K656 HydrophobicContact CD2-CG 3.87Å; T652-K656 HydrophobicContact CG2-CD 4.34Å; T652-K656 WeakPolarHBondContact O-CB 3.16Å; T652-K656 VanDerWaalsContact O-CG 3.31Å; T652-K656 WeakPolarHBondContact O-CG 3.3Å; T652-K656 PolarHBondContact O-N 3.37Å; V653-K656 PolarHBondContact O-N 3.17Å; K656-L658 PolarHBondContact O-N 3.4Å; K656-L659 WeakPolarHBondContact O-CB 3.4Å; K656-L659 PolarHBondContact O-N 3.08Å; K656-F660 HydrophobicContact CB-CD2 4.44Å; K656-F660 HydrophobicContact CB-CE2 4.09Å; K656-F660 WeakPolarHBondContact O-CD2 3.35Å; K656-F660 WeakPolarHBondContact O-CG 3.31Å; K656-F660 PolarHBondContact O-N 2.93Å; K656-E698 HydrophobicContact CD-CG 4.18Å; K656-E698 WeakPolarHBondContact CD-OE1 3.46Å; K656-E698 WeakPolarHBondContact CE-OE1 3.33Å; K656-E698 IonicContact NZ-OE1 3.99Å; K656-E698 PolarHBondContact NZ-OE1 3.11Å |
| 657 | R | 65.8 | Low | 63.6 | Low | 88 Ų | 88 | 56.8 Ų | 56.8 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.7 | -72.4 | 177.6 | -179.8 | -165.6 | -1.1 | 112.4 | V653 Q654 F660 T661 S694 | V653-R657 WeakPolarHBondContact O-CG 3.35Å; V653-R657 PolarHBondContact O-N 2.88Å; Q654-R657 PolarHBondContact O-N 3.08Å; R657-F660 PolarHBondContact O-N 2.88Å; R657-T661 PolarHBondContact O-N 2.89Å; R657-T661 PolarHBondContact O-OG1 2.94Å; R657-S694 PolarHBondContact NE-OG 2.96Å; R657-S694 PolarHBondContact NH1-OG 3.24Å; R657-S694 PolarHBondContact NH2-OG 2.86Å |
| 658 | L | 68.5 | Low | 65.5 | Low | 27 Ų | 27 | 59.7 Ų | 59.7 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 176.8 | -173.1 | 64.6 | 0 | 0 | 0 | 111.7 | M538 P544 L548 Q654 M655 K656 T661 C662 | M538-L658 HydrophobicContact SD-CD2 4.3Å; P544-L658 HydrophobicContact CB-CD1 4.01Å; P544-L658 HydrophobicContact CG-CD1 4.49Å; L548-L658 HydrophobicContact CD2-CD1 4.08Å; L548-L658 HydrophobicContact CD2-CD2 3.68Å; L548-L658 HydrophobicContact CD2-CG 3.74Å; Q654-L658 PolarHBondContact O-N 3.32Å; Q654-L658 VanDerWaalsContact O-N 3.12Å; M655-L658 PolarHBondContact O-N 3.23Å; K656-L658 PolarHBondContact O-N 3.4Å; L658-T661 PolarHBondContact O-N 3.16Å; L658-C662 PolarHBondContact O-N 3.05Å; L658-C662 VanDerWaalsContact O-N 3.12Å; L658-C662 PolarHBondContact O-SG 3.2Å |
| 659 | L | 72.4 | Confident | 67.4 | Low | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59 | -51.9 | 173.7 | 173.9 | 60.4 | 0 | 0 | 0 | 112 | L552 L590 A593 L594 L597 M655 K656 T661 C662 I663 | L552-L659 HydrophobicContact CD1-CD1 3.85Å; L552-L659 HydrophobicContact CD2-CD1 3.48Å; L552-L659 VanDerWaalsContact CD2-CD1 3.48Å; L552-L659 HydrophobicContact CG-CD1 4.29Å; L590-L659 HydrophobicContact CD1-CD2 3.56Å; L590-L659 HydrophobicContact CD1-CG 4.11Å; L590-L659 HydrophobicContact CG-CD2 3.93Å; A593-L659 HydrophobicContact CB-CD1 3.98Å; A593-L659 HydrophobicContact CB-CD2 4.07Å; L594-L659 HydrophobicContact CD2-CD2 3.71Å; L594-L659 HydrophobicContact CG-CD2 3.82Å; L597-L659 HydrophobicContact CD1-CB 3.91Å; L597-L659 HydrophobicContact CD1-CD1 4.02Å; L597-L659 HydrophobicContact CD1-CD2 4.3Å; L597-L659 HydrophobicContact CD1-CG 4.31Å; M655-L659 VanDerWaalsContact O-CB 3.31Å; M655-L659 WeakPolarHBondContact O-CB 3.47Å; M655-L659 PolarHBondContact O-N 2.96Å; K656-L659 WeakPolarHBondContact O-CB 3.4Å; K656-L659 PolarHBondContact O-N 3.08Å; L659-T661 VanDerWaalsContact C-N 3.32Å; L659-T661 PolarHBondContact O-N 3.33Å; L659-C662 PolarHBondContact O-N 3.34Å; L659-C662 VanDerWaalsContact O-N 3.16Å; L659-I663 HydrophobicContact CD1-CD1 3.7Å; L659-I663 HydrophobicContact CD1-CG1 4.09Å; L659-I663 HydrophobicContact CG-CD1 3.85Å; L659-I663 WeakPolarHBondContact O-CG1 3.26Å; L659-I663 PolarHBondContact O-N 3.26Å |
| 660 | F | 73.8 | Confident | 69.1 | Low | 20 Ų | 20 | 57.2 Ų | 57.2 | 9% | 0.088 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 178.2 | -67.9 | -46 | 0 | 0 | 0 | 112.5 | L590 K656 R657 C662 I663 K664 L697 E698 L701 | L590-F660 HydrophobicContact CD1-CD1 4.18Å; L590-F660 HydrophobicContact CD1-CE1 3.62Å; L590-F660 HydrophobicContact CD1-CZ 4.41Å; L590-F660 HydrophobicContact CD2-CE1 3.56Å; L590-F660 HydrophobicContact CD2-CZ 3.51Å; L590-F660 HydrophobicContact CG-CE1 4.26Å; K656-F660 HydrophobicContact CB-CD2 4.44Å; K656-F660 HydrophobicContact CB-CE2 4.09Å; K656-F660 WeakPolarHBondContact O-CD2 3.35Å; K656-F660 WeakPolarHBondContact O-CG 3.31Å; K656-F660 PolarHBondContact O-N 2.93Å; R657-F660 PolarHBondContact O-N 2.88Å; F660-C662 VanDerWaalsContact C-N 3.32Å; F660-C662 PolarHBondContact O-N 2.94Å; F660-I663 PolarHBondContact O-N 3.01Å; F660-K664 WeakPolarHBondContact O-CB 3.34Å; F660-K664 PolarHBondContact O-N 3.37Å; F660-L697 HydrophobicContact CB-CD2 4.36Å; F660-L697 HydrophobicContact CD1-CD2 4.4Å; F660-L697 HydrophobicContact CD2-CB 4.28Å; F660-L697 HydrophobicContact CE2-CB 4.11Å; F660-L697 HydrophobicContact CG-CD2 4.25Å; F660-L697 HydrophobicContact CZ-CB 4.31Å; F660-E698 HydrophobicContact CE2-CG 4.08Å; F660-L701 HydrophobicContact CD1-CD1 3.72Å; F660-L701 HydrophobicContact CE1-CB 4Å; F660-L701 HydrophobicContact CE1-CD1 3.36Å; F660-L701 HydrophobicContact CE1-CG 4.27Å; F660-L701 HydrophobicContact CZ-CD1 4.24Å |
| 661 | T | 71.8 | Confident | 71 | Confident | 81 Ų | 81 | 49.5 Ų | 49.5 | 50% | 0.497 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.9 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | P544 R657 L658 L659 D665 | P544-T661 HydrophobicContact CG-CG2 4.46Å; R657-T661 PolarHBondContact O-N 2.89Å; R657-T661 PolarHBondContact O-OG1 2.94Å; L658-T661 PolarHBondContact O-N 3.16Å; L659-T661 VanDerWaalsContact C-N 3.32Å; L659-T661 PolarHBondContact O-N 3.33Å; T661-D665 PolarHBondContact O-N 3.46Å |
| 662 | C | 74.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -72 | -39.4 | 178.8 | -63.6 | 0 | 0 | 0 | 0 | 113 | K549 L552 L658 L659 F660 D665 L666 | K549-C662 HydrophobicContact CG-CB 4.46Å; L552-C662 HydrophobicContact CD1-CB 3.37Å; L658-C662 PolarHBondContact O-N 3.05Å; L658-C662 VanDerWaalsContact O-N 3.12Å; L658-C662 PolarHBondContact O-SG 3.2Å; L659-C662 PolarHBondContact O-N 3.34Å; L659-C662 VanDerWaalsContact O-N 3.16Å; F660-C662 VanDerWaalsContact C-N 3.32Å; F660-C662 PolarHBondContact O-N 2.94Å; C662-D665 PolarHBondContact O-N 3.07Å; C662-L666 WeakPolarHBondContact O-CB 3.48Å; C662-L666 WeakPolarHBondContact O-CG 3.3Å; C662-L666 PolarHBondContact O-N 3.48Å |
| 663 | I | 76.3 | Confident | 73.5 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 174.3 | -72 | 170.9 | 0 | 0 | 0 | 110.3 | L590 L659 F660 D665 L666 Q667 I672 L706 | L590-I663 HydrophobicContact CD1-CD1 4.03Å; L659-I663 HydrophobicContact CD1-CD1 3.7Å; L659-I663 HydrophobicContact CD1-CG1 4.09Å; L659-I663 HydrophobicContact CG-CD1 3.85Å; L659-I663 WeakPolarHBondContact O-CG1 3.26Å; L659-I663 PolarHBondContact O-N 3.26Å; F660-I663 PolarHBondContact O-N 3.01Å; I663-D665 VanDerWaalsContact C-N 3.29Å; I663-D665 PolarHBondContact O-N 3.43Å; I663-L666 PolarHBondContact O-N 2.78Å; I663-Q667 WeakPolarHBondContact O-CB 3.4Å; I663-Q667 PolarHBondContact O-N 3.33Å; I663-I672 HydrophobicContact CG2-CD1 4.06Å; I663-L706 HydrophobicContact CD1-CD1 3.95Å; I663-L706 HydrophobicContact CG1-CD1 4.5Å; I663-L706 HydrophobicContact CG2-CD2 4.42Å |
| 664 | K | 73.4 | Confident | 74.1 | Confident | 117 Ų | 117 | 47.5 Ų | 47.5 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.8 | -39 | 179.8 | -167.9 | 170.5 | -168.5 | 169.8 | 0 | 112.1 | F660 K668 | F660-K664 WeakPolarHBondContact O-CB 3.34Å; F660-K664 PolarHBondContact O-N 3.37Å; K664-K668 VanDerWaalsContact O-CB 3.25Å; K664-K668 WeakPolarHBondContact O-CB 3.48Å; K664-K668 PolarHBondContact O-N 3.17Å |
| 665 | D | 74.4 | Confident | 74.3 | Confident | 48 Ų | 48 | 47.2 Ų | 47.2 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -76.5 | -32.9 | 178.8 | -133.1 | 34.4 | 0 | 0 | 0 | 112.7 | K549 T661 C662 I663 H669 | K549-D665 IonicContact NZ-OD2 3.45Å; K549-D665 PolarHBondContact NZ-OD2 2.72Å; T661-D665 PolarHBondContact O-N 3.46Å; C662-D665 PolarHBondContact O-N 3.07Å; I663-D665 VanDerWaalsContact C-N 3.29Å; I663-D665 PolarHBondContact O-N 3.43Å; D665-H669 PolarHBondContact O-CD2 3.29Å; D665-H669 VanDerWaalsContact O-CD2 3.31Å; D665-H669 PolarHBondContact O-N 2.54Å |
| 666 | L | 80.5 | Confident | 73.9 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.5 | -39.7 | 171.5 | -74.7 | 172.2 | 0 | 0 | 0 | 112.1 | K549 L552 L553 C662 I663 H669 E670 F671 I672 P722 | K549-L666 HydrophobicContact CB-CD2 4.37Å; L552-L666 HydrophobicContact CB-CD1 4.13Å; L553-L666 HydrophobicContact CB-CD1 4.38Å; L553-L666 HydrophobicContact CB-CD2 4.36Å; C662-L666 WeakPolarHBondContact O-CB 3.48Å; C662-L666 WeakPolarHBondContact O-CG 3.3Å; C662-L666 PolarHBondContact O-N 3.48Å; I663-L666 PolarHBondContact O-N 2.78Å; L666-H669 CarbonylContact O-C 3.53Å; L666-H669 PolarHBondContact O-N 3.46Å; L666-E670 PolarHBondContact O-N 2.98Å; L666-F671 HydrophobicContact CB-CB 4.37Å; L666-F671 HydrophobicContact CD2-CB 4.07Å; L666-F671 HydrophobicContact CD2-CD2 3.73Å; L666-F671 HydrophobicContact CD2-CG 4.17Å; L666-F671 PolarHBondContact O-N 2.85Å; L666-I672 HydrophobicContact CB-CD1 3.75Å; L666-I672 HydrophobicContact CB-CG1 3.9Å; L666-I672 HydrophobicContact CD1-CD1 4.3Å; L666-P722 HydrophobicContact CD2-CG 4.35Å |
| 667 | Q | 80.6 | Confident | 73.2 | Confident | 77 Ų | 77 | 52.1 Ų | 52.1 | 36% | 0.36 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 176.1 | -173.8 | -177.6 | 5.5 | 0 | 0 | 111.4 | I663 H669 E670 I672 | I663-Q667 WeakPolarHBondContact O-CB 3.4Å; I663-Q667 PolarHBondContact O-N 3.33Å; Q667-H669 PolarHBondContact O-N 3.03Å; Q667-E670 PolarHBondContact O-N 3.31Å; Q667-I672 HydrophobicContact CB-CG1 4.29Å |
| 668 | K | 78.9 | Confident | 72.3 | Confident | 150 Ų | 150 | 49.8 Ų | 49.8 | 65% | 0.652 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -57.6 | -27 | 175.2 | 179.1 | -172.2 | 171.4 | -162 | 0 | 113.7 | K664 | K664-K668 VanDerWaalsContact O-CB 3.25Å; K664-K668 WeakPolarHBondContact O-CB 3.48Å; K664-K668 PolarHBondContact O-N 3.17Å |
| 669 | H | 80.6 | Confident | 71 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 22.2 | 178.2 | -74.5 | -66.2 | 0 | 0 | 0 | 113.1 | D665 L666 Q667 F671 L726 | D665-H669 PolarHBondContact O-CD2 3.29Å; D665-H669 VanDerWaalsContact O-CD2 3.31Å; D665-H669 PolarHBondContact O-N 2.54Å; L666-H669 CarbonylContact O-C 3.53Å; L666-H669 PolarHBondContact O-N 3.46Å; Q667-H669 PolarHBondContact O-N 3.03Å; H669-F671 HydrophobicContact CB-CD2 3.74Å; H669-F671 HydrophobicContact CB-CE2 3.65Å; H669-F671 PolarHBondContact O-N 2.95Å; H669-F671 VanDerWaalsContact O-N 3.1Å; H669-L726 HydrophobicContact CB-CD1 4.1Å; H669-L726 HydrophobicContact CB-CD2 4.45Å |
| 670 | E | 83.1 | Confident | 69.2 | Low | 106 Ų | 106 | 55.7 Ų | 55.7 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 32.9 | 175 | -56.8 | -172.3 | 155.5 | 0 | 0 | 114.2 | L666 Q667 T709 | L666-E670 PolarHBondContact O-N 2.98Å; Q667-E670 PolarHBondContact O-N 3.31Å; E670-T709 VanDerWaalsContact O-CB 3.3Å; E670-T709 WeakPolarHBondContact O-CB 3.36Å; E670-T709 WeakPolarHBondContact O-CG2 3.38Å; E670-T709 PolarHBondContact O-OG1 3.4Å |
| 671 | F | 81.7 | Confident | 67.3 | Low | 3 Ų | 3 | 62.7 Ų | 62.7 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -85.7 | -31.5 | 172.9 | -68.9 | -60.8 | 0 | 0 | 0 | 112.7 | L553 L666 H669 T709 L711 G712 V715 P722 L726 | L553-F671 HydrophobicContact CD1-CB 3.96Å; L553-F671 HydrophobicContact CD2-CB 4.31Å; L553-F671 HydrophobicContact CD2-CD1 4.11Å; L553-F671 HydrophobicContact CD2-CG 4.26Å; L666-F671 HydrophobicContact CB-CB 4.37Å; L666-F671 HydrophobicContact CD2-CB 4.07Å; L666-F671 HydrophobicContact CD2-CD2 3.73Å; L666-F671 HydrophobicContact CD2-CG 4.17Å; L666-F671 PolarHBondContact O-N 2.85Å; H669-F671 HydrophobicContact CB-CD2 3.74Å; H669-F671 HydrophobicContact CB-CE2 3.65Å; H669-F671 PolarHBondContact O-N 2.95Å; H669-F671 VanDerWaalsContact O-N 3.1Å; F671-T709 PolarHBondContact O-N 2.9Å; F671-T709 PolarHBondContact O-OG1 3.39Å; F671-L711 HydrophobicContact CD1-CD2 4.36Å; F671-L711 HydrophobicContact CD1-CG 4.02Å; F671-L711 HydrophobicContact CE1-CD2 4.08Å; F671-L711 HydrophobicContact CE1-CG 3.83Å; F671-G712 WeakPolarHBondContact O-CA 3.49Å; F671-V715 HydrophobicContact CD1-CG2 4.42Å; F671-V715 HydrophobicContact CE1-CB 4.42Å; F671-V715 HydrophobicContact CE1-CG2 3.69Å; F671-P722 HydrophobicContact CD2-CB 4.36Å; F671-P722 HydrophobicContact CE2-CB 3.67Å; F671-P722 HydrophobicContact CZ-CB 3.8Å; F671-P722 WeakPolarHBondContact CZ-O 3.4Å; F671-L726 HydrophobicContact CE2-CD1 4.05Å; F671-L726 HydrophobicContact CE2-CG 4.22Å; F671-L726 HydrophobicContact CZ-CD1 4.1Å; F671-L726 HydrophobicContact CZ-CD2 4.34Å; F671-L726 HydrophobicContact CZ-CG 3.79Å |
| 672 | I | 80.9 | Confident | 65.7 | Low | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 152.5 | -179.8 | 63 | -179.4 | 0 | 0 | 0 | 110.2 | L553 C556 I663 L666 Q667 Q707 | L553-I672 HydrophobicContact CD1-CG2 3.85Å; C556-I672 HydrophobicContact CB-CG2 3.89Å; I663-I672 HydrophobicContact CG2-CD1 4.06Å; L666-I672 HydrophobicContact CB-CD1 3.75Å; L666-I672 HydrophobicContact CB-CG1 3.9Å; L666-I672 HydrophobicContact CD1-CD1 4.3Å; Q667-I672 HydrophobicContact CB-CG1 4.29Å; I672-Q707 CarbonylContact C-O 3.44Å; I672-Q707 VanDerWaalsContact CA-O 3.25Å; I672-Q707 WeakPolarHBondContact CA-O 3.46Å |
| 673 | Y | 77.8 | Confident | 63.8 | Low | 86 Ų | 86 | 64.9 Ų | 64.9 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 163.6 | 163.8 | 59.5 | -85.3 | 0 | 0 | 0 | 110 | Q707 T709 | Y673-Q707 HydrophobicContact CD1-CB 4.41Å; Y673-Q707 HydrophobicContact CD2-CB 4.1Å; Y673-Q707 HydrophobicContact CE1-CB 3.92Å; Y673-Q707 HydrophobicContact CE2-CB 3.55Å; Y673-Q707 HydrophobicContact CE2-CG 4.1Å; Y673-Q707 HydrophobicContact CG-CB 4.49Å; Y673-Q707 VanDerWaalsContact CZ-CB 3.45Å; Y673-Q707 PolarHBondContact N-O 3.41Å; Y673-Q707 PolarHBondContact O-N 3.42Å; Y673-Q707 PolarHBondContact OH-OE1 2.85Å; Y673-T709 HydrophobicContact CD1-CG2 4.01Å |
| 674 | I | 72.8 | Confident | 61.9 | Low | 17 Ų | 17 | 70.2 Ų | 70.2 | 9% | 0.087 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.2 | 179.2 | -51.5 | -177.4 | 0 | 0 | 0 | 107.1 | L701 A704 L706 | I674-L701 HydrophobicContact CD1-CD2 4.31Å; I674-A704 HydrophobicContact CG2-CB 3.69Å; I674-L706 HydrophobicContact CD1-CD2 4.47Å; I674-L706 HydrophobicContact CG1-CD2 3.98Å |
| 675 | D | 63.1 | Low | 60 | Low | 30 Ų | 30 | 66 Ų | 66 | 16% | 0.16 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 119.8 | 174 | 175.9 | 2.5 | 0 | 0 | 0 | 108.9 | S677 R705 Q707 | D675-S677 VanDerWaalsContact OD1-CB 3.28Å; D675-S677 WeakPolarHBondContact OD1-CB 3.27Å; D675-S677 PolarHBondContact OD1-N 3.28Å; D675-S677 PolarHBondContact OD1-OG 3.3Å; D675-S677 PolarHBondContact OD2-OG 3.4Å; D675-R705 HydrophobicContact CB-CB 4.2Å; D675-R705 PolarHBondContact N-O 3.39Å; D675-Q707 HydrophobicContact CB-CG 4.31Å; D675-Q707 PolarHBondContact OD2-NE2 3.21Å |
| 676 | Q | 55.3 | Low | 58.3 | Low | 70 Ų | 70 | 66.2 Ų | 66.2 | 33% | 0.327 | 35% | 0.35 | S | S | . | . | trans | -94 | -1.6 | -174.7 | -62.8 | -174.8 | -5.5 | 0 | 0 | 113.1 | T678 N1282 | Q676-T678 PolarHBondContact O-N 3.01Å; Q676-N1282 PolarHBondContact OE1-ND2 3.27Å | ||
| 677 | S | 51.2 | Low | 56.1 | Low | 85 Ų | 85 | 69.6 Ų | 69.6 | 59% | 0.594 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15.2 | -173.8 | 62.9 | 0 | 0 | 0 | 0 | 114.5 | D675 | D675-S677 VanDerWaalsContact OD1-CB 3.28Å; D675-S677 WeakPolarHBondContact OD1-CB 3.27Å; D675-S677 PolarHBondContact OD1-N 3.28Å; D675-S677 PolarHBondContact OD1-OG 3.3Å; D675-S677 PolarHBondContact OD2-OG 3.4Å |
| 678 | T | 45.9 | Very low | 53.8 | Low | 38 Ų | 38 | 70 Ų | 70 | 23% | 0.233 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 7.8 | -169.6 | 56.9 | 0 | 0 | 0 | 0 | 116.1 | Q676 P680 G703 R705 | Q676-T678 PolarHBondContact O-N 3.01Å; T678-P680 WeakPolarHBondContact O-CD 3.47Å; T678-G703 PolarHBondContact OG1-O 2.91Å; T678-R705 HydrophobicContact CG2-CG 4.37Å |
| 679 | C | 41 | Very low | 51.4 | Low | 41 Ų | 41 | 66.8 Ų | 66.8 | 28% | 0.277 | 36% | 0.36 | S | S | . | . | trans | -101.1 | 97.1 | -179.7 | -76.9 | 0 | 0 | 0 | 0 | 113 | A704 | C679-A704 PolarHBondContact SG-N 2.74Å; C679-A704 VanDerWaalsContact SG-N 3.42Å | ||
| 680 | P | 34.8 | Very low | 49 | Very low | 111 Ų | 111 | 68.4 Ų | 68.4 | 72% | 0.721 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 134.6 | 165.8 | 30 | -33.3 | 0 | 0 | 0 | 110.6 | T678 | T678-P680 WeakPolarHBondContact O-CD 3.47Š|
| 681 | N | 35 | Very low | 46.5 | Very low | 168 Ų | 168 | 72.5 Ų | 72.5 | 90% | 0.898 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 45.5 | 170.3 | -56.2 | -16.1 | 0 | 0 | 0 | 117.5 | ||
| 682 | V | 36.9 | Very low | 44.2 | Very low | 62 Ų | 62 | 75.5 Ų | 75.5 | 38% | 0.376 | 42% | 0.415 | S | S | . | . | trans | -125.2 | 133.2 | 155.3 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | V686 | V682-V686 HydrophobicContact CG1-CG2 4.19Š| ||
| 683 | S | 36.8 | Very low | 42.1 | Very low | 64 Ų | 64 | 81.3 Ų | 81.3 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | trans | -69 | 159.3 | 176.2 | 80.8 | 0 | 0 | 0 | 0 | 110.7 | N685 E1667 | S683-N685 PolarHBondContact O-N 3.35Å; S683-E1667 WeakPolarHBondContact CB-OE2 3.38Å; S683-E1667 PolarHBondContact OG-OE2 3.4Å | ||
| 684 | K | 35.7 | Very low | 40.1 | Very low | 121 Ų | 121 | 79.4 Ų | 79.4 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 5 | -155.6 | -104.8 | -170.3 | 169.4 | -166 | 0 | 115.7 | N1282 E1667 | K684-N1282 WeakPolarHBondContact CE-OD1 3.4Å; K684-N1282 PolarHBondContact NZ-OD1 2.61Å; K684-E1667 PolarHBondContact N-OE1 3.22Å |
| 685 | N | 34.1 | Very low | 38.5 | Very low | 30 Ų | 30 | 85.2 Ų | 85.2 | 16% | 0.16 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.7 | 11.2 | -147 | -78.7 | -75.4 | 0 | 0 | 0 | 116.4 | S683 I687 L1665 N1666 E1667 | S683-N685 PolarHBondContact O-N 3.35Å; N685-I687 PolarHBondContact O-N 3.32Å; N685-L1665 PolarHBondContact OD1-O 3.11Å; N685-N1666 PolarHBondContact O-OD1 2.85Å; N685-N1666 VanDerWaalsContact O-OD1 3.13Å; N685-N1666 VanDerWaalsContact OD1-CA 3.26Å; N685-N1666 WeakPolarHBondContact OD1-CA 3.46Å; N685-E1667 HydrophobicContact CB-CB 3.49Å; N685-E1667 VanDerWaalsContact CB-CB 3.49Å; N685-E1667 HydrophobicContact CB-CG 3.72Å; N685-E1667 VanDerWaalsContact ND2-CG 3.33Å; N685-E1667 WeakPolarHBondContact ND2-CG 3.24Å; N685-E1667 PolarHBondContact ND2-OE1 3.01Å; N685-E1667 PolarHBondContact OD1-N 3.5Å; N685-E1667 VanDerWaalsContact OD1-N 3.12Å |
| 686 | V | 36.8 | Very low | 37.4 | Very low | 52 Ų | 52 | 85.8 Ų | 85.8 | 32% | 0.315 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -73.1 | -8.1 | 170.9 | -176.9 | 0 | 0 | 0 | 0 | 112.4 | V682 | V682-V686 HydrophobicContact CG1-CG2 4.19Š|
| 687 | I | 36 | Very low | 36.6 | Very low | 72 Ų | 72 | 84.9 Ų | 84.9 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -107 | -17.7 | -163.2 | -65.4 | 171.5 | 0 | 0 | 0 | 114 | N685 | N685-I687 PolarHBondContact O-N 3.32Š|
| 688 | N | 30.7 | Very low | 36.1 | Very low | 85 Ų | 85 | 82.8 Ų | 82.8 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -94 | 8.8 | -174.3 | -99.2 | -14.2 | 0 | 0 | 0 | 114.5 | L1665 N1666 | N688-L1665 PolarHBondContact ND2-O 3.23Å; N688-N1666 VanDerWaalsContact C-ND2 3.32Å; N688-N1666 WeakPolarHBondContact CA-OD1 3.28Å; N688-N1666 WeakPolarHBondContact CB-OD1 3.42Å; N688-N1666 PolarHBondContact N-OD1 2.91Å; N688-N1666 PolarHBondContact O-ND2 3.46Å |
| 689 | M | 30.5 | Very low | 36 | Very low | 83 Ų | 83 | 86.4 Ų | 86.4 | 41% | 0.409 | 48% | 0.478 | S | S | . | . | trans | -87.9 | 127.8 | 178.1 | -84 | -157.3 | -89.6 | 0 | 0 | 113.1 | F691 V692 N1666 | M689-F691 VanDerWaalsContact C-N 3.3Å; M689-V692 HydrophobicContact CB-CG2 3.28Å; M689-V692 HydrophobicContact CE-CG2 3.98Å; M689-V692 HydrophobicContact CG-CG2 4.2Å; M689-V692 HydrophobicContact SD-CG2 4.06Å; M689-N1666 PolarHBondContact N-OD1 2.86Å | ||
| 690 | S | 29.9 | Very low | 36.2 | Very low | 109 Ų | 109 | 84.7 Ų | 84.7 | 76% | 0.762 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -76.6 | -14.2 | 176.4 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 691 | F | 30.6 | Very low | 36.7 | Very low | 192 Ų | 192 | 80.1 Ų | 80.1 | 84% | 0.842 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -138.7 | 103.5 | 178.2 | -116 | -97.5 | 0 | 0 | 0 | 109.5 | M689 | M689-F691 VanDerWaalsContact C-N 3.3Š|
| 692 | V | 32.4 | Very low | 37.3 | Very low | 66 Ų | 66 | 77.4 Ų | 77.4 | 40% | 0.4 | 42% | 0.421 | S | S | . | . | trans | -146.3 | 148.5 | 166.9 | -155.2 | 0 | 0 | 0 | 0 | 109.1 | M689 S696 | M689-V692 HydrophobicContact CB-CG2 3.28Å; M689-V692 HydrophobicContact CE-CG2 3.98Å; M689-V692 HydrophobicContact CG-CG2 4.2Å; M689-V692 HydrophobicContact SD-CG2 4.06Å; V692-S696 WeakPolarHBondContact CG1-OG 3.28Å | ||
| 693 | D | 36 | Very low | 37.9 | Very low | 126 Ų | 126 | 75.1 Ų | 75.1 | 67% | 0.674 | 41% | 0.41 | S | S | * | . | trans | -66.7 | 150 | -179.5 | -127.4 | -46.3 | 0 | 0 | 0 | 113.8 | Q695 S696 | D693-Q695 PolarHBondContact O-N 2.9Å; D693-S696 PolarHBondContact O-N 3.49Å; D693-S696 PolarHBondContact O-OG 3.35Å | ||
| 694 | S | 36.6 | Very low | 38.7 | Very low | 46 Ų | 46 | 72.3 Ų | 72.3 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 27.7 | -166 | 55.9 | 0 | 0 | 0 | 0 | 115.5 | R657 | R657-S694 PolarHBondContact NE-OG 2.96Å; R657-S694 PolarHBondContact NH1-OG 3.24Å; R657-S694 PolarHBondContact NH2-OG 2.86Å |
| 695 | Q | 39.5 | Very low | 40 | Very low | 139 Ų | 139 | 68.9 Ų | 68.9 | 65% | 0.65 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | -26.7 | 172.6 | -71.6 | -178.1 | -49.3 | 0 | 0 | 112.8 | D693 E698 | D693-Q695 PolarHBondContact O-N 2.9Å; Q695-E698 PolarHBondContact O-N 2.93Å |
| 696 | S | 39.6 | Very low | 41.6 | Very low | 41 Ų | 41 | 68.1 Ų | 68.1 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -32 | -176.8 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | V692 D693 E698 V699 | V692-S696 WeakPolarHBondContact CG1-OG 3.28Å; D693-S696 PolarHBondContact O-N 3.49Å; D693-S696 PolarHBondContact O-OG 3.35Å; S696-E698 PolarHBondContact O-N 3.03Å; S696-V699 PolarHBondContact O-N 3.29Å |
| 697 | L | 39 | Very low | 43.2 | Very low | 52 Ų | 52 | 67 Ų | 67 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.9 | -22.1 | 176.3 | -91.1 | 83 | 0 | 0 | 0 | 113.7 | F660 V699 L701 | F660-L697 HydrophobicContact CB-CD2 4.36Å; F660-L697 HydrophobicContact CD1-CD2 4.4Å; F660-L697 HydrophobicContact CD2-CB 4.28Å; F660-L697 HydrophobicContact CE2-CB 4.11Å; F660-L697 HydrophobicContact CG-CD2 4.25Å; F660-L697 HydrophobicContact CZ-CB 4.31Å; L697-V699 PolarHBondContact O-N 3.21Å; L697-L701 HydrophobicContact CD2-CD1 4.23Å |
| 698 | E | 39.6 | Very low | 45.2 | Very low | 41 Ų | 41 | 63.5 Ų | 63.5 | 19% | 0.192 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.4 | -22.5 | 178.6 | -70.7 | -164.1 | 80.5 | 0 | 0 | 112.9 | K656 F660 Q695 S696 N702 | K656-E698 HydrophobicContact CD-CG 4.18Å; K656-E698 WeakPolarHBondContact CD-OE1 3.46Å; K656-E698 WeakPolarHBondContact CE-OE1 3.33Å; K656-E698 IonicContact NZ-OE1 3.99Å; K656-E698 PolarHBondContact NZ-OE1 3.11Å; F660-E698 HydrophobicContact CE2-CG 4.08Å; Q695-E698 PolarHBondContact O-N 2.93Å; S696-E698 PolarHBondContact O-N 3.03Å; E698-N702 PolarHBondContact O-ND2 3.4Å |
| 699 | V | 43.9 | Very low | 47.7 | Very low | 114 Ų | 114 | 61 Ų | 61 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -88.6 | -36.3 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | S696 L697 | S696-V699 PolarHBondContact O-N 3.29Å; L697-V699 PolarHBondContact O-N 3.21Å |
| 700 | S | 45.3 | Very low | 50.3 | Low | 5 Ų | 5 | 59.1 Ų | 59.1 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -83.6 | -17.1 | -172 | 64.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 701 | L | 46.9 | Very low | 53.1 | Low | 15 Ų | 15 | 54.7 Ų | 54.7 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 2.2 | -174 | -77.7 | 154.5 | 0 | 0 | 0 | 114.5 | F660 I674 L697 G703 A704 | F660-L701 HydrophobicContact CD1-CD1 3.72Å; F660-L701 HydrophobicContact CE1-CB 4Å; F660-L701 HydrophobicContact CE1-CD1 3.36Å; F660-L701 HydrophobicContact CE1-CG 4.27Å; F660-L701 HydrophobicContact CZ-CD1 4.24Å; I674-L701 HydrophobicContact CD1-CD2 4.31Å; L697-L701 HydrophobicContact CD2-CD1 4.23Å; L701-G703 VanDerWaalsContact C-N 3.35Å; L701-G703 PolarHBondContact O-N 2.64Å; L701-A704 HydrophobicContact CD2-CB 4.06Å |
| 702 | N | 47.1 | Very low | 55.6 | Low | 110 Ų | 110 | 45.6 Ų | 45.6 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -78.7 | 79.3 | 168.4 | -76.7 | -27.3 | 0 | 0 | 0 | 110.8 | E698 | E698-N702 PolarHBondContact O-ND2 3.4Š|
| 703 | G | 48.4 | Very low | 57.8 | Low | 14 Ų | 14 | 46.2 Ų | 46.2 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 147.3 | -18.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | T678 L701 | T678-G703 PolarHBondContact OG1-O 2.91Å; L701-G703 VanDerWaalsContact C-N 3.35Å; L701-G703 PolarHBondContact O-N 2.64Å |
| 704 | A | 53.9 | Low | 60.2 | Low | 6 Ų | 6 | 40.2 Ų | 40.2 | 5% | 0.05 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -80.2 | 131.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I674 C679 L701 | I674-A704 HydrophobicContact CG2-CB 3.69Å; C679-A704 PolarHBondContact SG-N 2.74Å; C679-A704 VanDerWaalsContact SG-N 3.42Å; L701-A704 HydrophobicContact CD2-CB 4.06Å |
| 705 | R | 63.6 | Low | 62.4 | Low | 48 Ų | 48 | 38.1 Ų | 38.1 | 18% | 0.181 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 128.3 | 177.7 | -72.2 | 176.7 | 173.8 | -173.7 | -0.1 | 110.4 | E588 D675 T678 | E588-R705 HydrophobicContact CB-CG 4.26Å; E588-R705 IonicContact OE1-CZ 3.18Å; E588-R705 IonicContact OE1-NH2 2.7Å; E588-R705 PolarHBondContact OE1-NH2 2.76Å; E588-R705 IonicContact OE2-CZ 3.8Å; E588-R705 IonicContact OE2-NE 3.67Å; E588-R705 PolarHBondContact OE2-NE 2.81Å; E588-R705 IonicContact OE2-NH2 2.75Å; E588-R705 PolarHBondContact OE2-NH2 2.65Å; D675-R705 HydrophobicContact CB-CB 4.2Å; D675-R705 PolarHBondContact N-O 3.39Å; T678-R705 HydrophobicContact CG2-CG 4.37Å |
| 706 | L | 68 | Low | 64.1 | Low | 15 Ų | 15 | 31.9 Ų | 31.9 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.1 | 174.1 | -60.4 | 176.2 | 0 | 0 | 0 | 109.5 | C556 I663 I674 | C556-L706 HydrophobicContact CB-CB 4.49Å; I663-L706 HydrophobicContact CD1-CD1 3.95Å; I663-L706 HydrophobicContact CG1-CD1 4.5Å; I663-L706 HydrophobicContact CG2-CD2 4.42Å; I674-L706 HydrophobicContact CD1-CD2 4.47Å; I674-L706 HydrophobicContact CG1-CD2 3.98Å |
| 707 | Q | 70 | Confident | 65.8 | Low | 27 Ų | 27 | 30.4 Ų | 30.4 | 13% | 0.126 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 141.9 | 179 | -59.4 | -167.3 | 19.4 | 0 | 0 | 111.2 | Y560 I672 Y673 D675 | Y560-Q707 HydrophobicContact CD2-CB 3.99Å; Y560-Q707 HydrophobicContact CD2-CG 3.97Å; Y560-Q707 HydrophobicContact CE2-CB 4.47Å; I672-Q707 CarbonylContact C-O 3.44Å; I672-Q707 VanDerWaalsContact CA-O 3.25Å; I672-Q707 WeakPolarHBondContact CA-O 3.46Å; Y673-Q707 HydrophobicContact CD1-CB 4.41Å; Y673-Q707 HydrophobicContact CD2-CB 4.1Å; Y673-Q707 HydrophobicContact CE1-CB 3.92Å; Y673-Q707 HydrophobicContact CE2-CB 3.55Å; Y673-Q707 HydrophobicContact CE2-CG 4.1Å; Y673-Q707 HydrophobicContact CG-CB 4.49Å; Y673-Q707 VanDerWaalsContact CZ-CB 3.45Å; Y673-Q707 PolarHBondContact N-O 3.41Å; Y673-Q707 PolarHBondContact O-N 3.42Å; Y673-Q707 PolarHBondContact OH-OE1 2.85Å; D675-Q707 HydrophobicContact CB-CG 4.31Å; D675-Q707 PolarHBondContact OD2-NE2 3.21Å |
| 708 | P | 77 | Confident | 67.7 | Low | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 145.9 | -179.8 | 36.4 | -37.6 | 0 | 0 | 0 | 112.4 | I557 Y560 R713 | I557-P708 HydrophobicContact CB-CG 4.34Å; I557-P708 HydrophobicContact CD1-CB 4.26Å; I557-P708 HydrophobicContact CG1-CB 3.39Å; I557-P708 HydrophobicContact CG1-CG 3.68Å; Y560-P708 HydrophobicContact CD1-CG 3.87Å; Y560-P708 VanDerWaalsContact CG-CD 3.41Å; Y560-P708 HydrophobicContact CG-CG 3.84Å; P708-R713 HydrophobicContact CB-CG 4.09Å; P708-R713 HydrophobicContact CG-CG 3.93Å; P708-R713 PolarHBondContact O-NH1 2.72Å |
| 709 | T | 84 | Confident | 69.4 | Low | 32 Ų | 32 | 26.8 Ų | 26.8 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | trans | -75.9 | 173.6 | 168.2 | 67 | 0 | 0 | 0 | 0 | 111.4 | E670 F671 Y673 L711 G712 R713 | E670-T709 VanDerWaalsContact O-CB 3.3Å; E670-T709 WeakPolarHBondContact O-CB 3.36Å; E670-T709 WeakPolarHBondContact O-CG2 3.38Å; E670-T709 PolarHBondContact O-OG1 3.4Å; F671-T709 PolarHBondContact O-N 2.9Å; F671-T709 PolarHBondContact O-OG1 3.39Å; Y673-T709 HydrophobicContact CD1-CG2 4.01Å; T709-L711 PolarHBondContact O-N 2.88Å; T709-L711 PolarHBondContact OG1-N 3.36Å; T709-G712 PolarHBondContact O-N 2.87Å; T709-G712 PolarHBondContact OG1-N 3.48Å; T709-R713 WeakPolarHBondContact O-CG 3.44Å; T709-R713 PolarHBondContact O-N 3.39Å | ||
| 710 | A | 84.4 | Confident | 71 | Confident | 44 Ų | 44 | 21.5 Ų | 21.5 | 36% | 0.364 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -58.4 | -37.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R713 A714 L873 | A710-R713 PolarHBondContact O-N 2.96Å; A710-A714 VanDerWaalsContact O-CB 3.3Å; A710-A714 WeakPolarHBondContact O-CB 3.26Å; A710-A714 PolarHBondContact O-N 2.87Å; A710-L873 HydrophobicContact CB-CD2 4.28Å |
| 711 | L | 89.1 | Confident | 72.5 | Confident | 16 Ų | 16 | 21.6 Ų | 21.6 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.4 | -42.1 | 175.2 | 179.9 | 60.2 | 0 | 0 | 0 | 111.8 | F671 T709 A714 V715 Y729 F869 | F671-L711 HydrophobicContact CD1-CD2 4.36Å; F671-L711 HydrophobicContact CD1-CG 4.02Å; F671-L711 HydrophobicContact CE1-CD2 4.08Å; F671-L711 HydrophobicContact CE1-CG 3.83Å; T709-L711 PolarHBondContact O-N 2.88Å; T709-L711 PolarHBondContact OG1-N 3.36Å; L711-A714 PolarHBondContact O-N 2.71Å; L711-V715 HydrophobicContact CD1-CG2 4.44Å; L711-V715 WeakPolarHBondContact O-CG2 3.41Å; L711-V715 PolarHBondContact O-N 3.42Å; L711-Y729 HydrophobicContact CD1-CD2 3.76Å; L711-Y729 HydrophobicContact CD1-CE2 4.4Å; L711-Y729 HydrophobicContact CD1-CG 4.09Å; L711-F869 HydrophobicContact CD1-CE2 4.04Å; L711-F869 HydrophobicContact CD1-CZ 3.69Å |
| 712 | G | 83.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.3 | -52.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I557 F671 T709 A714 V715 L716 | I557-G712 WeakPolarHBondContact CD1-O 3.18Å; F671-G712 WeakPolarHBondContact O-CA 3.49Å; T709-G712 PolarHBondContact O-N 2.87Å; T709-G712 PolarHBondContact OG1-N 3.48Å; G712-A714 PolarHBondContact O-N 3.02Å; G712-V715 PolarHBondContact O-N 2.85Å; G712-L716 PolarHBondContact O-N 2.9Å; G712-L716 VanDerWaalsContact O-N 3.17Å |
| 713 | R | 79.5 | Confident | 75.7 | Confident | 79 Ų | 79 | 20.3 Ų | 20.3 | 30% | 0.298 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.2 | -66.9 | -170.4 | -62.8 | -95.6 | 10.3 | 111.9 | I557 P708 T709 A710 V715 L716 S717 | I557-R713 HydrophobicContact CG1-CG 4.34Å; I557-R713 HydrophobicContact CG2-CG 4.42Å; P708-R713 HydrophobicContact CB-CG 4.09Å; P708-R713 HydrophobicContact CG-CG 3.93Å; P708-R713 PolarHBondContact O-NH1 2.72Å; T709-R713 WeakPolarHBondContact O-CG 3.44Å; T709-R713 PolarHBondContact O-N 3.39Å; A710-R713 PolarHBondContact O-N 2.96Å; R713-V715 PolarHBondContact O-N 3.43Å; R713-L716 PolarHBondContact O-N 3.3Å; R713-L716 VanDerWaalsContact O-N 3.16Å; R713-S717 PolarHBondContact O-N 3.43Å; R713-S717 PolarHBondContact O-OG 3.39Å |
| 714 | A | 84.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | A710 L711 G712 S718 F869 R872 L873 | A710-A714 VanDerWaalsContact O-CB 3.3Å; A710-A714 WeakPolarHBondContact O-CB 3.26Å; A710-A714 PolarHBondContact O-N 2.87Å; L711-A714 PolarHBondContact O-N 2.71Å; G712-A714 PolarHBondContact O-N 3.02Å; A714-S718 WeakPolarHBondContact O-CB 3.45Å; A714-S718 PolarHBondContact O-N 2.86Å; A714-S718 VanDerWaalsContact O-N 3.08Å; A714-S718 PolarHBondContact O-OG 2.97Å; A714-F869 HydrophobicContact CB-CD2 3.72Å; A714-F869 HydrophobicContact CB-CE2 3.79Å; A714-F869 HydrophobicContact CB-CG 4.4Å; A714-R872 HydrophobicContact CB-CB 3.78Å; A714-L873 HydrophobicContact CB-CD1 4.44Å; A714-L873 HydrophobicContact CB-CD2 3.86Å; A714-L873 HydrophobicContact CB-CG 3.76Å |
| 715 | V | 83.5 | Confident | 78.9 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 174.5 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | L553 F671 L711 G712 R713 S718 S719 L720 F869 | L553-V715 HydrophobicContact CD2-CB 4.25Å; L553-V715 HydrophobicContact CD2-CG1 4.03Å; F671-V715 HydrophobicContact CD1-CG2 4.42Å; F671-V715 HydrophobicContact CE1-CB 4.42Å; F671-V715 HydrophobicContact CE1-CG2 3.69Å; L711-V715 HydrophobicContact CD1-CG2 4.44Å; L711-V715 WeakPolarHBondContact O-CG2 3.41Å; L711-V715 PolarHBondContact O-N 3.42Å; G712-V715 PolarHBondContact O-N 2.85Å; R713-V715 PolarHBondContact O-N 3.43Å; V715-S718 WeakPolarHBondContact CA-OG 3.4Å; V715-S718 PolarHBondContact O-OG 3.39Å; V715-S718 VanDerWaalsContact O-OG 3.06Å; V715-S719 PolarHBondContact O-N 3.36Å; V715-L720 HydrophobicContact CG1-CB 4.28Å; V715-L720 WeakPolarHBondContact CG1-O 3.49Å; V715-L720 PolarHBondContact O-N 2.94Å; V715-F869 HydrophobicContact CG2-CE2 3.83Å |
| 716 | L | 75.4 | Confident | 80 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.047 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68 | -52.4 | 178.8 | -175.1 | 69.7 | 0 | 0 | 0 | 112.7 | N141 E554 I557 G712 R713 S718 S719 | N141-L716 VanDerWaalsContact ND2-CD1 3.26Å; N141-L716 WeakPolarHBondContact ND2-CD1 3.27Å; N141-L716 PolarHBondContact ND2-O 3.15Å; E554-L716 HydrophobicContact CB-CD1 3.59Å; E554-L716 VanDerWaalsContact CD-CD1 3.5Å; E554-L716 HydrophobicContact CG-CD1 3.38Å; E554-L716 WeakPolarHBondContact OE1-CD1 3.48Å; I557-L716 HydrophobicContact CB-CD2 3.75Å; I557-L716 HydrophobicContact CD1-CB 3.42Å; I557-L716 VanDerWaalsContact CD1-CB 3.42Å; I557-L716 HydrophobicContact CD1-CD2 3.56Å; I557-L716 HydrophobicContact CD1-CG 4.05Å; I557-L716 HydrophobicContact CG1-CD2 4.24Å; I557-L716 HydrophobicContact CG2-CD2 3.66Å; G712-L716 PolarHBondContact O-N 2.9Å; G712-L716 VanDerWaalsContact O-N 3.17Å; R713-L716 PolarHBondContact O-N 3.3Å; R713-L716 VanDerWaalsContact O-N 3.16Å; L716-S718 VanDerWaalsContact C-N 3.32Å; L716-S718 PolarHBondContact O-N 3.42Å; L716-S719 WeakPolarHBondContact O-CA 3.35Å; L716-S719 PolarHBondContact O-N 2.88Å |
| 717 | S | 75.7 | Confident | 80.9 | Confident | 10 Ų | 10 | 23.4 Ų | 23.4 | 7% | 0.07 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | -176.4 | -49.3 | 0 | 0 | 0 | 0 | 111.2 | E145 R713 S719 R872 | E145-S717 WeakPolarHBondContact OE1-CA 3.42Å; E145-S717 VanDerWaalsContact OE1-CB 3.31Å; E145-S717 WeakPolarHBondContact OE1-CB 3.5Å; E145-S717 PolarHBondContact OE1-OG 3.37Å; E145-S717 PolarHBondContact OE2-OG 3.02Å; R713-S717 PolarHBondContact O-N 3.43Å; R713-S717 PolarHBondContact O-OG 3.39Å; S717-S719 PolarHBondContact O-N 2.84Å; S717-R872 PolarHBondContact OG-NE 3.07Å |
| 718 | S | 78.2 | Confident | 81.8 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -9 | 172.2 | 63.7 | 0 | 0 | 0 | 0 | 113.7 | A714 V715 L716 L720 M865 | A714-S718 WeakPolarHBondContact O-CB 3.45Å; A714-S718 PolarHBondContact O-N 2.86Å; A714-S718 VanDerWaalsContact O-N 3.08Å; A714-S718 PolarHBondContact O-OG 2.97Å; V715-S718 WeakPolarHBondContact CA-OG 3.4Å; V715-S718 PolarHBondContact O-OG 3.39Å; V715-S718 VanDerWaalsContact O-OG 3.06Å; L716-S718 VanDerWaalsContact C-N 3.32Å; L716-S718 PolarHBondContact O-N 3.42Å; S718-L720 PolarHBondContact O-N 3.03Å; S718-L720 WeakPolarHBondContact OG-CG 3.32Å; S718-M865 WeakPolarHBondContact CB-O 3.37Å; S718-M865 VanDerWaalsContact O-CB 3.27Å; S718-M865 WeakPolarHBondContact O-CB 3.24Å; S718-M865 WeakPolarHBondContact O-CE 3.47Å; S718-M865 VanDerWaalsContact O-CG 3.24Å; S718-M865 WeakPolarHBondContact O-CG 3.39Å |
| 719 | S | 75.7 | Confident | 82.6 | Confident | 15 Ų | 15 | 25.5 Ų | 25.5 | 11% | 0.105 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 24.4 | -176.2 | -62.3 | 0 | 0 | 0 | 0 | 114.4 | R550 V715 L716 S717 M865 | R550-S719 PolarHBondContact NH1-O 3.42Å; R550-S719 PolarHBondContact NH2-O 2.96Å; V715-S719 PolarHBondContact O-N 3.36Å; L716-S719 WeakPolarHBondContact O-CA 3.35Å; L716-S719 PolarHBondContact O-N 2.88Å; S717-S719 PolarHBondContact O-N 2.84Å; S719-M865 VanDerWaalsContact O-CE 3.28Å; S719-M865 WeakPolarHBondContact O-CE 3.43Å |
| 720 | L | 77.4 | Confident | 82.8 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | trans | -74.5 | 161.6 | 172.9 | -69.6 | 171.6 | 0 | 0 | 0 | 111.2 | R550 V715 S718 H724 V728 Y862 M865 F869 | R550-L720 PolarHBondContact NH1-O 3.22Å; V715-L720 HydrophobicContact CG1-CB 4.28Å; V715-L720 WeakPolarHBondContact CG1-O 3.49Å; V715-L720 PolarHBondContact O-N 2.94Å; S718-L720 PolarHBondContact O-N 3.03Å; S718-L720 WeakPolarHBondContact OG-CG 3.32Å; L720-H724 HydrophobicContact CD2-CB 4.39Å; L720-V728 HydrophobicContact CD1-CB 4.29Å; L720-V728 HydrophobicContact CD1-CG1 4.27Å; L720-V728 HydrophobicContact CD1-CG2 4.14Å; L720-Y862 HydrophobicContact CD2-CD2 4.38Å; L720-Y862 HydrophobicContact CD2-CE2 3.97Å; L720-M865 HydrophobicContact CD2-CE 3.74Å; L720-M865 HydrophobicContact CG-CE 4.15Å; L720-F869 HydrophobicContact CD1-CD2 4.07Å; L720-F869 HydrophobicContact CD1-CG 4.49Å | ||
| 721 | G | 76.6 | Confident | 83.1 | Confident | 7 Ų | 7 | 27 Ų | 27 | 7% | 0.072 | 13% | 0.131 | C | C | . | . | trans | -87.4 | 150.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110 | I723 H724 G725 | G721-I723 VanDerWaalsContact C-N 3.32Å; G721-I723 PolarHBondContact O-N 2.84Å; G721-I723 VanDerWaalsContact O-N 3.16Å; G721-H724 CarbonylContact O-C 3.5Å; G721-H724 WeakPolarHBondContact O-CA 3.19Å; G721-H724 WeakPolarHBondContact O-CB 3.27Å; G721-H724 PolarHBondContact O-N 3.36Å; G721-G725 PolarHBondContact O-N 3.44Å | ||
| 722 | P | 79.8 | Confident | 83.2 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 4% | 0.039 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -49.5 | -45.6 | -174.7 | -31.3 | 35.9 | 0 | 0 | 0 | 114.8 | K549 R550 L553 L666 F671 H724 G725 L726 | K549-P722 HydrophobicContact CB-CG 4.4Å; R550-P722 HydrophobicContact CB-CG 4.39Å; L553-P722 HydrophobicContact CD2-CG 4.35Å; L666-P722 HydrophobicContact CD2-CG 4.35Å; F671-P722 HydrophobicContact CD2-CB 4.36Å; F671-P722 HydrophobicContact CE2-CB 3.67Å; F671-P722 HydrophobicContact CZ-CB 3.8Å; F671-P722 WeakPolarHBondContact CZ-O 3.4Å; P722-H724 PolarHBondContact O-N 3.11Å; P722-G725 WeakPolarHBondContact O-CA 3.36Å; P722-G725 PolarHBondContact O-N 2.91Å; P722-G725 VanDerWaalsContact O-N 3.15Å; P722-L726 PolarHBondContact O-N 3.06Å |
| 723 | I | 80.7 | Confident | 83.6 | Confident | 93 Ų | 93 | 27.6 Ų | 27.6 | 48% | 0.477 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 178.3 | -58.8 | 177.2 | 0 | 0 | 0 | 111.6 | G721 G725 L726 I727 | G721-I723 VanDerWaalsContact C-N 3.32Å; G721-I723 PolarHBondContact O-N 2.84Å; G721-I723 VanDerWaalsContact O-N 3.16Å; I723-G725 VanDerWaalsContact C-N 3.33Å; I723-L726 PolarHBondContact O-N 3.35Å; I723-I727 HydrophobicContact CG2-CD1 4.3Å; I723-I727 WeakPolarHBondContact O-CG1 3.09Å; I723-I727 PolarHBondContact O-N 3.31Å |
| 724 | H | 83 | Confident | 84 | Confident | 55 Ų | 55 | 30 Ų | 30 | 26% | 0.255 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -68.1 | -34.5 | 175.4 | -56.9 | 139.4 | 0 | 0 | 0 | 111.7 | L720 G721 P722 I727 V728 V754 | L720-H724 HydrophobicContact CD2-CB 4.39Å; G721-H724 CarbonylContact O-C 3.5Å; G721-H724 WeakPolarHBondContact O-CA 3.19Å; G721-H724 WeakPolarHBondContact O-CB 3.27Å; G721-H724 PolarHBondContact O-N 3.36Å; P722-H724 PolarHBondContact O-N 3.11Å; H724-I727 PolarHBondContact O-N 3.12Å; H724-V728 WeakPolarHBondContact O-CB 3.42Å; H724-V728 VanDerWaalsContact O-CG2 3.24Å; H724-V728 WeakPolarHBondContact O-CG2 3.03Å; H724-V728 PolarHBondContact O-N 3.43Å; H724-V754 HydrophobicContact CB-CG2 3.97Å |
| 725 | G | 86.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G721 P722 I723 V728 Y729 | G721-G725 PolarHBondContact O-N 3.44Å; P722-G725 WeakPolarHBondContact O-CA 3.36Å; P722-G725 PolarHBondContact O-N 2.91Å; P722-G725 VanDerWaalsContact O-N 3.15Å; I723-G725 VanDerWaalsContact C-N 3.33Å; G725-V728 PolarHBondContact O-N 3.02Å; G725-Y729 VanDerWaalsContact O-CB 3.31Å; G725-Y729 WeakPolarHBondContact O-CB 3.27Å; G725-Y729 PolarHBondContact O-N 3.17Å |
| 726 | L | 87.4 | Confident | 84.5 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 19% | 0.194 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 174.1 | -76 | 160.4 | 0 | 0 | 0 | 112.2 | H669 F671 P722 I723 V728 Y729 E730 | H669-L726 HydrophobicContact CB-CD1 4.1Å; H669-L726 HydrophobicContact CB-CD2 4.45Å; F671-L726 HydrophobicContact CE2-CD1 4.05Å; F671-L726 HydrophobicContact CE2-CG 4.22Å; F671-L726 HydrophobicContact CZ-CD1 4.1Å; F671-L726 HydrophobicContact CZ-CD2 4.34Å; F671-L726 HydrophobicContact CZ-CG 3.79Å; P722-L726 PolarHBondContact O-N 3.06Å; I723-L726 PolarHBondContact O-N 3.35Å; L726-V728 VanDerWaalsContact C-N 3.34Å; L726-V728 PolarHBondContact O-N 3.02Å; L726-Y729 PolarHBondContact O-N 3.16Å; L726-E730 PolarHBondContact O-N 3.33Å |
| 727 | I | 86.4 | Confident | 85.1 | Confident | 56 Ų | 56 | 41.5 Ų | 41.5 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 178.6 | -62.6 | 164.7 | 0 | 0 | 0 | 110.6 | I723 H724 E731 V754 | I723-I727 HydrophobicContact CG2-CD1 4.3Å; I723-I727 WeakPolarHBondContact O-CG1 3.09Å; I723-I727 PolarHBondContact O-N 3.31Å; H724-I727 PolarHBondContact O-N 3.12Å; I727-E731 PolarHBondContact O-N 3.18Å; I727-V754 HydrophobicContact CG2-CB 4.34Å; I727-V754 HydrophobicContact CG2-CG1 3.66Å |
| 728 | V | 89.9 | Confident | 85.6 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | L720 H724 G725 L726 L732 Y862 V866 F869 | L720-V728 HydrophobicContact CD1-CB 4.29Å; L720-V728 HydrophobicContact CD1-CG1 4.27Å; L720-V728 HydrophobicContact CD1-CG2 4.14Å; H724-V728 WeakPolarHBondContact O-CB 3.42Å; H724-V728 VanDerWaalsContact O-CG2 3.24Å; H724-V728 WeakPolarHBondContact O-CG2 3.03Å; H724-V728 PolarHBondContact O-N 3.43Å; G725-V728 PolarHBondContact O-N 3.02Å; L726-V728 VanDerWaalsContact C-N 3.34Å; L726-V728 PolarHBondContact O-N 3.02Å; V728-L732 HydrophobicContact CG1-CD1 3.49Å; V728-L732 VanDerWaalsContact CG1-CD1 3.49Å; V728-L732 HydrophobicContact CG1-CG 4.18Å; V728-L732 WeakPolarHBondContact O-CB 3.35Å; V728-L732 WeakPolarHBondContact O-CG 3.39Å; V728-L732 PolarHBondContact O-N 3.3Å; V728-Y862 HydrophobicContact CG2-CE2 4.42Å; V728-Y862 WeakPolarHBondContact CG2-OH 3.24Å; V728-V866 HydrophobicContact CG1-CG2 4.44Å; V728-F869 HydrophobicContact CG1-CD1 3.71Å; V728-F869 HydrophobicContact CG1-CE1 3.78Å; V728-F869 HydrophobicContact CG1-CG 4.21Å; V728-F869 HydrophobicContact CG1-CZ 4.35Å |
| 729 | Y | 92.9 | Very high | 86.1 | Confident | 67 Ų | 67 | 46.8 Ų | 46.8 | 26% | 0.263 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64 | -50.7 | 175.6 | -173.4 | -98.1 | 0 | 0 | 0 | 112.2 | L711 G725 L726 E731 L732 D733 F869 L873 W875 | L711-Y729 HydrophobicContact CD1-CD2 3.76Å; L711-Y729 HydrophobicContact CD1-CE2 4.4Å; L711-Y729 HydrophobicContact CD1-CG 4.09Å; G725-Y729 VanDerWaalsContact O-CB 3.31Å; G725-Y729 WeakPolarHBondContact O-CB 3.27Å; G725-Y729 PolarHBondContact O-N 3.17Å; L726-Y729 PolarHBondContact O-N 3.16Å; Y729-E731 VanDerWaalsContact C-N 3.32Å; Y729-E731 PolarHBondContact O-N 3.12Å; Y729-L732 PolarHBondContact O-N 3.18Å; Y729-D733 WeakPolarHBondContact O-CB 3.19Å; Y729-D733 PolarHBondContact O-N 3.31Å; Y729-F869 HydrophobicContact CD2-CE1 4.37Å; Y729-F869 HydrophobicContact CD2-CZ 4.26Å; Y729-L873 HydrophobicContact CD2-CD1 3.93Å; Y729-L873 HydrophobicContact CE2-CD1 4.13Å; Y729-W875 AromaticContact CD2-CH2 3.67Å; Y729-W875 HydrophobicContact CD2-CH2 3.67Å; Y729-W875 HydrophobicContact CD2-CZ2 4.18Å; Y729-W875 AromaticContact CE2-CH2 3.65Å; Y729-W875 HydrophobicContact CE2-CH2 3.65Å; Y729-W875 AromaticContact CE2-CZ2 3.69Å; Y729-W875 HydrophobicContact CE2-CZ2 3.69Å |
| 730 | E | 89.8 | Confident | 86.8 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 41% | 0.407 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.8 | -43.4 | 177.3 | -80.2 | -175.4 | -157.6 | 0 | 0 | 112.4 | L726 R734 R815 | L726-E730 PolarHBondContact O-N 3.33Å; E730-R734 VanDerWaalsContact O-CB 3.28Å; E730-R734 WeakPolarHBondContact O-CB 3.29Å; E730-R734 PolarHBondContact O-N 3.11Å; E730-R734 IonicContact OE2-NH2 3.71Å; E730-R815 IonicContact OE2-NH2 2.67Å; E730-R815 PolarHBondContact OE2-NH2 3.28Å |
| 731 | E | 89.3 | Confident | 87.4 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -77.9 | -43 | -178.1 | -74.6 | -167.8 | 146.2 | 0 | 0 | 113.2 | I727 Y729 D733 R734 A735 Y749 L750 R822 | I727-E731 PolarHBondContact O-N 3.18Å; Y729-E731 VanDerWaalsContact C-N 3.32Å; Y729-E731 PolarHBondContact O-N 3.12Å; E731-D733 VanDerWaalsContact C-N 3.35Å; E731-R734 PolarHBondContact O-N 3.21Å; E731-A735 WeakPolarHBondContact O-CB 3.36Å; E731-A735 PolarHBondContact O-N 2.98Å; E731-Y749 WeakPolarHBondContact OE1-CE1 3.45Å; E731-Y749 PolarHBondContact OE1-OH 2.84Å; E731-L750 HydrophobicContact CB-CD2 4.13Å; E731-R822 IonicContact OE1-CZ 2.75Å; E731-R822 IonicContact OE1-NH1 2.89Å; E731-R822 PolarHBondContact OE1-NH1 2.61Å; E731-R822 IonicContact OE2-CZ 2.68Å; E731-R822 IonicContact OE2-NH1 3.16Å; E731-R822 PolarHBondContact OE2-NH1 2.86Å; E731-R822 IonicContact OE2-NH2 2.65Å; E731-R822 PolarHBondContact OE2-NH2 3.2Å |
| 732 | L | 92.4 | Very high | 88 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 177.1 | -72.2 | 173.1 | 0 | 0 | 0 | 111.3 | V728 Y729 A735 R736 L750 V866 F869 W875 M878 I882 | V728-L732 HydrophobicContact CG1-CD1 3.49Å; V728-L732 VanDerWaalsContact CG1-CD1 3.49Å; V728-L732 HydrophobicContact CG1-CG 4.18Å; V728-L732 WeakPolarHBondContact O-CB 3.35Å; V728-L732 WeakPolarHBondContact O-CG 3.39Å; V728-L732 PolarHBondContact O-N 3.3Å; Y729-L732 PolarHBondContact O-N 3.18Å; L732-A735 CarbonylContact O-C 3.06Å; L732-A735 PolarHBondContact O-N 2.78Å; L732-R736 VanDerWaalsContact O-CG 3.27Å; L732-R736 WeakPolarHBondContact O-CG 3.48Å; L732-R736 PolarHBondContact O-N 2.88Å; L732-L750 HydrophobicContact CD2-CB 4.47Å; L732-L750 HydrophobicContact CD2-CD1 4.41Å; L732-L750 HydrophobicContact CD2-CD2 4.4Å; L732-V866 HydrophobicContact CD1-CG1 4.09Å; L732-V866 HydrophobicContact CD2-CG1 4.23Å; L732-F869 HydrophobicContact CD1-CD1 3.76Å; L732-F869 HydrophobicContact CD1-CE1 4.1Å; L732-W875 HydrophobicContact CB-CE3 4.39Å; L732-W875 HydrophobicContact CB-CH2 4.48Å; L732-W875 HydrophobicContact CB-CZ3 3.63Å; L732-W875 HydrophobicContact CD1-CZ3 4.14Å; L732-M878 HydrophobicContact CD2-CG 4.36Å; L732-I882 HydrophobicContact CD2-CD1 4.29Å |
| 733 | D | 90.8 | Very high | 88.6 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.4 | -39.5 | 176.7 | -165.9 | 71.5 | 0 | 0 | 0 | 112.1 | Y729 E731 A735 R736 R737 W875 | Y729-D733 WeakPolarHBondContact O-CB 3.19Å; Y729-D733 PolarHBondContact O-N 3.31Å; E731-D733 VanDerWaalsContact C-N 3.35Å; D733-A735 VanDerWaalsContact C-N 3.28Å; D733-A735 PolarHBondContact O-N 3.2Å; D733-R736 WeakPolarHBondContact O-CB 3.46Å; D733-R736 PolarHBondContact O-N 2.93Å; D733-R736 IonicContact OD1-CZ 3.56Å; D733-R736 IonicContact OD1-NH1 2.64Å; D733-R736 PolarHBondContact OD1-NH1 3.36Å; D733-R737 WeakPolarHBondContact O-CG 3.21Å; D733-R737 PolarHBondContact O-N 3.25Å; D733-R737 PolarHBondContact O-NE 3.1Å; D733-R737 IonicContact OD2-CZ 3.26Å; D733-R737 VanDerWaalsContact OD2-CZ 3.24Å; D733-R737 IonicContact OD2-NE 3.77Å; D733-R737 PolarHBondContact OD2-NE 3.28Å; D733-R737 IonicContact OD2-NH2 2.79Å; D733-R737 PolarHBondContact OD2-NH2 2.76Å; D733-W875 HydrophobicContact CB-CH2 4.25Å |
| 734 | R | 88.7 | Confident | 89.2 | Confident | 129 Ų | 129 | 53.1 Ų | 53.1 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.1 | -40.3 | 169.7 | -169 | -177.5 | -54.6 | 126.4 | 14 | 111.8 | E730 E731 R737 S738 | E730-R734 VanDerWaalsContact O-CB 3.28Å; E730-R734 WeakPolarHBondContact O-CB 3.29Å; E730-R734 PolarHBondContact O-N 3.11Å; E730-R734 IonicContact OE2-NH2 3.71Å; E731-R734 PolarHBondContact O-N 3.21Å; R734-R737 PolarHBondContact O-N 3.25Å; R734-S738 PolarHBondContact O-N 3.4Å |
| 735 | A | 89.1 | Confident | 89.8 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E731 L732 D733 R737 S738 I739 L750 M878 | E731-A735 WeakPolarHBondContact O-CB 3.36Å; E731-A735 PolarHBondContact O-N 2.98Å; L732-A735 CarbonylContact O-C 3.06Å; L732-A735 PolarHBondContact O-N 2.78Å; D733-A735 VanDerWaalsContact C-N 3.28Å; D733-A735 PolarHBondContact O-N 3.2Å; A735-R737 PolarHBondContact O-N 3.47Å; A735-R737 VanDerWaalsContact O-N 3.16Å; A735-S738 CarbonylContact O-C 3.52Å; A735-S738 PolarHBondContact O-N 3.46Å; A735-I739 WeakPolarHBondContact O-CB 3.47Å; A735-I739 PolarHBondContact O-N 2.95Å; A735-L750 HydrophobicContact CB-CD1 3.67Å; A735-L750 HydrophobicContact CB-CD2 4.07Å; A735-M878 HydrophobicContact CB-CE 4.32Å |
| 736 | R | 88.9 | Confident | 90.2 | Very high | 123 Ų | 123 | 51 Ų | 51 | 46% | 0.464 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56 | -31.1 | 173.7 | -73.2 | 167.3 | 78.3 | -129 | 5.4 | 112.2 | L732 D733 M878 | L732-R736 VanDerWaalsContact O-CG 3.27Å; L732-R736 WeakPolarHBondContact O-CG 3.48Å; L732-R736 PolarHBondContact O-N 2.88Å; D733-R736 WeakPolarHBondContact O-CB 3.46Å; D733-R736 PolarHBondContact O-N 2.93Å; D733-R736 IonicContact OD1-CZ 3.56Å; D733-R736 IonicContact OD1-NH1 2.64Å; D733-R736 PolarHBondContact OD1-NH1 3.36Å; R736-M878 HydrophobicContact CB-CE 4.47Å; R736-M878 HydrophobicContact CG-CE 3.59Å |
| 737 | R | 87.9 | Confident | 90.5 | Very high | 129 Ų | 129 | 49.7 Ų | 49.7 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -80.3 | -30.2 | 174.6 | -58.3 | 173.1 | -135.1 | -172.2 | -13.3 | 113.8 | D733 R734 A735 D1291 | D733-R737 WeakPolarHBondContact O-CG 3.21Å; D733-R737 PolarHBondContact O-N 3.25Å; D733-R737 PolarHBondContact O-NE 3.1Å; D733-R737 IonicContact OD2-CZ 3.26Å; D733-R737 VanDerWaalsContact OD2-CZ 3.24Å; D733-R737 IonicContact OD2-NE 3.77Å; D733-R737 PolarHBondContact OD2-NE 3.28Å; D733-R737 IonicContact OD2-NH2 2.79Å; D733-R737 PolarHBondContact OD2-NH2 2.76Å; R734-R737 PolarHBondContact O-N 3.25Å; A735-R737 PolarHBondContact O-N 3.47Å; A735-R737 VanDerWaalsContact O-N 3.16Å; R737-D1291 IonicContact CZ-OD1 3.07Å; R737-D1291 IonicContact CZ-OD2 2.65Å; R737-D1291 IonicContact NH1-OD1 3.88Å; R737-D1291 PolarHBondContact NH1-OD1 3.31Å; R737-D1291 IonicContact NH1-OD2 2.68Å; R737-D1291 PolarHBondContact NH1-OD2 3.25Å; R737-D1291 IonicContact NH2-OD2 3.17Å; R737-D1291 PolarHBondContact NH2-OD2 3.32Å |
| 738 | S | 85.7 | Confident | 90.9 | Very high | 66 Ų | 66 | 47 Ų | 47 | 46% | 0.462 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -155.9 | 84.5 | 177.6 | -154.3 | 0 | 0 | 0 | 0 | 113 | R734 A735 H746 | R734-S738 PolarHBondContact O-N 3.4Å; A735-S738 CarbonylContact O-C 3.52Å; A735-S738 PolarHBondContact O-N 3.46Å; S738-H746 PolarHBondContact O-CE1 3.41Å |
| 739 | I | 90.5 | Very high | 91.1 | Very high | 55 Ų | 55 | 47.1 Ų | 47.1 | 28% | 0.282 | 22% | 0.218 | S | C | . | . | trans | -96.5 | 147.3 | 176 | -165.6 | 158.6 | 0 | 0 | 0 | 111.4 | A735 L741 L747 L750 M878 | A735-I739 WeakPolarHBondContact O-CB 3.47Å; A735-I739 PolarHBondContact O-N 2.95Å; I739-L741 HydrophobicContact CD1-CD2 4.2Å; I739-L741 HydrophobicContact CG1-CD2 4.06Å; I739-L741 HydrophobicContact CG2-CD1 4.43Å; I739-L741 HydrophobicContact CG2-CD2 4.28Å; I739-L741 HydrophobicContact CG2-CG 4.14Å; I739-L747 HydrophobicContact CD1-CD2 3.73Å; I739-L750 HydrophobicContact CD1-CD1 4.39Å; I739-M878 HydrophobicContact CD1-CE 4.06Å; I739-M878 HydrophobicContact CD1-SD 4.06Å | ||
| 740 | A | 89.1 | Confident | 91.2 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | trans | -103.8 | 115.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | H746 V781 L784 | A740-H746 HydrophobicContact CB-CB 4.09Å; A740-H746 PolarHBondContact N-ND1 2.85Å; A740-V781 HydrophobicContact CB-CG2 3.61Å; A740-L784 HydrophobicContact CB-CD1 4.34Å | ||
| 741 | L | 89.6 | Confident | 91.3 | Very high | 115 Ų | 115 | 40.2 Ų | 40.2 | 60% | 0.602 | 19% | 0.188 | S | C | * | . | trans | -108.8 | -1.6 | 178.5 | -56.7 | 178.2 | 0 | 0 | 0 | 112.9 | I739 T743 L747 V881 | I739-L741 HydrophobicContact CD1-CD2 4.2Å; I739-L741 HydrophobicContact CG1-CD2 4.06Å; I739-L741 HydrophobicContact CG2-CD1 4.43Å; I739-L741 HydrophobicContact CG2-CD2 4.28Å; I739-L741 HydrophobicContact CG2-CG 4.14Å; L741-T743 PolarHBondContact O-N 3.24Å; L741-L747 HydrophobicContact CD2-CD1 4.47Å; L741-V881 HydrophobicContact CD2-CG1 4.28Å | ||
| 742 | D | 90.3 | Very high | 91.4 | Very high | 67 Ų | 67 | 39.2 Ų | 39.2 | 36% | 0.358 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -83.2 | 4 | 170.4 | 69 | -62.4 | 0 | 0 | 0 | 113.6 | S777 R780 K1765 | D742-S777 WeakPolarHBondContact OD2-CB 3.41Å; D742-S777 PolarHBondContact OD2-OG 3.02Å; D742-R780 VanDerWaalsContact CG-NH1 3.32Å; D742-R780 IonicContact OD1-CZ 2.74Å; D742-R780 IonicContact OD1-NH1 2.7Å; D742-R780 PolarHBondContact OD1-NH1 2.71Å; D742-R780 IonicContact OD1-NH2 3.68Å; D742-R780 IonicContact OD2-CZ 3.12Å; D742-R780 IonicContact OD2-NH1 3.12Å; D742-R780 PolarHBondContact OD2-NH1 2.91Å; D742-R780 VanDerWaalsContact OD2-NH1 3.09Å; D742-R780 IonicContact OD2-NH2 3.32Å; D742-R780 PolarHBondContact OD2-NH2 3.28Å; D742-K1765 IonicContact OD1-NZ 2.78Å |
| 743 | T | 92.1 | Very high | 91.2 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -157.6 | 141.7 | 164 | 172.8 | 0 | 0 | 0 | 0 | 108.7 | L741 L745 V781 Y830 | L741-T743 PolarHBondContact O-N 3.24Å; T743-L745 HydrophobicContact CG2-CB 4.43Å; T743-L745 PolarHBondContact O-N 3.24Å; T743-L745 PolarHBondContact OG1-N 3.48Å; T743-V781 HydrophobicContact CG2-CG2 3.61Å; T743-Y830 PolarHBondContact OG1-OH 3.31Å |
| 744 | E | 92.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 39.2 Ų | 39.2 | 27% | 0.271 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -6.7 | 179.8 | -53.4 | -177.3 | 131 | 0 | 0 | 113.2 | H746 L747 V748 Y830 F885 R888 | E744-H746 PolarHBondContact O-N 3.03Å; E744-H746 VanDerWaalsContact O-N 3.16Å; E744-L747 WeakPolarHBondContact O-CB 3.37Å; E744-L747 PolarHBondContact O-N 3.47Å; E744-V748 PolarHBondContact O-N 2.95Å; E744-Y830 HydrophobicContact CB-CE2 4.13Å; E744-F885 HydrophobicContact CB-CE1 4.36Å; E744-F885 HydrophobicContact CB-CZ 4.08Å; E744-F885 HydrophobicContact CG-CZ 4.3Å; E744-R888 IonicContact OE1-CZ 2.69Å; E744-R888 IonicContact OE1-NH1 2.93Å; E744-R888 PolarHBondContact OE1-NH1 3.35Å; E744-R888 IonicContact OE1-NH2 2.79Å; E744-R888 PolarHBondContact OE1-NH2 3.36Å; E744-R888 IonicContact OE2-CZ 3.6Å; E744-R888 IonicContact OE2-NH1 3.2Å; E744-R888 IonicContact OE2-NH2 3.59Å; E744-R888 PolarHBondContact OE2-NH2 2.7Å |
| 745 | L | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.7 | -31.8 | -177.7 | 177.9 | 59.4 | 0 | 0 | 0 | 113 | T743 V748 Y749 E778 V781 F823 A826 L827 Y830 | T743-L745 HydrophobicContact CG2-CB 4.43Å; T743-L745 PolarHBondContact O-N 3.24Å; T743-L745 PolarHBondContact OG1-N 3.48Å; L745-V748 PolarHBondContact O-N 2.83Å; L745-Y749 WeakPolarHBondContact O-CB 3.25Å; L745-Y749 PolarHBondContact O-N 3.06Å; L745-E778 HydrophobicContact CD2-CB 3.76Å; L745-E778 HydrophobicContact CD2-CG 3.89Å; L745-V781 HydrophobicContact CB-CG1 4.47Å; L745-V781 HydrophobicContact CD2-CG1 4.44Å; L745-V781 HydrophobicContact CG-CG1 4.12Å; L745-F823 HydrophobicContact CD2-CE2 4.03Å; L745-F823 HydrophobicContact CD2-CZ 3.89Å; L745-F823 HydrophobicContact CG-CE2 4.31Å; L745-A826 HydrophobicContact CD1-CB 4.47Å; L745-L827 HydrophobicContact CD1-CD2 3.87Å; L745-L827 HydrophobicContact CD2-CD2 3.8Å; L745-Y830 HydrophobicContact CB-CD1 4.28Å; L745-Y830 HydrophobicContact CB-CD2 4.16Å; L745-Y830 HydrophobicContact CB-CE1 4.32Å; L745-Y830 HydrophobicContact CB-CE2 4.22Å; L745-Y830 HydrophobicContact CB-CG 4.21Å; L745-Y830 HydrophobicContact CD1-CD1 4.09Å; L745-Y830 HydrophobicContact CD1-CG 3.89Å |
| 746 | H | 94.9 | Very high | 89.3 | Confident | 11 Ų | 11 | 39.5 Ų | 39.5 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.5 | -41 | 177.3 | -158.2 | 165.6 | 0 | 0 | 0 | 110.9 | S738 A740 E744 Y749 L750 V781 | S738-H746 PolarHBondContact O-CE1 3.41Å; A740-H746 HydrophobicContact CB-CB 4.09Å; A740-H746 PolarHBondContact N-ND1 2.85Å; E744-H746 PolarHBondContact O-N 3.03Å; E744-H746 VanDerWaalsContact O-N 3.16Å; H746-Y749 PolarHBondContact O-N 3.41Å; H746-L750 WeakPolarHBondContact O-CG 3.18Å; H746-L750 PolarHBondContact O-N 3.46Å; H746-L750 VanDerWaalsContact O-N 3.08Å; H746-V781 HydrophobicContact CB-CG1 3.69Å; H746-V781 HydrophobicContact CB-CG2 3.95Å |
| 747 | L | 94.5 | Very high | 88.1 | Confident | 9 Ų | 9 | 37.9 Ų | 37.9 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 173.1 | -62.7 | 170.2 | 0 | 0 | 0 | 110.6 | I739 L741 E744 Y749 L750 L751 V881 I882 F885 | I739-L747 HydrophobicContact CD1-CD2 3.73Å; L741-L747 HydrophobicContact CD2-CD1 4.47Å; E744-L747 WeakPolarHBondContact O-CB 3.37Å; E744-L747 PolarHBondContact O-N 3.47Å; L747-Y749 VanDerWaalsContact C-N 3.29Å; L747-Y749 PolarHBondContact O-N 3.45Å; L747-L750 PolarHBondContact O-N 3.15Å; L747-L751 WeakPolarHBondContact O-CB 3.41Å; L747-L751 WeakPolarHBondContact O-CG 3.49Å; L747-L751 PolarHBondContact O-N 2.89Å; L747-V881 HydrophobicContact CD1-CG1 3.58Å; L747-V881 HydrophobicContact CD2-CG1 3.58Å; L747-V881 HydrophobicContact CG-CG1 4.24Å; L747-I882 HydrophobicContact CD2-CG1 4.42Å; L747-F885 HydrophobicContact CB-CE1 4.49Å; L747-F885 HydrophobicContact CB-CE2 4.27Å; L747-F885 HydrophobicContact CB-CZ 4.09Å; L747-F885 HydrophobicContact CD1-CE2 3.73Å; L747-F885 HydrophobicContact CD1-CZ 3.87Å |
| 748 | V | 94.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -35 | 177.9 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | E744 L745 L751 T752 A826 L829 Y830 F885 | E744-V748 PolarHBondContact O-N 2.95Å; L745-V748 PolarHBondContact O-N 2.83Å; V748-L751 CarbonylContact O-C 3.57Å; V748-L751 PolarHBondContact O-N 3.16Å; V748-T752 PolarHBondContact O-N 2.87Å; V748-T752 PolarHBondContact O-OG1 2.95Å; V748-A826 WeakPolarHBondContact CG1-O 3.47Å; V748-L829 HydrophobicContact CG1-CB 3.55Å; V748-Y830 HydrophobicContact CG2-CD2 4.25Å; V748-F885 HydrophobicContact CG2-CD1 4.3Å; V748-F885 HydrophobicContact CG2-CE1 3.92Å |
| 749 | Y | 94.9 | Very high | 85.4 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -48.5 | 172.5 | 172.9 | -93 | 0 | 0 | 0 | 112.6 | E731 L745 H746 L747 L751 T752 I785 L819 R822 F823 A826 | E731-Y749 WeakPolarHBondContact OE1-CE1 3.45Å; E731-Y749 PolarHBondContact OE1-OH 2.84Å; L745-Y749 WeakPolarHBondContact O-CB 3.25Å; L745-Y749 PolarHBondContact O-N 3.06Å; H746-Y749 PolarHBondContact O-N 3.41Å; L747-Y749 VanDerWaalsContact C-N 3.29Å; L747-Y749 PolarHBondContact O-N 3.45Å; Y749-L751 PolarHBondContact O-N 3.19Å; Y749-T752 VanDerWaalsContact O-CB 3.31Å; Y749-T752 WeakPolarHBondContact O-CB 3.33Å; Y749-T752 PolarHBondContact O-N 3.3Å; Y749-I785 HydrophobicContact CD1-CD1 3.66Å; Y749-I785 HydrophobicContact CD1-CG1 3.93Å; Y749-I785 HydrophobicContact CD1-CG2 4.46Å; Y749-I785 HydrophobicContact CD2-CD1 3.81Å; Y749-I785 HydrophobicContact CD2-CG2 4.31Å; Y749-I785 HydrophobicContact CE1-CD1 4.25Å; Y749-I785 HydrophobicContact CE1-CG1 4.14Å; Y749-I785 HydrophobicContact CE1-CG2 3.98Å; Y749-I785 HydrophobicContact CE2-CD1 4.35Å; Y749-I785 HydrophobicContact CE2-CG2 3.78Å; Y749-I785 HydrophobicContact CG-CD1 3.43Å; Y749-I785 VanDerWaalsContact CG-CD1 3.43Å; Y749-I785 HydrophobicContact CG-CG1 4.21Å; Y749-L819 WeakPolarHBondContact OH-CD1 3.33Å; Y749-R822 HydrophobicContact CD2-CG 4.41Å; Y749-R822 HydrophobicContact CE2-CB 4.32Å; Y749-R822 HydrophobicContact CE2-CG 3.87Å; Y749-R822 PolarHBondContact O-NH2 3.39Å; Y749-R822 PolarHBondContact OH-NH1 2.78Å; Y749-F823 HydrophobicContact CD2-CB 4.44Å; Y749-F823 HydrophobicContact CD2-CD2 4.15Å; Y749-F823 HydrophobicContact CE2-CB 4.49Å; Y749-A826 HydrophobicContact CD2-CB 4.13Å |
| 750 | L | 93.6 | Very high | 83.9 | Confident | 7 Ų | 7 | 30.1 Ų | 30.1 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.5 | -34.3 | 177.7 | -66.3 | 166.4 | 0 | 0 | 0 | 111.4 | E731 L732 A735 I739 H746 L747 | E731-L750 HydrophobicContact CB-CD2 4.13Å; L732-L750 HydrophobicContact CD2-CB 4.47Å; L732-L750 HydrophobicContact CD2-CD1 4.41Å; L732-L750 HydrophobicContact CD2-CD2 4.4Å; A735-L750 HydrophobicContact CB-CD1 3.67Å; A735-L750 HydrophobicContact CB-CD2 4.07Å; I739-L750 HydrophobicContact CD1-CD1 4.39Å; H746-L750 WeakPolarHBondContact O-CG 3.18Å; H746-L750 PolarHBondContact O-N 3.46Å; H746-L750 VanDerWaalsContact O-N 3.08Å; L747-L750 PolarHBondContact O-N 3.15Å |
| 751 | L | 93.1 | Very high | 82.9 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 6 | 177.4 | -54.2 | 173.4 | 0 | 0 | 0 | 113.9 | L747 V748 Y749 Y862 A863 V866 I882 F885 L889 | L747-L751 WeakPolarHBondContact O-CB 3.41Å; L747-L751 WeakPolarHBondContact O-CG 3.49Å; L747-L751 PolarHBondContact O-N 2.89Å; V748-L751 CarbonylContact O-C 3.57Å; V748-L751 PolarHBondContact O-N 3.16Å; Y749-L751 PolarHBondContact O-N 3.19Å; L751-Y862 WeakPolarHBondContact O-CD1 3.42Å; L751-A863 HydrophobicContact CB-CB 4.28Å; L751-A863 HydrophobicContact CD1-CB 4.22Å; L751-A863 HydrophobicContact CD2-CB 4Å; L751-A863 HydrophobicContact CG-CB 4.39Å; L751-V866 HydrophobicContact CD2-CB 3.88Å; L751-V866 HydrophobicContact CD2-CG1 3.75Å; L751-V866 HydrophobicContact CD2-CG2 4.34Å; L751-I882 HydrophobicContact CD1-CG1 4.5Å; L751-I882 HydrophobicContact CD1-CG2 4.01Å; L751-I882 HydrophobicContact CD2-CB 4.48Å; L751-I882 HydrophobicContact CD2-CD1 4.19Å; L751-I882 HydrophobicContact CD2-CG1 4.28Å; L751-I882 HydrophobicContact CD2-CG2 3.45Å; L751-I882 VanDerWaalsContact CD2-CG2 3.45Å; L751-I882 HydrophobicContact CG-CG2 4.34Å; L751-F885 HydrophobicContact CD1-CB 3.37Å; L751-F885 HydrophobicContact CD1-CD1 4.15Å; L751-F885 HydrophobicContact CD1-CD2 4.21Å; L751-F885 HydrophobicContact CD1-CG 3.66Å; L751-L889 HydrophobicContact CB-CD1 4.22Å |
| 752 | T | 91.8 | Very high | 82.2 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -82.8 | 124.4 | 168.9 | -60.8 | 0 | 0 | 0 | 0 | 108.4 | V748 Y749 V754 R822 T825 A826 L829 | V748-T752 PolarHBondContact O-N 2.87Å; V748-T752 PolarHBondContact O-OG1 2.95Å; Y749-T752 VanDerWaalsContact O-CB 3.31Å; Y749-T752 WeakPolarHBondContact O-CB 3.33Å; Y749-T752 PolarHBondContact O-N 3.3Å; T752-V754 PolarHBondContact O-N 3.46Å; T752-R822 HydrophobicContact CG2-CG 3.78Å; T752-R822 PolarHBondContact O-NE 2.73Å; T752-R822 PolarHBondContact O-NH2 3.17Å; T752-T825 HydrophobicContact CG2-CG2 3.59Å; T752-A826 WeakPolarHBondContact OG1-CA 3.29Å; T752-A826 WeakPolarHBondContact OG1-CB 3.46Å; T752-L829 HydrophobicContact CG2-CD1 4.15Å |
| 753 | P | 87.9 | Confident | 81.9 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | trans | -63.6 | 130.7 | -170.7 | -23.6 | 33.9 | 0 | 0 | 0 | 114.4 | Y755 L756 A859 Y862 | P753-Y755 HydrophobicContact CB-CD1 4.35Å; P753-Y755 HydrophobicContact CB-CE1 3.92Å; P753-Y755 HydrophobicContact CB-CE2 4.1Å; P753-Y755 PolarHBondContact O-N 3.41Å; P753-L756 HydrophobicContact CB-CB 4.35Å; P753-L756 HydrophobicContact CB-CD1 3.97Å; P753-L756 HydrophobicContact CG-CD1 3.93Å; P753-A859 HydrophobicContact CG-CB 4.42Å; P753-Y862 HydrophobicContact CB-CD1 4.14Å; P753-Y862 HydrophobicContact CB-CD2 4.14Å; P753-Y862 HydrophobicContact CB-CE1 4.48Å; P753-Y862 HydrophobicContact CB-CE2 4.49Å; P753-Y862 HydrophobicContact CB-CG 3.93Å; P753-Y862 HydrophobicContact CG-CD1 3.95Å; P753-Y862 HydrophobicContact CG-CG 3.84Å | ||
| 754 | V | 82.7 | Confident | 81.7 | Confident | 26 Ų | 26 | 34.9 Ų | 34.9 | 16% | 0.158 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.5 | -179.4 | -69.8 | 0 | 0 | 0 | 0 | 115.1 | H724 I727 T752 Y862 | H724-V754 HydrophobicContact CB-CG2 3.97Å; I727-V754 HydrophobicContact CG2-CB 4.34Å; I727-V754 HydrophobicContact CG2-CG1 3.66Å; T752-V754 PolarHBondContact O-N 3.46Å; V754-Y862 WeakPolarHBondContact CG1-OH 3Å; V754-Y862 HydrophobicContact CG2-CE2 4.32Å |
| 755 | Y | 76 | Confident | 81.4 | Confident | 93 Ų | 93 | 37 Ų | 37 | 37% | 0.365 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 2.7 | -173.3 | 55.4 | -101.6 | 0 | 0 | 0 | 114.2 | P753 Y862 | P753-Y755 HydrophobicContact CB-CD1 4.35Å; P753-Y755 HydrophobicContact CB-CE1 3.92Å; P753-Y755 HydrophobicContact CB-CE2 4.1Å; P753-Y755 PolarHBondContact O-N 3.41Å; Y755-Y862 AromaticContact CE1-CD2 3.79Å; Y755-Y862 HydrophobicContact CE1-CD2 3.79Å; Y755-Y862 HydrophobicContact CE1-CE2 4.1Å |
| 756 | L | 70.6 | Confident | 81.1 | Confident | 43 Ų | 43 | 37.7 Ų | 37.7 | 23% | 0.225 | 20% | 0.201 | C | C | . | . | trans | -104.9 | 104.9 | -173 | -99.4 | 168.6 | 0 | 0 | 0 | 112.5 | P753 V758 L855 Q858 | P753-L756 HydrophobicContact CB-CB 4.35Å; P753-L756 HydrophobicContact CB-CD1 3.97Å; P753-L756 HydrophobicContact CG-CD1 3.93Å; L756-V758 HydrophobicContact CB-CG2 3.97Å; L756-V758 HydrophobicContact CD2-CG2 4.23Å; L756-V758 PolarHBondContact O-N 3.45Å; L756-L855 HydrophobicContact CD1-CD1 4.26Å; L756-Q858 HydrophobicContact CD1-CB 3.79Å; L756-Q858 HydrophobicContact CD1-CG 4.39Å | ||
| 757 | D | 63.5 | Low | 80.9 | Confident | 90 Ų | 90 | 37.1 Ų | 37.1 | 48% | 0.481 | 20% | 0.199 | S | C | . | . | trans | -81.3 | 49.6 | 177.1 | -161.6 | 32.2 | 0 | 0 | 0 | 113.1 | G759 A760 R821 | D757-G759 PolarHBondContact O-N 3Å; D757-G759 VanDerWaalsContact O-N 3.11Å; D757-A760 PolarHBondContact O-N 3.23Å; D757-A760 VanDerWaalsContact O-N 3.08Å; D757-R821 WeakPolarHBondContact OD1-CD 3.36Å; D757-R821 IonicContact OD1-CZ 3.79Å; D757-R821 IonicContact OD1-NE 2.65Å; D757-R821 IonicContact OD1-NH1 2.68Å; D757-R821 PolarHBondContact OD1-NH1 2.87Å; D757-R821 IonicContact OD2-CZ 2.72Å; D757-R821 IonicContact OD2-NH1 3.74Å; D757-R821 PolarHBondContact OD2-NH1 3.04Å | ||
| 758 | V | 60.2 | Low | 80.7 | Confident | 37 Ų | 37 | 38 Ų | 38 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.6 | 179.5 | -156.5 | 0 | 0 | 0 | 0 | 111.9 | L756 A760 T825 L851 L855 | L756-V758 HydrophobicContact CB-CG2 3.97Å; L756-V758 HydrophobicContact CD2-CG2 4.23Å; L756-V758 PolarHBondContact O-N 3.45Å; V758-A760 PolarHBondContact O-N 3.36Å; V758-T825 HydrophobicContact CB-CG2 4.34Å; V758-T825 HydrophobicContact CG2-CG2 3.89Å; V758-L851 HydrophobicContact CG1-CD2 4.42Å; V758-L855 HydrophobicContact CG1-CD2 4.39Å; V758-L855 HydrophobicContact CG2-CD1 4.07Å; V758-L855 HydrophobicContact CG2-CD2 4.47Å |
| 759 | G | 56.4 | Low | 80.5 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 17.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D757 L762 R821 | D757-G759 PolarHBondContact O-N 3Å; D757-G759 VanDerWaalsContact O-N 3.11Å; G759-L762 VanDerWaalsContact O-CB 3.22Å; G759-L762 WeakPolarHBondContact O-CB 3.44Å; G759-L762 PolarHBondContact O-N 2.62Å; G759-R821 WeakPolarHBondContact O-CD 3.33Å; G759-R821 VanDerWaalsContact O-CZ 3.28Å; G759-R821 PolarHBondContact O-NE 3.21Å; G759-R821 PolarHBondContact O-NH2 2.95Å |
| 760 | A | 59.4 | Low | 80.2 | Confident | 49 Ų | 49 | 44.7 Ų | 44.7 | 41% | 0.405 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -61.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D757 V758 L762 R821 | D757-A760 PolarHBondContact O-N 3.23Å; D757-A760 VanDerWaalsContact O-N 3.08Å; V758-A760 PolarHBondContact O-N 3.36Å; A760-L762 PolarHBondContact O-N 3.1Å; A760-R821 PolarHBondContact O-NH2 3.36Å |
| 761 | D | 67.4 | Low | 80.1 | Confident | 165 Ų | 165 | 44.7 Ų | 44.7 | 88% | 0.882 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 45.6 | 180 | -58.3 | -47.7 | 0 | 0 | 0 | 111.9 | D763 | D761-D763 PolarHBondContact O-N 2.95Š|
| 762 | L | 75.8 | Confident | 80 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | trans | -73.6 | 118.1 | -173.8 | -165.3 | 168.2 | 0 | 0 | 0 | 111.7 | G759 A760 W764 Y767 R821 Y824 | G759-L762 VanDerWaalsContact O-CB 3.22Å; G759-L762 WeakPolarHBondContact O-CB 3.44Å; G759-L762 PolarHBondContact O-N 2.62Å; A760-L762 PolarHBondContact O-N 3.1Å; L762-W764 HydrophobicContact CD2-CD2 4.23Å; L762-W764 HydrophobicContact CD2-CE3 4.4Å; L762-W764 PolarHBondContact O-N 2.97Å; L762-W764 VanDerWaalsContact O-N 3.1Å; L762-W764 PolarHBondContact O-NE1 2.84Å; L762-Y767 HydrophobicContact CD1-CD1 4.3Å; L762-Y767 HydrophobicContact CD1-CE1 4.42Å; L762-Y767 HydrophobicContact CD2-CD1 3.58Å; L762-Y767 HydrophobicContact CD2-CE1 4.45Å; L762-Y767 HydrophobicContact CD2-CG 4.07Å; L762-R821 HydrophobicContact CD1-CB 4.36Å; L762-R821 HydrophobicContact CD1-CG 3.95Å; L762-Y824 HydrophobicContact CD1-CD1 3.77Å; L762-Y824 HydrophobicContact CD1-CD2 4.45Å; L762-Y824 HydrophobicContact CD1-CG 3.72Å; L762-Y824 HydrophobicContact CD2-CD1 4.39Å; L762-Y824 HydrophobicContact CD2-CD2 4.2Å; L762-Y824 HydrophobicContact CD2-CE1 4.49Å; L762-Y824 HydrophobicContact CD2-CE2 4.29Å; L762-Y824 HydrophobicContact CD2-CG 4.24Å; L762-Y824 HydrophobicContact CG-CD1 3.73Å; L762-Y824 HydrophobicContact CG-CD2 4.38Å; L762-Y824 HydrophobicContact CG-CE1 3.96Å; L762-Y824 HydrophobicContact CG-CG 3.94Å | ||
| 763 | D | 83.2 | Confident | 80 | Confident | 85 Ų | 85 | 51.5 Ų | 51.5 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | trans | -69.4 | 102.3 | 171.1 | 178.4 | -0.1 | 0 | 0 | 0 | 110.8 | D761 L765 C766 Y767 | D761-D763 PolarHBondContact O-N 2.95Å; D763-L765 VanDerWaalsContact C-N 3.25Å; D763-L765 PolarHBondContact O-N 2.85Å; D763-L765 WeakPolarHBondContact OD1-CA 3.42Å; D763-L765 VanDerWaalsContact OD1-CB 3.29Å; D763-L765 WeakPolarHBondContact OD1-CB 3.24Å; D763-L765 PolarHBondContact OD1-N 2.94Å; D763-C766 HydrophobicContact CB-CB 3.86Å; D763-C766 PolarHBondContact O-N 3.4Å; D763-C766 PolarHBondContact OD1-N 2.86Å; D763-C766 VanDerWaalsContact OD2-CB 3.31Å; D763-C766 WeakPolarHBondContact OD2-CB 3.49Å; D763-Y767 PolarHBondContact O-N 3.27Å | ||
| 764 | W | 87.8 | Confident | 80.2 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 13% | 0.129 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.7 | -24 | 179.4 | -64.8 | 96 | 0 | 0 | 0 | 113.9 | L762 Y767 L768 F791 I792 C795 A796 L817 H820 | L762-W764 HydrophobicContact CD2-CD2 4.23Å; L762-W764 HydrophobicContact CD2-CE3 4.4Å; L762-W764 PolarHBondContact O-N 2.97Å; L762-W764 VanDerWaalsContact O-N 3.1Å; L762-W764 PolarHBondContact O-NE1 2.84Å; W764-Y767 AromaticContact CE3-CD1 3.8Å; W764-Y767 HydrophobicContact CE3-CD1 3.8Å; W764-Y767 HydrophobicContact CE3-CE1 4.39Å; W764-Y767 AromaticContact CZ3-CD1 3.82Å; W764-Y767 HydrophobicContact CZ3-CD1 3.82Å; W764-Y767 AromaticContact CZ3-CE1 3.93Å; W764-Y767 HydrophobicContact CZ3-CE1 3.93Å; W764-L768 WeakPolarHBondContact O-CB 3.41Å; W764-L768 PolarHBondContact O-N 2.9Å; W764-F791 HydrophobicContact CH2-CE1 4.05Å; W764-F791 HydrophobicContact CZ3-CD1 4.4Å; W764-F791 HydrophobicContact CZ3-CE1 4.26Å; W764-I792 HydrophobicContact CE3-CG2 4.47Å; W764-C795 HydrophobicContact CB-CB 4.17Å; W764-C795 HydrophobicContact CD2-CB 3.29Å; W764-C795 HydrophobicContact CE3-CB 3.45Å; W764-C795 VanDerWaalsContact CE3-CB 3.45Å; W764-C795 HydrophobicContact CG-CB 3.6Å; W764-C795 HydrophobicContact CH2-CB 4.43Å; W764-C795 HydrophobicContact CZ2-CB 4.31Å; W764-C795 HydrophobicContact CZ3-CB 4.03Å; W764-A796 HydrophobicContact CB-CB 4.03Å; W764-L817 HydrophobicContact CH2-CD1 3.97Å; W764-L817 HydrophobicContact CZ2-CD1 3.76Å; W764-H820 HydrophobicContact CH2-CB 4.22Å; W764-H820 HydrophobicContact CZ3-CB 4.31Å |
| 765 | L | 87.1 | Confident | 80.6 | Confident | 103 Ų | 103 | 52.7 Ų | 52.7 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -73.8 | -49.4 | 175.8 | -162.6 | 74.9 | 0 | 0 | 0 | 109.6 | D763 Y767 L768 E769 | D763-L765 VanDerWaalsContact C-N 3.25Å; D763-L765 PolarHBondContact O-N 2.85Å; D763-L765 WeakPolarHBondContact OD1-CA 3.42Å; D763-L765 VanDerWaalsContact OD1-CB 3.29Å; D763-L765 WeakPolarHBondContact OD1-CB 3.24Å; D763-L765 PolarHBondContact OD1-N 2.94Å; L765-Y767 VanDerWaalsContact C-N 3.3Å; L765-Y767 PolarHBondContact O-N 3.38Å; L765-L768 WeakPolarHBondContact O-CB 3.12Å; L765-L768 PolarHBondContact O-N 2.89Å; L765-L768 VanDerWaalsContact O-N 3.11Å; L765-E769 PolarHBondContact O-N 3.25Å |
| 766 | C | 87.7 | Confident | 81.2 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 9% | 0.088 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55 | -44.4 | 170 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | D763 L768 E769 Q770 Y824 | D763-C766 HydrophobicContact CB-CB 3.86Å; D763-C766 PolarHBondContact O-N 3.4Å; D763-C766 PolarHBondContact OD1-N 2.86Å; D763-C766 VanDerWaalsContact OD2-CB 3.31Å; D763-C766 WeakPolarHBondContact OD2-CB 3.49Å; C766-L768 VanDerWaalsContact C-N 3.35Å; C766-L768 PolarHBondContact O-N 2.76Å; C766-E769 PolarHBondContact O-N 3.26Å; C766-Q770 WeakPolarHBondContact O-CG 3.46Å; C766-Q770 PolarHBondContact O-N 3.05Å; C766-Y824 PolarHBondContact SG-OH 2.68Å |
| 767 | Y | 91.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 175.7 | -168.7 | -178.3 | 0 | 0 | 0 | 112.3 | L762 D763 W764 L765 E769 Q770 Y771 I792 H820 F823 Y824 L827 | L762-Y767 HydrophobicContact CD1-CD1 4.3Å; L762-Y767 HydrophobicContact CD1-CE1 4.42Å; L762-Y767 HydrophobicContact CD2-CD1 3.58Å; L762-Y767 HydrophobicContact CD2-CE1 4.45Å; L762-Y767 HydrophobicContact CD2-CG 4.07Å; D763-Y767 PolarHBondContact O-N 3.27Å; W764-Y767 AromaticContact CE3-CD1 3.8Å; W764-Y767 HydrophobicContact CE3-CD1 3.8Å; W764-Y767 HydrophobicContact CE3-CE1 4.39Å; W764-Y767 AromaticContact CZ3-CD1 3.82Å; W764-Y767 HydrophobicContact CZ3-CD1 3.82Å; W764-Y767 AromaticContact CZ3-CE1 3.93Å; W764-Y767 HydrophobicContact CZ3-CE1 3.93Å; L765-Y767 VanDerWaalsContact C-N 3.3Å; L765-Y767 PolarHBondContact O-N 3.38Å; Y767-E769 VanDerWaalsContact C-N 3.34Å; Y767-E769 PolarHBondContact O-N 2.91Å; Y767-Q770 PolarHBondContact O-N 2.83Å; Y767-Y771 VanDerWaalsContact O-CB 3.25Å; Y767-Y771 WeakPolarHBondContact O-CB 3.43Å; Y767-Y771 PolarHBondContact O-N 2.89Å; Y767-I792 HydrophobicContact CD1-CG1 4.4Å; Y767-I792 HydrophobicContact CD1-CG2 4.11Å; Y767-I792 HydrophobicContact CD2-CD1 4.18Å; Y767-I792 HydrophobicContact CD2-CG2 4.5Å; Y767-I792 HydrophobicContact CE1-CD1 4.23Å; Y767-I792 HydrophobicContact CE1-CG1 4.19Å; Y767-I792 HydrophobicContact CE2-CD1 3.81Å; Y767-I792 HydrophobicContact CG-CG2 4.02Å; Y767-H820 HydrophobicContact CE1-CB 4.22Å; Y767-H820 WeakPolarHBondContact CE1-O 3.16Å; Y767-H820 PolarHBondContact OH-O 2.93Å; Y767-F823 HydrophobicContact CE2-CD1 4.29Å; Y767-Y824 HydrophobicContact CD1-CD2 4.07Å; Y767-Y824 AromaticContact CD2-CD2 3.55Å; Y767-Y824 HydrophobicContact CD2-CD2 3.55Å; Y767-Y824 HydrophobicContact CD2-CE2 4.24Å; Y767-Y824 HydrophobicContact CE1-CD2 4.47Å; Y767-Y824 HydrophobicContact CE2-CD2 4.05Å; Y767-Y824 AromaticContact CG-CD2 3.56Å; Y767-Y824 HydrophobicContact CG-CD2 3.56Å; Y767-Y824 HydrophobicContact CG-CE2 4.07Å; Y767-Y824 HydrophobicContact CG-CG 4.45Å; Y767-L827 HydrophobicContact CE2-CD1 4.29Å |
| 768 | L | 89.9 | Confident | 83.6 | Confident | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 176.8 | -171.8 | 61.1 | 0 | 0 | 0 | 111.6 | W764 L765 C766 Q772 I792 A796 | W764-L768 WeakPolarHBondContact O-CB 3.41Å; W764-L768 PolarHBondContact O-N 2.9Å; L765-L768 WeakPolarHBondContact O-CB 3.12Å; L765-L768 PolarHBondContact O-N 2.89Å; L765-L768 VanDerWaalsContact O-N 3.11Å; C766-L768 VanDerWaalsContact C-N 3.35Å; C766-L768 PolarHBondContact O-N 2.76Å; L768-Q772 WeakPolarHBondContact O-CB 3.43Å; L768-Q772 VanDerWaalsContact O-CG 3.26Å; L768-Q772 WeakPolarHBondContact O-CG 3.24Å; L768-Q772 PolarHBondContact O-N 3.28Å; L768-I792 HydrophobicContact CB-CG2 4.03Å; L768-I792 HydrophobicContact CD1-CG2 4.07Å; L768-A796 HydrophobicContact CD2-CB 4.22Å |
| 769 | E | 89.8 | Confident | 85.1 | Confident | 126 Ų | 126 | 46.8 Ų | 46.8 | 59% | 0.589 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.1 | -48.3 | 173.8 | -67.1 | -171.3 | 170.7 | 0 | 0 | 112.3 | L765 C766 Y767 Y771 Q772 S773 | L765-E769 PolarHBondContact O-N 3.25Å; C766-E769 PolarHBondContact O-N 3.26Å; Y767-E769 VanDerWaalsContact C-N 3.34Å; Y767-E769 PolarHBondContact O-N 2.91Å; E769-Y771 PolarHBondContact O-N 2.92Å; E769-Q772 PolarHBondContact O-N 3.3Å; E769-S773 PolarHBondContact O-N 3.03Å |
| 770 | Q | 90.1 | Very high | 86.8 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 179.1 | -62.1 | -52.8 | -41.7 | 0 | 0 | 111.4 | C766 Y767 S773 L774 K844 F845 | C766-Q770 WeakPolarHBondContact O-CG 3.46Å; C766-Q770 PolarHBondContact O-N 3.05Å; Y767-Q770 PolarHBondContact O-N 2.83Å; Q770-S773 WeakPolarHBondContact O-CB 3.26Å; Q770-S773 PolarHBondContact O-N 3.2Å; Q770-S773 VanDerWaalsContact O-N 3.15Å; Q770-S773 PolarHBondContact O-OG 3.15Å; Q770-L774 WeakPolarHBondContact O-CG 3.36Å; Q770-L774 PolarHBondContact O-N 2.81Å; Q770-K844 PolarHBondContact NE2-O 2.67Å; Q770-F845 HydrophobicContact CB-CE1 4.18Å; Q770-F845 HydrophobicContact CG-CD1 3.97Å; Q770-F845 HydrophobicContact CG-CE1 3.72Å; Q770-F845 HydrophobicContact CG-CZ 4.29Å |
| 771 | Y | 91.7 | Very high | 88.4 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.027 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 174.9 | -174.5 | -85.7 | 0 | 0 | 0 | 111.7 | Y767 E769 S773 L774 A782 I787 E789 I792 F823 | Y767-Y771 VanDerWaalsContact O-CB 3.25Å; Y767-Y771 WeakPolarHBondContact O-CB 3.43Å; Y767-Y771 PolarHBondContact O-N 2.89Å; E769-Y771 PolarHBondContact O-N 2.92Å; Y771-S773 VanDerWaalsContact C-N 3.28Å; Y771-S773 PolarHBondContact O-N 3.47Å; Y771-L774 HydrophobicContact CD2-CD1 4.11Å; Y771-L774 HydrophobicContact CG-CD1 4.47Å; Y771-L774 WeakPolarHBondContact O-CB 3.5Å; Y771-L774 WeakPolarHBondContact O-CG 3.49Å; Y771-L774 PolarHBondContact O-N 3.15Å; Y771-A782 HydrophobicContact CE2-CB 3.85Å; Y771-I787 HydrophobicContact CD2-CG2 4.26Å; Y771-I787 HydrophobicContact CE2-CG2 3.75Å; Y771-I787 PolarHBondContact OH-O 3.05Å; Y771-E789 HydrophobicContact CD1-CB 4.43Å; Y771-E789 HydrophobicContact CD1-CG 4.1Å; Y771-E789 HydrophobicContact CE1-CB 3.63Å; Y771-E789 HydrophobicContact CE1-CG 3.68Å; Y771-I792 HydrophobicContact CD2-CD1 3.53Å; Y771-I792 HydrophobicContact CE2-CD1 4Å; Y771-I792 HydrophobicContact CG-CD1 3.81Å; Y771-F823 HydrophobicContact CD2-CE1 4.4Å |
| 772 | Q | 90.8 | Very high | 89.6 | Confident | 80 Ų | 80 | 40.1 Ų | 40.1 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.5 | -28 | 174.5 | -73.7 | 179 | 13.8 | 0 | 0 | 112.5 | L768 E769 L774 R779 | L768-Q772 WeakPolarHBondContact O-CB 3.43Å; L768-Q772 VanDerWaalsContact O-CG 3.26Å; L768-Q772 WeakPolarHBondContact O-CG 3.24Å; L768-Q772 PolarHBondContact O-N 3.28Å; E769-Q772 PolarHBondContact O-N 3.3Å; Q772-L774 VanDerWaalsContact C-N 3.28Å; Q772-L774 PolarHBondContact O-N 3.37Å; Q772-R779 PolarHBondContact O-NH2 2.97Å |
| 773 | S | 90.9 | Very high | 90.3 | Very high | 64 Ų | 64 | 44 Ų | 44 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.5 | -16.3 | 174.5 | 85.7 | 0 | 0 | 0 | 0 | 114.8 | E769 Q770 Y771 | E769-S773 PolarHBondContact O-N 3.03Å; Q770-S773 WeakPolarHBondContact O-CB 3.26Å; Q770-S773 PolarHBondContact O-N 3.2Å; Q770-S773 VanDerWaalsContact O-N 3.15Å; Q770-S773 PolarHBondContact O-OG 3.15Å; Y771-S773 VanDerWaalsContact C-N 3.28Å; Y771-S773 PolarHBondContact O-N 3.47Å |
| 774 | L | 91.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | trans | -66.1 | 140.6 | -174.4 | -61.7 | -178 | 0 | 0 | 0 | 113.3 | Q770 Y771 Q772 E778 R779 F823 L827 | Q770-L774 WeakPolarHBondContact O-CG 3.36Å; Q770-L774 PolarHBondContact O-N 2.81Å; Y771-L774 HydrophobicContact CD2-CD1 4.11Å; Y771-L774 HydrophobicContact CG-CD1 4.47Å; Y771-L774 WeakPolarHBondContact O-CB 3.5Å; Y771-L774 WeakPolarHBondContact O-CG 3.49Å; Y771-L774 PolarHBondContact O-N 3.15Å; Q772-L774 VanDerWaalsContact C-N 3.28Å; Q772-L774 PolarHBondContact O-N 3.37Å; L774-E778 WeakPolarHBondContact CA-OE2 3.44Å; L774-E778 HydrophobicContact CB-CB 3.89Å; L774-E778 HydrophobicContact CD1-CB 4.48Å; L774-E778 HydrophobicContact CD2-CB 4.22Å; L774-E778 HydrophobicContact CG-CB 4.4Å; L774-R779 HydrophobicContact CB-CG 3.66Å; L774-R779 PolarHBondContact O-NE 3.42Å; L774-R779 VanDerWaalsContact O-NE 3.1Å; L774-F823 HydrophobicContact CD1-CE1 4.06Å; L774-F823 HydrophobicContact CD1-CZ 4.18Å; L774-L827 HydrophobicContact CD1-CD1 4.32Å; L774-L827 HydrophobicContact CD1-CD2 4.1Å; L774-L827 HydrophobicContact CD2-CD1 4.3Å; L774-L827 HydrophobicContact CD2-CD2 3.55Å; L774-L827 HydrophobicContact CG-CD2 4.46Å | ||
| 775 | S | 92.3 | Very high | 90.7 | Very high | 45 Ų | 45 | 42.7 Ų | 42.7 | 32% | 0.315 | 22% | 0.223 | S | C | . | . | trans | -67.1 | 167.1 | 175.2 | 84 | 0 | 0 | 0 | 0 | 113 | S777 E778 R779 | S775-S777 PolarHBondContact O-N 3.32Å; S775-S777 VanDerWaalsContact O-N 3.16Å; S775-S777 PolarHBondContact OG-N 3.36Å; S775-E778 WeakPolarHBondContact CB-OE1 3.15Å; S775-E778 PolarHBondContact N-OE2 3.11Å; S775-E778 PolarHBondContact O-N 2.93Å; S775-E778 PolarHBondContact OG-N 3.04Å; S775-E778 PolarHBondContact OG-OE1 3.41Å; S775-R779 WeakPolarHBondContact O-CG 3.3Å; S775-R779 PolarHBondContact O-N 3.39Å | ||
| 776 | S | 88.7 | Confident | 90.8 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.6 | 175.8 | 48.4 | 0 | 0 | 0 | 0 | 114.9 | H1806 | S776-H1806 WeakPolarHBondContact CB-CD2 3.47Å; S776-H1806 VanDerWaalsContact CB-NE2 3.29Å; S776-H1806 WeakPolarHBondContact CB-NE2 3.31Å |
| 777 | S | 89.5 | Confident | 91.1 | Very high | 22 Ų | 22 | 39 Ų | 39 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -42.8 | 173.7 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | D742 S775 R779 R780 V781 | D742-S777 WeakPolarHBondContact OD2-CB 3.41Å; D742-S777 PolarHBondContact OD2-OG 3.02Å; S775-S777 PolarHBondContact O-N 3.32Å; S775-S777 VanDerWaalsContact O-N 3.16Å; S775-S777 PolarHBondContact OG-N 3.36Å; S777-R779 PolarHBondContact O-N 2.86Å; S777-R780 WeakPolarHBondContact O-CB 3.3Å; S777-R780 PolarHBondContact O-N 3.11Å; S777-R780 PolarHBondContact OG-NH2 3.27Å; S777-V781 PolarHBondContact O-N 2.87Å |
| 778 | E | 93.6 | Very high | 91 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 175 | -70.8 | 138.3 | -121.3 | 0 | 0 | 112.5 | L745 L774 S775 R780 V781 A782 Y830 | L745-E778 HydrophobicContact CD2-CB 3.76Å; L745-E778 HydrophobicContact CD2-CG 3.89Å; L774-E778 WeakPolarHBondContact CA-OE2 3.44Å; L774-E778 HydrophobicContact CB-CB 3.89Å; L774-E778 HydrophobicContact CD1-CB 4.48Å; L774-E778 HydrophobicContact CD2-CB 4.22Å; L774-E778 HydrophobicContact CG-CB 4.4Å; S775-E778 WeakPolarHBondContact CB-OE1 3.15Å; S775-E778 PolarHBondContact N-OE2 3.11Å; S775-E778 PolarHBondContact O-N 2.93Å; S775-E778 PolarHBondContact OG-N 3.04Å; S775-E778 PolarHBondContact OG-OE1 3.41Å; E778-R780 VanDerWaalsContact C-N 3.29Å; E778-R780 PolarHBondContact O-N 2.83Å; E778-V781 WeakPolarHBondContact O-CB 3.48Å; E778-V781 PolarHBondContact O-N 2.84Å; E778-V781 VanDerWaalsContact O-N 3.13Å; E778-A782 PolarHBondContact O-N 3.43Å; E778-Y830 HydrophobicContact CG-CE1 4.06Å |
| 779 | R | 92.8 | Very high | 91 | Very high | 52 Ų | 52 | 44.5 Ų | 44.5 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -32.2 | 175.4 | -67.3 | -173.6 | -170.7 | -152 | 8.2 | 112.9 | Q772 L774 S775 S777 V781 A782 D783 Y1796 | Q772-R779 PolarHBondContact O-NH2 2.97Å; L774-R779 HydrophobicContact CB-CG 3.66Å; L774-R779 PolarHBondContact O-NE 3.42Å; L774-R779 VanDerWaalsContact O-NE 3.1Å; S775-R779 WeakPolarHBondContact O-CG 3.3Å; S775-R779 PolarHBondContact O-N 3.39Å; S777-R779 PolarHBondContact O-N 2.86Å; R779-V781 VanDerWaalsContact C-N 3.26Å; R779-V781 PolarHBondContact O-N 3.38Å; R779-A782 WeakPolarHBondContact O-CA 3.46Å; R779-A782 VanDerWaalsContact O-CB 3.3Å; R779-A782 WeakPolarHBondContact O-CB 3.46Å; R779-A782 PolarHBondContact O-N 3.02Å; R779-A782 VanDerWaalsContact O-N 3.14Å; R779-D783 PolarHBondContact O-N 3.24Å; R779-Y1796 PolarHBondContact NH1-OH 2.86Å; R779-Y1796 PolarHBondContact NH2-OH 3.44Å |
| 780 | R | 91.4 | Very high | 90.8 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.1 | -30.6 | 174.5 | -154.4 | -161.4 | -40.7 | 122.7 | 5.6 | 111.9 | D742 S777 E778 L784 | D742-R780 VanDerWaalsContact CG-NH1 3.32Å; D742-R780 IonicContact OD1-CZ 2.74Å; D742-R780 IonicContact OD1-NH1 2.7Å; D742-R780 PolarHBondContact OD1-NH1 2.71Å; D742-R780 IonicContact OD1-NH2 3.68Å; D742-R780 IonicContact OD2-CZ 3.12Å; D742-R780 IonicContact OD2-NH1 3.12Å; D742-R780 PolarHBondContact OD2-NH1 2.91Å; D742-R780 VanDerWaalsContact OD2-NH1 3.09Å; D742-R780 IonicContact OD2-NH2 3.32Å; D742-R780 PolarHBondContact OD2-NH2 3.28Å; S777-R780 WeakPolarHBondContact O-CB 3.3Å; S777-R780 PolarHBondContact O-N 3.11Å; S777-R780 PolarHBondContact OG-NH2 3.27Å; E778-R780 VanDerWaalsContact C-N 3.29Å; E778-R780 PolarHBondContact O-N 2.83Å; R780-L784 WeakPolarHBondContact O-CB 3.37Å; R780-L784 WeakPolarHBondContact O-CG 3.44Å; R780-L784 PolarHBondContact O-N 3.04Å |
| 781 | V | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.7 | -41.4 | 170.1 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | A740 T743 L745 H746 S777 E778 R779 D783 L784 I785 | A740-V781 HydrophobicContact CB-CG2 3.61Å; T743-V781 HydrophobicContact CG2-CG2 3.61Å; L745-V781 HydrophobicContact CB-CG1 4.47Å; L745-V781 HydrophobicContact CD2-CG1 4.44Å; L745-V781 HydrophobicContact CG-CG1 4.12Å; H746-V781 HydrophobicContact CB-CG1 3.69Å; H746-V781 HydrophobicContact CB-CG2 3.95Å; S777-V781 PolarHBondContact O-N 2.87Å; E778-V781 WeakPolarHBondContact O-CB 3.48Å; E778-V781 PolarHBondContact O-N 2.84Å; E778-V781 VanDerWaalsContact O-N 3.13Å; R779-V781 VanDerWaalsContact C-N 3.26Å; R779-V781 PolarHBondContact O-N 3.38Å; V781-D783 VanDerWaalsContact C-N 3.35Å; V781-D783 PolarHBondContact O-N 3.42Å; V781-L784 PolarHBondContact O-N 2.73Å; V781-I785 HydrophobicContact CG1-CD1 3.58Å; V781-I785 HydrophobicContact CG1-CG1 4.42Å; V781-I785 WeakPolarHBondContact O-CD1 3.4Å; V781-I785 VanDerWaalsContact O-CG1 3.28Å; V781-I785 WeakPolarHBondContact O-CG1 3.46Å; V781-I785 PolarHBondContact O-N 2.62Å |
| 782 | A | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y771 E778 R779 I785 G786 I787 F823 | Y771-A782 HydrophobicContact CE2-CB 3.85Å; E778-A782 PolarHBondContact O-N 3.43Å; R779-A782 WeakPolarHBondContact O-CA 3.46Å; R779-A782 VanDerWaalsContact O-CB 3.3Å; R779-A782 WeakPolarHBondContact O-CB 3.46Å; R779-A782 PolarHBondContact O-N 3.02Å; R779-A782 VanDerWaalsContact O-N 3.14Å; A782-I785 PolarHBondContact O-N 2.7Å; A782-G786 PolarHBondContact O-N 2.73Å; A782-G786 VanDerWaalsContact O-N 3.1Å; A782-I787 HydrophobicContact CB-CB 4Å; A782-I787 HydrophobicContact CB-CG1 4.49Å; A782-I787 HydrophobicContact CB-CG2 4.38Å; A782-I787 WeakPolarHBondContact O-CB 3.2Å; A782-I787 PolarHBondContact O-N 2.68Å; A782-F823 HydrophobicContact CB-CE1 3.91Å; A782-F823 HydrophobicContact CB-CE2 4.17Å; A782-F823 HydrophobicContact CB-CZ 3.53Å |
| 783 | D | 89.6 | Confident | 90.5 | Very high | 96 Ų | 96 | 48.3 Ų | 48.3 | 51% | 0.513 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60 | -45.3 | 174.4 | -67.4 | -31.3 | 0 | 0 | 0 | 111.7 | R779 V781 I785 G786 | R779-D783 PolarHBondContact O-N 3.24Å; V781-D783 VanDerWaalsContact C-N 3.35Å; V781-D783 PolarHBondContact O-N 3.42Å; D783-I785 VanDerWaalsContact C-N 3.34Å; D783-I785 PolarHBondContact O-N 3.3Å; D783-G786 PolarHBondContact O-N 3.16Å |
| 784 | L | 89.5 | Confident | 90.1 | Very high | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 177.6 | -83.1 | 165.1 | 0 | 0 | 0 | 113.6 | A740 R780 V781 | A740-L784 HydrophobicContact CB-CD1 4.34Å; R780-L784 WeakPolarHBondContact O-CB 3.37Å; R780-L784 WeakPolarHBondContact O-CG 3.44Å; R780-L784 PolarHBondContact O-N 3.04Å; V781-L784 PolarHBondContact O-N 2.73Å |
| 785 | I | 90.3 | Very high | 89.7 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.3 | -23.6 | 178.5 | -67.4 | 161.9 | 0 | 0 | 0 | 111.4 | Y749 V781 A782 D783 I787 L819 F823 | Y749-I785 HydrophobicContact CD1-CD1 3.66Å; Y749-I785 HydrophobicContact CD1-CG1 3.93Å; Y749-I785 HydrophobicContact CD1-CG2 4.46Å; Y749-I785 HydrophobicContact CD2-CD1 3.81Å; Y749-I785 HydrophobicContact CD2-CG2 4.31Å; Y749-I785 HydrophobicContact CE1-CD1 4.25Å; Y749-I785 HydrophobicContact CE1-CG1 4.14Å; Y749-I785 HydrophobicContact CE1-CG2 3.98Å; Y749-I785 HydrophobicContact CE2-CD1 4.35Å; Y749-I785 HydrophobicContact CE2-CG2 3.78Å; Y749-I785 HydrophobicContact CG-CD1 3.43Å; Y749-I785 VanDerWaalsContact CG-CD1 3.43Å; Y749-I785 HydrophobicContact CG-CG1 4.21Å; V781-I785 HydrophobicContact CG1-CD1 3.58Å; V781-I785 HydrophobicContact CG1-CG1 4.42Å; V781-I785 WeakPolarHBondContact O-CD1 3.4Å; V781-I785 VanDerWaalsContact O-CG1 3.28Å; V781-I785 WeakPolarHBondContact O-CG1 3.46Å; V781-I785 PolarHBondContact O-N 2.62Å; A782-I785 PolarHBondContact O-N 2.7Å; D783-I785 VanDerWaalsContact C-N 3.34Å; D783-I785 PolarHBondContact O-N 3.3Å; I785-I787 HydrophobicContact CB-CG1 4.13Å; I785-I787 HydrophobicContact CG2-CD1 3.98Å; I785-I787 HydrophobicContact CG2-CG1 3.85Å; I785-L819 HydrophobicContact CG2-CD1 3.99Å; I785-L819 HydrophobicContact CG2-CG 4.26Å; I785-F823 HydrophobicContact CD1-CD2 3.75Å; I785-F823 HydrophobicContact CD1-CE2 3.84Å |
| 786 | G | 89.8 | Confident | 89.3 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | 27.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A782 D783 E788 | A782-G786 PolarHBondContact O-N 2.73Å; A782-G786 VanDerWaalsContact O-N 3.1Å; D783-G786 PolarHBondContact O-N 3.16Å; G786-E788 PolarHBondContact O-N 3.15Å |
| 787 | I | 93.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | trans | -86.8 | 100.7 | -177.1 | -56.5 | -62.7 | 0 | 0 | 0 | 110.9 | Y771 A782 I785 E789 I792 L819 F823 | Y771-I787 HydrophobicContact CD2-CG2 4.26Å; Y771-I787 HydrophobicContact CE2-CG2 3.75Å; Y771-I787 PolarHBondContact OH-O 3.05Å; A782-I787 HydrophobicContact CB-CB 4Å; A782-I787 HydrophobicContact CB-CG1 4.49Å; A782-I787 HydrophobicContact CB-CG2 4.38Å; A782-I787 WeakPolarHBondContact O-CB 3.2Å; A782-I787 PolarHBondContact O-N 2.68Å; I785-I787 HydrophobicContact CB-CG1 4.13Å; I785-I787 HydrophobicContact CG2-CD1 3.98Å; I785-I787 HydrophobicContact CG2-CG1 3.85Å; I787-E789 PolarHBondContact O-N 3.17Å; I787-I792 HydrophobicContact CG2-CD1 4.08Å; I787-L819 HydrophobicContact CD1-CD2 3.89Å; I787-L819 HydrophobicContact CD1-CG 3.82Å; I787-F823 HydrophobicContact CB-CD1 4.45Å; I787-F823 HydrophobicContact CD1-CB 3.47Å; I787-F823 VanDerWaalsContact CD1-CB 3.47Å; I787-F823 HydrophobicContact CD1-CD1 4.41Å; I787-F823 HydrophobicContact CD1-CG 3.92Å; I787-F823 HydrophobicContact CG1-CB 3.84Å; I787-F823 HydrophobicContact CG1-CD1 3.98Å; I787-F823 HydrophobicContact CG1-CD2 4.01Å; I787-F823 HydrophobicContact CG1-CG 3.68Å; I787-F823 HydrophobicContact CG2-CD1 3.88Å; I787-F823 HydrophobicContact CG2-CE1 4.25Å; I787-F823 HydrophobicContact CG2-CG 4.42Å | ||
| 788 | E | 88.8 | Confident | 87.3 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | trans | -81.5 | 115.3 | -176 | -65.4 | 174.9 | -127.7 | 0 | 0 | 112.9 | G786 R790 F791 I792 R816 H820 | G786-E788 PolarHBondContact O-N 3.15Å; E788-R790 PolarHBondContact O-N 3.48Å; E788-R790 VanDerWaalsContact O-N 3.1Å; E788-F791 HydrophobicContact CB-CB 3.99Å; E788-F791 WeakPolarHBondContact O-CB 3.16Å; E788-F791 PolarHBondContact O-N 3.42Å; E788-I792 PolarHBondContact O-N 2.76Å; E788-R816 IonicContact OE1-CZ 3.64Å; E788-R816 IonicContact OE1-NE 3.65Å; E788-R816 PolarHBondContact OE1-NE 3.26Å; E788-R816 IonicContact OE1-NH2 2.69Å; E788-R816 PolarHBondContact OE1-NH2 3.4Å; E788-R816 IonicContact OE2-NH2 2.72Å; E788-H820 PolarHBondContact N-CE1 2.93Å; E788-H820 VanDerWaalsContact N-CE1 3.34Å; E788-H820 PolarHBondContact N-NE2 3.43Å; E788-H820 PolarHBondContact O-CE1 3.1Å | ||
| 789 | E | 90 | Very high | 85.4 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 33% | 0.327 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.2 | -33.8 | 171.5 | -172 | 175.7 | -169.6 | 0 | 0 | 112.1 | Y771 I787 F791 T793 | Y771-E789 HydrophobicContact CD1-CB 4.43Å; Y771-E789 HydrophobicContact CD1-CG 4.1Å; Y771-E789 HydrophobicContact CE1-CB 3.63Å; Y771-E789 HydrophobicContact CE1-CG 3.68Å; I787-E789 PolarHBondContact O-N 3.17Å; E789-F791 PolarHBondContact O-N 2.91Å; E789-T793 WeakPolarHBondContact O-CB 3.29Å; E789-T793 PolarHBondContact O-N 3.14Å; E789-T793 PolarHBondContact O-OG1 3.42Å |
| 790 | R | 86.4 | Confident | 83.3 | Confident | 214 Ų | 214 | 58 Ų | 58 | 81% | 0.808 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.3 | -37.6 | 175.3 | -67.6 | -179.6 | 175 | -175 | -2.8 | 113 | E788 R794 | E788-R790 PolarHBondContact O-N 3.48Å; E788-R790 VanDerWaalsContact O-N 3.1Å; R790-R794 WeakPolarHBondContact O-CB 3.37Å; R790-R794 PolarHBondContact O-N 3.01Å; R790-R794 VanDerWaalsContact O-N 3.11Å |
| 791 | F | 88.7 | Confident | 81 | Confident | 35 Ų | 35 | 59 Ų | 59 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.6 | -47.6 | 179.4 | -173.9 | -90.1 | 0 | 0 | 0 | 110.4 | W764 E788 E789 T793 R794 C795 R816 L817 H820 | W764-F791 HydrophobicContact CH2-CE1 4.05Å; W764-F791 HydrophobicContact CZ3-CD1 4.4Å; W764-F791 HydrophobicContact CZ3-CE1 4.26Å; E788-F791 HydrophobicContact CB-CB 3.99Å; E788-F791 WeakPolarHBondContact O-CB 3.16Å; E788-F791 PolarHBondContact O-N 3.42Å; E789-F791 PolarHBondContact O-N 2.91Å; F791-T793 VanDerWaalsContact C-N 3.33Å; F791-T793 PolarHBondContact O-N 2.85Å; F791-R794 PolarHBondContact O-N 3.26Å; F791-R794 VanDerWaalsContact O-N 3.11Å; F791-C795 PolarHBondContact O-N 3.41Å; F791-C795 PolarHBondContact O-SG 3.25Å; F791-R816 HydrophobicContact CE2-CB 4.24Å; F791-R816 HydrophobicContact CZ-CB 4.35Å; F791-L817 HydrophobicContact CE1-CD1 4.32Å; F791-L817 HydrophobicContact CZ-CD1 4.23Å; F791-H820 HydrophobicContact CD1-CB 4.39Å; F791-H820 AromaticContact CD1-CD2 3.35Å; F791-H820 WeakPolarHBondContact CD1-CD2 3.48Å; F791-H820 AromaticContact CD1-CE1 3.91Å; F791-H820 AromaticContact CD1-CG 3.68Å; F791-H820 AromaticContact CD1-NE2 3.52Å; F791-H820 HydrophobicContact CE1-CB 4.29Å; F791-H820 AromaticContact CE1-CD2 3.78Å; F791-H820 AromaticContact CG-CD2 3.97Å; F791-H820 AromaticContact CG-NE2 3.76Å |
| 792 | I | 90.2 | Very high | 78.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56 | -48.8 | 175.8 | -54.3 | 174.2 | 0 | 0 | 0 | 110.3 | W764 Y767 L768 Y771 I787 E788 R794 C795 A796 H820 | W764-I792 HydrophobicContact CE3-CG2 4.47Å; Y767-I792 HydrophobicContact CD1-CG1 4.4Å; Y767-I792 HydrophobicContact CD1-CG2 4.11Å; Y767-I792 HydrophobicContact CD2-CD1 4.18Å; Y767-I792 HydrophobicContact CD2-CG2 4.5Å; Y767-I792 HydrophobicContact CE1-CD1 4.23Å; Y767-I792 HydrophobicContact CE1-CG1 4.19Å; Y767-I792 HydrophobicContact CE2-CD1 3.81Å; Y767-I792 HydrophobicContact CG-CG2 4.02Å; L768-I792 HydrophobicContact CB-CG2 4.03Å; L768-I792 HydrophobicContact CD1-CG2 4.07Å; Y771-I792 HydrophobicContact CD2-CD1 3.53Å; Y771-I792 HydrophobicContact CE2-CD1 4Å; Y771-I792 HydrophobicContact CG-CD1 3.81Å; I787-I792 HydrophobicContact CG2-CD1 4.08Å; E788-I792 PolarHBondContact O-N 2.76Å; I792-R794 VanDerWaalsContact C-N 3.3Å; I792-R794 PolarHBondContact O-N 3.47Å; I792-C795 PolarHBondContact O-N 3.49Å; I792-A796 WeakPolarHBondContact O-CB 3.09Å; I792-A796 PolarHBondContact O-N 2.94Å; I792-H820 WeakPolarHBondContact CG1-ND1 3.48Å |
| 793 | T | 87.2 | Confident | 75.9 | Confident | 67 Ų | 67 | 66.2 Ų | 66.2 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -37.4 | 178.8 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | E789 F791 G797 | E789-T793 WeakPolarHBondContact O-CB 3.29Å; E789-T793 PolarHBondContact O-N 3.14Å; E789-T793 PolarHBondContact O-OG1 3.42Å; F791-T793 VanDerWaalsContact C-N 3.33Å; F791-T793 PolarHBondContact O-N 2.85Å; T793-G797 PolarHBondContact O-N 2.73Å |
| 794 | R | 82.4 | Confident | 73.6 | Confident | 184 Ų | 184 | 66.7 Ų | 66.7 | 69% | 0.694 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.7 | -37.7 | 179.4 | -165.8 | 177.8 | -163.1 | 163.8 | 4.6 | 112.5 | R790 F791 I792 | R790-R794 WeakPolarHBondContact O-CB 3.37Å; R790-R794 PolarHBondContact O-N 3.01Å; R790-R794 VanDerWaalsContact O-N 3.11Å; F791-R794 PolarHBondContact O-N 3.26Å; F791-R794 VanDerWaalsContact O-N 3.11Å; I792-R794 VanDerWaalsContact C-N 3.3Å; I792-R794 PolarHBondContact O-N 3.47Å |
| 795 | C | 83.3 | Confident | 70.9 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 8% | 0.081 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.3 | -41.5 | 174.4 | -63.8 | 0 | 0 | 0 | 0 | 111.7 | W764 F791 I792 G797 G798 | W764-C795 HydrophobicContact CB-CB 4.17Å; W764-C795 HydrophobicContact CD2-CB 3.29Å; W764-C795 HydrophobicContact CE3-CB 3.45Å; W764-C795 VanDerWaalsContact CE3-CB 3.45Å; W764-C795 HydrophobicContact CG-CB 3.6Å; W764-C795 HydrophobicContact CH2-CB 4.43Å; W764-C795 HydrophobicContact CZ2-CB 4.31Å; W764-C795 HydrophobicContact CZ3-CB 4.03Å; F791-C795 PolarHBondContact O-N 3.41Å; F791-C795 PolarHBondContact O-SG 3.25Å; I792-C795 PolarHBondContact O-N 3.49Å; C795-G797 PolarHBondContact O-N 3.38Å; C795-G798 PolarHBondContact O-N 2.98Å; C795-G798 VanDerWaalsContact O-N 3.09Å |
| 796 | A | 83.4 | Confident | 68.1 | Low | 28 Ų | 28 | 70.2 Ų | 70.2 | 23% | 0.231 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.2 | -32.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | W764 L768 I792 G798 | W764-A796 HydrophobicContact CB-CB 4.03Å; L768-A796 HydrophobicContact CD2-CB 4.22Å; I792-A796 WeakPolarHBondContact O-CB 3.09Å; I792-A796 PolarHBondContact O-N 2.94Å; A796-G798 PolarHBondContact O-N 3.1Å; A796-G798 VanDerWaalsContact O-N 3.14Å |
| 797 | G | 76.1 | Confident | 65.4 | Low | 67 Ų | 67 | 78.3 Ų | 78.3 | 69% | 0.691 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 11.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | T793 C795 | T793-G797 PolarHBondContact O-N 2.73Å; C795-G797 PolarHBondContact O-N 3.38Å |
| 798 | G | 60.8 | Low | 62.7 | Low | 62 Ų | 62 | 80.7 Ų | 80.7 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 12 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | C795 A796 P800 | C795-G798 PolarHBondContact O-N 2.98Å; C795-G798 VanDerWaalsContact O-N 3.09Å; A796-G798 PolarHBondContact O-N 3.1Å; A796-G798 VanDerWaalsContact O-N 3.14Å; G798-P800 WeakPolarHBondContact O-CD 3.25Å |
| 799 | A | 52.2 | Low | 60.6 | Low | 35 Ų | 35 | 82.5 Ų | 82.5 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | trans | -103.4 | 36.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | S801 | A799-S801 PolarHBondContact O-N 3.48Š| ||
| 800 | P | 48.5 | Very low | 58.9 | Low | 71 Ų | 71 | 83.2 Ų | 83.2 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -40.1 | 176.3 | -21.9 | 32.2 | 0 | 0 | 0 | 114.8 | G798 | G798-P800 WeakPolarHBondContact O-CD 3.25Š|
| 801 | S | 44.3 | Very low | 57.4 | Low | 98 Ų | 98 | 78.8 Ų | 78.8 | 69% | 0.685 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -29.9 | -166.4 | -50.7 | 0 | 0 | 0 | 0 | 114.1 | A799 A803 V804 | A799-S801 PolarHBondContact O-N 3.48Å; S801-A803 PolarHBondContact O-N 3.28Å; S801-V804 PolarHBondContact O-N 2.9Å |
| 802 | S | 38.3 | Very low | 55.8 | Low | 96 Ų | 96 | 82.3 Ų | 82.3 | 67% | 0.671 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -67.1 | -20.6 | -176.2 | -40.8 | 0 | 0 | 0 | 0 | 113.4 | V804 G805 | S802-V804 PolarHBondContact O-N 3.49Å; S802-G805 PolarHBondContact O-N 3.42Å |
| 803 | A | 40.3 | Very low | 54.5 | Low | 54 Ų | 54 | 85 Ų | 85 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -68.9 | -12.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S801 G805 | S801-A803 PolarHBondContact O-N 3.28Å; A803-G805 VanDerWaalsContact C-N 3.34Å |
| 804 | V | 42.4 | Very low | 53.6 | Low | 106 Ų | 106 | 86 Ų | 86 | 64% | 0.642 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -81.4 | -13.8 | -179.9 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | S801 S802 | S801-V804 PolarHBondContact O-N 2.9Å; S802-V804 PolarHBondContact O-N 3.49Å |
| 805 | G | 32.1 | Very low | 53.1 | Low | 62 Ų | 62 | 85.6 Ų | 85.6 | 64% | 0.639 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -80.5 | -11.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S802 A803 | S802-G805 PolarHBondContact O-N 3.42Å; A803-G805 VanDerWaalsContact C-N 3.34Å |
| 806 | C | 30.9 | Very low | 53 | Low | 104 Ų | 104 | 89.6 Ų | 89.6 | 70% | 0.703 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -102.3 | 134.9 | -179.6 | -61 | 0 | 0 | 0 | 0 | 110.4 | G808 | C806-G808 PolarHBondContact O-N 3.4Š|
| 807 | H | 33.9 | Very low | 52.9 | Low | 206 Ų | 206 | 90.5 Ų | 90.5 | 95% | 0.954 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -72.2 | 65 | -169.5 | -73.7 | 56.3 | 0 | 0 | 0 | 113.4 | ||
| 808 | G | 35.8 | Very low | 53.2 | Low | 53 Ų | 53 | 90.3 Ų | 90.3 | 55% | 0.546 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -140.9 | 78 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | C806 | C806-G808 PolarHBondContact O-N 3.4Š|
| 809 | N | 45.8 | Very low | 54.4 | Low | 108 Ų | 108 | 89.3 Ų | 89.3 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | trans | 46.8 | 75.9 | 161.6 | -159.9 | -6.2 | 0 | 0 | 0 | 116 | N811 M812 | N809-N811 PolarHBondContact O-N 3.34Å; N809-M812 PolarHBondContact O-N 3.4Å | ||
| 810 | T | 52.9 | Low | 56.3 | Low | 86 Ų | 86 | 87.7 Ų | 87.7 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -47.7 | -34.4 | -179 | -23.1 | 0 | 0 | 0 | 0 | 114 | M812 V813 N814 | T810-M812 VanDerWaalsContact C-N 3.28Å; T810-M812 PolarHBondContact O-N 3.23Å; T810-V813 PolarHBondContact O-N 3.43Å; T810-N814 PolarHBondContact O-N 3.09Å |
| 811 | N | 55.8 | Low | 58.2 | Low | 121 Ų | 121 | 86.8 Ų | 86.8 | 65% | 0.647 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.6 | -35 | 178.6 | -67.3 | -19.9 | 0 | 0 | 0 | 112.6 | N809 N814 R815 | N809-N811 PolarHBondContact O-N 3.34Å; N811-N814 PolarHBondContact O-N 3.34Å; N811-R815 WeakPolarHBondContact O-CB 3.28Å; N811-R815 PolarHBondContact O-N 3Å |
| 812 | M | 54.4 | Low | 60.4 | Low | 108 Ų | 108 | 83 Ų | 83 | 53% | 0.532 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -74.8 | -34.3 | -179 | -159.9 | 178 | 77.6 | 0 | 0 | 112.1 | N809 T810 R816 | N809-M812 PolarHBondContact O-N 3.4Å; T810-M812 VanDerWaalsContact C-N 3.28Å; T810-M812 PolarHBondContact O-N 3.23Å; M812-R816 PolarHBondContact O-N 3.03Å; M812-R816 VanDerWaalsContact O-N 3.1Å |
| 813 | V | 64.6 | Low | 62.9 | Low | 56 Ų | 56 | 78.4 Ų | 78.4 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 172.1 | -178.5 | 0 | 0 | 0 | 0 | 110 | T810 R815 R816 L817 | T810-V813 PolarHBondContact O-N 3.43Å; V813-R815 PolarHBondContact O-N 2.91Å; V813-R816 PolarHBondContact O-N 3.4Å; V813-L817 WeakPolarHBondContact O-CB 3.45Å; V813-L817 PolarHBondContact O-N 3.14Å |
| 814 | N | 68.5 | Low | 65.4 | Low | 90 Ų | 90 | 76.3 Ų | 76.3 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 177.2 | -69.9 | -11.1 | 0 | 0 | 0 | 112.5 | T810 N811 L817 S818 | T810-N814 PolarHBondContact O-N 3.09Å; N811-N814 PolarHBondContact O-N 3.34Å; N814-L817 PolarHBondContact O-N 2.91Å; N814-S818 WeakPolarHBondContact O-CB 3.37Å; N814-S818 PolarHBondContact O-N 2.67Å |
| 815 | R | 71.9 | Confident | 67.7 | Low | 175 Ų | 175 | 71.5 Ų | 71.5 | 66% | 0.66 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 176.9 | -156 | 171.8 | -173.1 | 179.6 | 0.4 | 111.7 | E730 N811 V813 L819 | E730-R815 IonicContact OE2-NH2 2.67Å; E730-R815 PolarHBondContact OE2-NH2 3.28Å; N811-R815 WeakPolarHBondContact O-CB 3.28Å; N811-R815 PolarHBondContact O-N 3Å; V813-R815 PolarHBondContact O-N 2.91Å; R815-L819 PolarHBondContact O-N 2.95Å; R815-L819 VanDerWaalsContact O-N 3.13Å |
| 816 | R | 80.3 | Confident | 70.6 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 170.1 | -90.2 | -175.1 | 167.3 | 129 | -6.6 | 112.7 | E788 F791 M812 V813 S818 L819 H820 | E788-R816 IonicContact OE1-CZ 3.64Å; E788-R816 IonicContact OE1-NE 3.65Å; E788-R816 PolarHBondContact OE1-NE 3.26Å; E788-R816 IonicContact OE1-NH2 2.69Å; E788-R816 PolarHBondContact OE1-NH2 3.4Å; E788-R816 IonicContact OE2-NH2 2.72Å; F791-R816 HydrophobicContact CE2-CB 4.24Å; F791-R816 HydrophobicContact CZ-CB 4.35Å; M812-R816 PolarHBondContact O-N 3.03Å; M812-R816 VanDerWaalsContact O-N 3.1Å; V813-R816 PolarHBondContact O-N 3.4Å; R816-S818 VanDerWaalsContact C-N 3.35Å; R816-S818 PolarHBondContact O-N 3.34Å; R816-L819 WeakPolarHBondContact O-CB 3.49Å; R816-L819 PolarHBondContact O-N 3.11Å; R816-H820 PolarHBondContact O-CD2 3.13Å; R816-H820 PolarHBondContact O-N 3.11Å |
| 817 | L | 82 | Confident | 73.5 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | -179.8 | -165.5 | 78.6 | 0 | 0 | 0 | 111.1 | W764 F791 V813 N814 H820 R821 | W764-L817 HydrophobicContact CH2-CD1 3.97Å; W764-L817 HydrophobicContact CZ2-CD1 3.76Å; F791-L817 HydrophobicContact CE1-CD1 4.32Å; F791-L817 HydrophobicContact CZ-CD1 4.23Å; V813-L817 WeakPolarHBondContact O-CB 3.45Å; V813-L817 PolarHBondContact O-N 3.14Å; N814-L817 PolarHBondContact O-N 2.91Å; L817-H820 PolarHBondContact O-N 3.47Å; L817-R821 WeakPolarHBondContact O-CB 3.5Å; L817-R821 WeakPolarHBondContact O-CG 3.28Å; L817-R821 PolarHBondContact O-N 3.04Å |
| 818 | S | 81.1 | Confident | 76.3 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | N814 R816 H820 R821 R822 | N814-S818 WeakPolarHBondContact O-CB 3.37Å; N814-S818 PolarHBondContact O-N 2.67Å; R816-S818 VanDerWaalsContact C-N 3.35Å; R816-S818 PolarHBondContact O-N 3.34Å; S818-H820 PolarHBondContact O-N 2.59Å; S818-R821 PolarHBondContact O-N 2.95Å; S818-R822 WeakPolarHBondContact O-CB 3.09Å; S818-R822 PolarHBondContact O-N 3.48Å |
| 819 | L | 87.6 | Confident | 79 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.1 | -48.8 | 174.9 | -168.9 | 85 | 0 | 0 | 0 | 111.8 | Y749 I785 I787 R815 R816 R822 F823 | Y749-L819 WeakPolarHBondContact OH-CD1 3.33Å; I785-L819 HydrophobicContact CG2-CD1 3.99Å; I785-L819 HydrophobicContact CG2-CG 4.26Å; I787-L819 HydrophobicContact CD1-CD2 3.89Å; I787-L819 HydrophobicContact CD1-CG 3.82Å; R815-L819 PolarHBondContact O-N 2.95Å; R815-L819 VanDerWaalsContact O-N 3.13Å; R816-L819 WeakPolarHBondContact O-CB 3.49Å; R816-L819 PolarHBondContact O-N 3.11Å; L819-R822 PolarHBondContact O-N 3.43Å; L819-F823 PolarHBondContact O-N 3.12Å |
| 820 | H | 90.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 178.6 | -88 | -84.3 | 0 | 0 | 0 | 113 | W764 Y767 E788 F791 I792 R816 L817 S818 Y824 | W764-H820 HydrophobicContact CH2-CB 4.22Å; W764-H820 HydrophobicContact CZ3-CB 4.31Å; Y767-H820 HydrophobicContact CE1-CB 4.22Å; Y767-H820 WeakPolarHBondContact CE1-O 3.16Å; Y767-H820 PolarHBondContact OH-O 2.93Å; E788-H820 PolarHBondContact N-CE1 2.93Å; E788-H820 VanDerWaalsContact N-CE1 3.34Å; E788-H820 PolarHBondContact N-NE2 3.43Å; E788-H820 PolarHBondContact O-CE1 3.1Å; F791-H820 HydrophobicContact CD1-CB 4.39Å; F791-H820 AromaticContact CD1-CD2 3.35Å; F791-H820 WeakPolarHBondContact CD1-CD2 3.48Å; F791-H820 AromaticContact CD1-CE1 3.91Å; F791-H820 AromaticContact CD1-CG 3.68Å; F791-H820 AromaticContact CD1-NE2 3.52Å; F791-H820 HydrophobicContact CE1-CB 4.29Å; F791-H820 AromaticContact CE1-CD2 3.78Å; F791-H820 AromaticContact CG-CD2 3.97Å; F791-H820 AromaticContact CG-NE2 3.76Å; I792-H820 WeakPolarHBondContact CG1-ND1 3.48Å; R816-H820 PolarHBondContact O-CD2 3.13Å; R816-H820 PolarHBondContact O-N 3.11Å; L817-H820 PolarHBondContact O-N 3.47Å; S818-H820 PolarHBondContact O-N 2.59Å; H820-Y824 PolarHBondContact O-N 3.06Å; H820-Y824 VanDerWaalsContact O-N 3.16Å |
| 821 | R | 88.3 | Confident | 83.1 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 174.3 | -74.4 | 177.9 | 165.3 | -178 | -8.3 | 111.6 | D757 G759 A760 L762 L817 S818 Y824 T825 | D757-R821 WeakPolarHBondContact OD1-CD 3.36Å; D757-R821 IonicContact OD1-CZ 3.79Å; D757-R821 IonicContact OD1-NE 2.65Å; D757-R821 IonicContact OD1-NH1 2.68Å; D757-R821 PolarHBondContact OD1-NH1 2.87Å; D757-R821 IonicContact OD2-CZ 2.72Å; D757-R821 IonicContact OD2-NH1 3.74Å; D757-R821 PolarHBondContact OD2-NH1 3.04Å; G759-R821 WeakPolarHBondContact O-CD 3.33Å; G759-R821 VanDerWaalsContact O-CZ 3.28Å; G759-R821 PolarHBondContact O-NE 3.21Å; G759-R821 PolarHBondContact O-NH2 2.95Å; A760-R821 PolarHBondContact O-NH2 3.36Å; L762-R821 HydrophobicContact CD1-CB 4.36Å; L762-R821 HydrophobicContact CD1-CG 3.95Å; L817-R821 WeakPolarHBondContact O-CB 3.5Å; L817-R821 WeakPolarHBondContact O-CG 3.28Å; L817-R821 PolarHBondContact O-N 3.04Å; S818-R821 PolarHBondContact O-N 2.95Å; R821-Y824 WeakPolarHBondContact O-CB 3.22Å; R821-Y824 PolarHBondContact O-N 3.47Å; R821-T825 PolarHBondContact O-N 3.41Å; R821-T825 PolarHBondContact O-OG1 3.3Å |
| 822 | R | 90.4 | Very high | 84.7 | Confident | 19 Ų | 19 | 40.6 Ų | 40.6 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67 | -37.8 | 178.8 | -175.4 | 158.1 | 161.5 | -119.5 | 3.9 | 112.7 | E731 Y749 T752 S818 L819 T825 A826 | E731-R822 IonicContact OE1-CZ 2.75Å; E731-R822 IonicContact OE1-NH1 2.89Å; E731-R822 PolarHBondContact OE1-NH1 2.61Å; E731-R822 IonicContact OE2-CZ 2.68Å; E731-R822 IonicContact OE2-NH1 3.16Å; E731-R822 PolarHBondContact OE2-NH1 2.86Å; E731-R822 IonicContact OE2-NH2 2.65Å; E731-R822 PolarHBondContact OE2-NH2 3.2Å; Y749-R822 HydrophobicContact CD2-CG 4.41Å; Y749-R822 HydrophobicContact CE2-CB 4.32Å; Y749-R822 HydrophobicContact CE2-CG 3.87Å; Y749-R822 PolarHBondContact O-NH2 3.39Å; Y749-R822 PolarHBondContact OH-NH1 2.78Å; T752-R822 HydrophobicContact CG2-CG 3.78Å; T752-R822 PolarHBondContact O-NE 2.73Å; T752-R822 PolarHBondContact O-NH2 3.17Å; S818-R822 WeakPolarHBondContact O-CB 3.09Å; S818-R822 PolarHBondContact O-N 3.48Å; L819-R822 PolarHBondContact O-N 3.43Å; R822-T825 WeakPolarHBondContact O-CB 3.37Å; R822-T825 PolarHBondContact O-N 3.15Å; R822-A826 PolarHBondContact O-N 3.28Å |
| 823 | F | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.3 | -35.5 | 173.3 | -172.8 | -102.6 | 0 | 0 | 0 | 113 | L745 Y749 Y767 Y771 L774 A782 I785 I787 L819 A826 L827 | L745-F823 HydrophobicContact CD2-CE2 4.03Å; L745-F823 HydrophobicContact CD2-CZ 3.89Å; L745-F823 HydrophobicContact CG-CE2 4.31Å; Y749-F823 HydrophobicContact CD2-CB 4.44Å; Y749-F823 HydrophobicContact CD2-CD2 4.15Å; Y749-F823 HydrophobicContact CE2-CB 4.49Å; Y767-F823 HydrophobicContact CE2-CD1 4.29Å; Y771-F823 HydrophobicContact CD2-CE1 4.4Å; L774-F823 HydrophobicContact CD1-CE1 4.06Å; L774-F823 HydrophobicContact CD1-CZ 4.18Å; A782-F823 HydrophobicContact CB-CE1 3.91Å; A782-F823 HydrophobicContact CB-CE2 4.17Å; A782-F823 HydrophobicContact CB-CZ 3.53Å; I785-F823 HydrophobicContact CD1-CD2 3.75Å; I785-F823 HydrophobicContact CD1-CE2 3.84Å; I787-F823 HydrophobicContact CB-CD1 4.45Å; I787-F823 HydrophobicContact CD1-CB 3.47Å; I787-F823 VanDerWaalsContact CD1-CB 3.47Å; I787-F823 HydrophobicContact CD1-CD1 4.41Å; I787-F823 HydrophobicContact CD1-CG 3.92Å; I787-F823 HydrophobicContact CG1-CB 3.84Å; I787-F823 HydrophobicContact CG1-CD1 3.98Å; I787-F823 HydrophobicContact CG1-CD2 4.01Å; I787-F823 HydrophobicContact CG1-CG 3.68Å; I787-F823 HydrophobicContact CG2-CD1 3.88Å; I787-F823 HydrophobicContact CG2-CE1 4.25Å; I787-F823 HydrophobicContact CG2-CG 4.42Å; L819-F823 PolarHBondContact O-N 3.12Å; F823-A826 WeakPolarHBondContact O-CB 3.45Å; F823-A826 PolarHBondContact O-N 2.93Å; F823-L827 HydrophobicContact CD1-CD1 4.22Å; F823-L827 HydrophobicContact CD1-CG 4.24Å; F823-L827 HydrophobicContact CE1-CD1 3.92Å; F823-L827 HydrophobicContact CE1-CD2 4.06Å; F823-L827 HydrophobicContact CE1-CG 3.97Å; F823-L827 HydrophobicContact CZ-CD2 4.04Å; F823-L827 HydrophobicContact CZ-CG 4.38Å; F823-L827 WeakPolarHBondContact O-CG 2.99Å; F823-L827 PolarHBondContact O-N 3.34Å |
| 824 | Y | 91.6 | Very high | 87.6 | Confident | 10 Ų | 10 | 36.4 Ų | 36.4 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 170.8 | -172.8 | -104.2 | 0 | 0 | 0 | 111.6 | L762 C766 Y767 H820 R821 A826 L827 V828 F845 | L762-Y824 HydrophobicContact CD1-CD1 3.77Å; L762-Y824 HydrophobicContact CD1-CD2 4.45Å; L762-Y824 HydrophobicContact CD1-CG 3.72Å; L762-Y824 HydrophobicContact CD2-CD1 4.39Å; L762-Y824 HydrophobicContact CD2-CD2 4.2Å; L762-Y824 HydrophobicContact CD2-CE1 4.49Å; L762-Y824 HydrophobicContact CD2-CE2 4.29Å; L762-Y824 HydrophobicContact CD2-CG 4.24Å; L762-Y824 HydrophobicContact CG-CD1 3.73Å; L762-Y824 HydrophobicContact CG-CD2 4.38Å; L762-Y824 HydrophobicContact CG-CE1 3.96Å; L762-Y824 HydrophobicContact CG-CG 3.94Å; C766-Y824 PolarHBondContact SG-OH 2.68Å; Y767-Y824 HydrophobicContact CD1-CD2 4.07Å; Y767-Y824 AromaticContact CD2-CD2 3.55Å; Y767-Y824 HydrophobicContact CD2-CD2 3.55Å; Y767-Y824 HydrophobicContact CD2-CE2 4.24Å; Y767-Y824 HydrophobicContact CE1-CD2 4.47Å; Y767-Y824 HydrophobicContact CE2-CD2 4.05Å; Y767-Y824 AromaticContact CG-CD2 3.56Å; Y767-Y824 HydrophobicContact CG-CD2 3.56Å; Y767-Y824 HydrophobicContact CG-CE2 4.07Å; Y767-Y824 HydrophobicContact CG-CG 4.45Å; H820-Y824 PolarHBondContact O-N 3.06Å; H820-Y824 VanDerWaalsContact O-N 3.16Å; R821-Y824 WeakPolarHBondContact O-CB 3.22Å; R821-Y824 PolarHBondContact O-N 3.47Å; Y824-A826 VanDerWaalsContact C-N 3.29Å; Y824-A826 PolarHBondContact O-N 3.23Å; Y824-L827 WeakPolarHBondContact O-CB 3.26Å; Y824-L827 PolarHBondContact O-N 2.75Å; Y824-L827 VanDerWaalsContact O-N 3.16Å; Y824-V828 HydrophobicContact CE1-CG2 4.44Å; Y824-V828 WeakPolarHBondContact O-CG2 3.41Å; Y824-V828 PolarHBondContact O-N 3.28Å; Y824-V828 VanDerWaalsContact O-N 3.07Å; Y824-F845 HydrophobicContact CE1-CD1 4.34Å; Y824-F845 AromaticContact CE2-CD1 3.81Å; Y824-F845 HydrophobicContact CE2-CD1 3.81Å; Y824-F845 HydrophobicContact CE2-CE1 4.38Å; Y824-F845 AromaticContact CZ-CD1 3.72Å; Y824-F845 PolarHBondContact OH-O 3.25Å |
| 825 | T | 91.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.8 | -37.8 | 173.5 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | T752 V758 R821 R822 V828 L829 L855 | T752-T825 HydrophobicContact CG2-CG2 3.59Å; V758-T825 HydrophobicContact CB-CG2 4.34Å; V758-T825 HydrophobicContact CG2-CG2 3.89Å; R821-T825 PolarHBondContact O-N 3.41Å; R821-T825 PolarHBondContact O-OG1 3.3Å; R822-T825 WeakPolarHBondContact O-CB 3.37Å; R822-T825 PolarHBondContact O-N 3.15Å; T825-V828 WeakPolarHBondContact O-CB 3.39Å; T825-V828 PolarHBondContact O-N 3.35Å; T825-L829 WeakPolarHBondContact O-CG 3.46Å; T825-L829 PolarHBondContact O-N 2.94Å; T825-L855 HydrophobicContact CG2-CD1 3.63Å; T825-L855 HydrophobicContact CG2-CD2 3.61Å; T825-L855 HydrophobicContact CG2-CG 4.25Å |
| 826 | A | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L745 V748 Y749 T752 R822 F823 Y824 V828 L829 Y830 | L745-A826 HydrophobicContact CD1-CB 4.47Å; V748-A826 WeakPolarHBondContact CG1-O 3.47Å; Y749-A826 HydrophobicContact CD2-CB 4.13Å; T752-A826 WeakPolarHBondContact OG1-CA 3.29Å; T752-A826 WeakPolarHBondContact OG1-CB 3.46Å; R822-A826 PolarHBondContact O-N 3.28Å; F823-A826 WeakPolarHBondContact O-CB 3.45Å; F823-A826 PolarHBondContact O-N 2.93Å; Y824-A826 VanDerWaalsContact C-N 3.29Å; Y824-A826 PolarHBondContact O-N 3.23Å; A826-V828 VanDerWaalsContact C-N 3.34Å; A826-L829 PolarHBondContact O-N 3.22Å; A826-Y830 WeakPolarHBondContact O-CB 3.44Å; A826-Y830 PolarHBondContact O-N 3.01Å |
| 827 | L | 92.8 | Very high | 89 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 173.3 | -68.7 | -178.6 | 0 | 0 | 0 | 112 | L745 Y767 L774 F823 Y824 Y830 R831 F845 | L745-L827 HydrophobicContact CD1-CD2 3.87Å; L745-L827 HydrophobicContact CD2-CD2 3.8Å; Y767-L827 HydrophobicContact CE2-CD1 4.29Å; L774-L827 HydrophobicContact CD1-CD1 4.32Å; L774-L827 HydrophobicContact CD1-CD2 4.1Å; L774-L827 HydrophobicContact CD2-CD1 4.3Å; L774-L827 HydrophobicContact CD2-CD2 3.55Å; L774-L827 HydrophobicContact CG-CD2 4.46Å; F823-L827 HydrophobicContact CD1-CD1 4.22Å; F823-L827 HydrophobicContact CD1-CG 4.24Å; F823-L827 HydrophobicContact CE1-CD1 3.92Å; F823-L827 HydrophobicContact CE1-CD2 4.06Å; F823-L827 HydrophobicContact CE1-CG 3.97Å; F823-L827 HydrophobicContact CZ-CD2 4.04Å; F823-L827 HydrophobicContact CZ-CG 4.38Å; F823-L827 WeakPolarHBondContact O-CG 2.99Å; F823-L827 PolarHBondContact O-N 3.34Å; Y824-L827 WeakPolarHBondContact O-CB 3.26Å; Y824-L827 PolarHBondContact O-N 2.75Å; Y824-L827 VanDerWaalsContact O-N 3.16Å; L827-Y830 PolarHBondContact O-N 3.06Å; L827-R831 WeakPolarHBondContact O-CG 3.3Å; L827-R831 PolarHBondContact O-N 3.06Å; L827-R831 VanDerWaalsContact O-N 3.14Å; L827-F845 HydrophobicContact CB-CE1 4.02Å; L827-F845 HydrophobicContact CB-CZ 4.23Å |
| 828 | V | 91.3 | Very high | 89 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.024 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.3 | -50.1 | 175.2 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | Y824 T825 A826 Y830 R831 L832 V841 F845 L852 L855 | Y824-V828 HydrophobicContact CE1-CG2 4.44Å; Y824-V828 WeakPolarHBondContact O-CG2 3.41Å; Y824-V828 PolarHBondContact O-N 3.28Å; Y824-V828 VanDerWaalsContact O-N 3.07Å; T825-V828 WeakPolarHBondContact O-CB 3.39Å; T825-V828 PolarHBondContact O-N 3.35Å; A826-V828 VanDerWaalsContact C-N 3.34Å; V828-Y830 VanDerWaalsContact C-N 3.35Å; V828-Y830 PolarHBondContact O-N 3.27Å; V828-R831 PolarHBondContact O-N 3.25Å; V828-L832 PolarHBondContact O-N 3.36Å; V828-V841 HydrophobicContact CG1-CG1 3.99Å; V828-F845 HydrophobicContact CG2-CB 4.02Å; V828-F845 HydrophobicContact CG2-CD1 3.48Å; V828-F845 VanDerWaalsContact CG2-CD1 3.48Å; V828-F845 HydrophobicContact CG2-CD2 4.05Å; V828-F845 HydrophobicContact CG2-CE1 3.79Å; V828-F845 HydrophobicContact CG2-CE2 4.33Å; V828-F845 HydrophobicContact CG2-CG 3.61Å; V828-F845 HydrophobicContact CG2-CZ 4.21Å; V828-L852 HydrophobicContact CG1-CD1 3.2Å; V828-L855 HydrophobicContact CG1-CD2 4.18Å |
| 829 | L | 92.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -37.2 | 176.6 | -72 | 171.3 | 0 | 0 | 0 | 112.5 | V748 T752 T825 A826 R831 L832 V833 L855 A859 L889 | V748-L829 HydrophobicContact CG1-CB 3.55Å; T752-L829 HydrophobicContact CG2-CD1 4.15Å; T825-L829 WeakPolarHBondContact O-CG 3.46Å; T825-L829 PolarHBondContact O-N 2.94Å; A826-L829 PolarHBondContact O-N 3.22Å; L829-R831 VanDerWaalsContact C-N 3.3Å; L829-R831 PolarHBondContact O-N 3.06Å; L829-L832 HydrophobicContact CD2-CD1 4.43Å; L829-L832 PolarHBondContact O-N 3.13Å; L829-V833 WeakPolarHBondContact O-CG2 3.46Å; L829-V833 PolarHBondContact O-N 2.9Å; L829-L855 HydrophobicContact CD1-CD1 4.31Å; L829-L855 HydrophobicContact CD2-CD1 4.48Å; L829-L855 HydrophobicContact CD2-CD2 4.35Å; L829-L855 HydrophobicContact CD2-CG 3.99Å; L829-L855 HydrophobicContact CG-CD2 4.33Å; L829-L855 HydrophobicContact CG-CG 4.34Å; L829-A859 HydrophobicContact CD1-CB 3.6Å; L829-A859 HydrophobicContact CD2-CB 3.8Å; L829-A859 HydrophobicContact CG-CB 4.37Å; L829-L889 HydrophobicContact CB-CD2 4.25Å; L829-L889 HydrophobicContact CD2-CD2 4.05Å |
| 830 | Y | 93.9 | Very high | 88.7 | Confident | 25 Ų | 25 | 27.9 Ų | 27.9 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.6 | -33.9 | 179.5 | 178.4 | -120.1 | 0 | 0 | 0 | 111.6 | T743 E744 L745 V748 E778 A826 L827 V828 N834 | T743-Y830 PolarHBondContact OG1-OH 3.31Å; E744-Y830 HydrophobicContact CB-CE2 4.13Å; L745-Y830 HydrophobicContact CB-CD1 4.28Å; L745-Y830 HydrophobicContact CB-CD2 4.16Å; L745-Y830 HydrophobicContact CB-CE1 4.32Å; L745-Y830 HydrophobicContact CB-CE2 4.22Å; L745-Y830 HydrophobicContact CB-CG 4.21Å; L745-Y830 HydrophobicContact CD1-CD1 4.09Å; L745-Y830 HydrophobicContact CD1-CG 3.89Å; V748-Y830 HydrophobicContact CG2-CD2 4.25Å; E778-Y830 HydrophobicContact CG-CE1 4.06Å; A826-Y830 WeakPolarHBondContact O-CB 3.44Å; A826-Y830 PolarHBondContact O-N 3.01Å; L827-Y830 PolarHBondContact O-N 3.06Å; V828-Y830 VanDerWaalsContact C-N 3.35Å; V828-Y830 PolarHBondContact O-N 3.27Å; Y830-N834 WeakPolarHBondContact CD2-ND2 3.29Å; Y830-N834 WeakPolarHBondContact CE2-ND2 3.17Å; Y830-N834 PolarHBondContact O-N 3.12Å; Y830-N834 PolarHBondContact O-ND2 2.95Å |
| 831 | R | 91.9 | Very high | 88.6 | Confident | 56 Ų | 56 | 28 Ų | 28 | 21% | 0.211 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 171.9 | -66.7 | -48.5 | -176.4 | 167.4 | -9.9 | 112.3 | L827 V828 L829 V833 N834 E835 D836 V841 F845 | L827-R831 WeakPolarHBondContact O-CG 3.3Å; L827-R831 PolarHBondContact O-N 3.06Å; L827-R831 VanDerWaalsContact O-N 3.14Å; V828-R831 PolarHBondContact O-N 3.25Å; L829-R831 VanDerWaalsContact C-N 3.3Å; L829-R831 PolarHBondContact O-N 3.06Å; R831-V833 PolarHBondContact O-N 3.34Å; R831-N834 CarbonylContact O-C 3.58Å; R831-N834 PolarHBondContact O-N 3.34Å; R831-N834 VanDerWaalsContact O-N 3.14Å; R831-E835 PolarHBondContact O-N 2.92Å; R831-D836 HydrophobicContact CB-CB 3.96Å; R831-D836 WeakPolarHBondContact CB-OD2 3.39Å; R831-D836 WeakPolarHBondContact CD-OD2 3.16Å; R831-D836 WeakPolarHBondContact O-CB 3.48Å; R831-D836 PolarHBondContact O-N 3.44Å; R831-D836 VanDerWaalsContact O-N 3.12Å; R831-V841 HydrophobicContact CB-CG2 3.88Å; R831-F845 HydrophobicContact CB-CE2 4.37Å; R831-F845 HydrophobicContact CG-CE2 3.83Å; R831-F845 HydrophobicContact CG-CZ 3.98Å |
| 832 | L | 89 | Confident | 88.4 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 174.5 | -72.5 | 174.7 | 0 | 0 | 0 | 112.8 | V828 L829 N834 E835 L838 V841 L852 Q856 G892 | V828-L832 PolarHBondContact O-N 3.36Å; L829-L832 HydrophobicContact CD2-CD1 4.43Å; L829-L832 PolarHBondContact O-N 3.13Å; L832-N834 PolarHBondContact O-N 3.3Å; L832-E835 PolarHBondContact O-N 2.76Å; L832-L838 HydrophobicContact CD2-CD1 3.81Å; L832-L838 HydrophobicContact CD2-CG 3.96Å; L832-V841 HydrophobicContact CD2-CG2 4.19Å; L832-V841 HydrophobicContact CG-CG2 4.48Å; L832-L852 HydrophobicContact CD1-CD1 3.71Å; L832-L852 HydrophobicContact CD1-CG 4Å; L832-L852 HydrophobicContact CD2-CD2 4.22Å; L832-L852 HydrophobicContact CD2-CG 4.48Å; L832-L852 HydrophobicContact CG-CD1 4.36Å; L832-Q856 HydrophobicContact CD1-CB 4.12Å; L832-Q856 HydrophobicContact CD1-CG 4.17Å; L832-G892 CarbonylContact O-C 3.48Å; L832-G892 WeakPolarHBondContact O-CA 3.48Å |
| 833 | V | 89.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70 | -12.6 | -179.9 | 172.1 | 0 | 0 | 0 | 0 | 113 | L829 R831 F885 R888 L889 V893 S894 | L829-V833 WeakPolarHBondContact O-CG2 3.46Å; L829-V833 PolarHBondContact O-N 2.9Å; R831-V833 PolarHBondContact O-N 3.34Å; V833-F885 HydrophobicContact CG1-CD1 4.44Å; V833-F885 HydrophobicContact CG1-CE1 4.09Å; V833-R888 HydrophobicContact CG1-CB 4.48Å; V833-L889 HydrophobicContact CG2-CD2 3.54Å; V833-L889 HydrophobicContact CG2-CG 4.05Å; V833-V893 CarbonylContact O-C 3.54Å; V833-V893 VanDerWaalsContact O-C 3.27Å; V833-S894 PolarHBondContact O-N 2.91Å |
| 834 | N | 89.4 | Confident | 87.7 | Confident | 75 Ų | 75 | 36.7 Ų | 36.7 | 40% | 0.401 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 22.6 | 170.2 | -72 | -91.3 | 0 | 0 | 0 | 112.5 | Y830 R831 L832 D836 | Y830-N834 WeakPolarHBondContact CD2-ND2 3.29Å; Y830-N834 WeakPolarHBondContact CE2-ND2 3.17Å; Y830-N834 PolarHBondContact O-N 3.12Å; Y830-N834 PolarHBondContact O-ND2 2.95Å; R831-N834 CarbonylContact O-C 3.58Å; R831-N834 PolarHBondContact O-N 3.34Å; R831-N834 VanDerWaalsContact O-N 3.14Å; L832-N834 PolarHBondContact O-N 3.3Å; N834-D836 VanDerWaalsContact C-N 3.27Å; N834-D836 PolarHBondContact O-N 3.05Å |
| 835 | E | 87.8 | Confident | 87.4 | Confident | 57 Ų | 57 | 36.5 Ų | 36.5 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 17.9 | 172.7 | -60.5 | 164.3 | -121.9 | 0 | 0 | 115.6 | R831 L832 G837 V893 S894 L897 R913 | R831-E835 PolarHBondContact O-N 2.92Å; L832-E835 PolarHBondContact O-N 2.76Å; E835-G837 PolarHBondContact O-N 3.32Å; E835-V893 HydrophobicContact CG-CB 4.38Å; E835-V893 HydrophobicContact CG-CG1 4.32Å; E835-S894 WeakPolarHBondContact OE1-CB 3.48Å; E835-S894 PolarHBondContact OE1-N 2.71Å; E835-S894 PolarHBondContact OE1-OG 2.81Å; E835-L897 WeakPolarHBondContact OE2-CD1 3.18Å; E835-R913 IonicContact OE1-CZ 3.79Å; E835-R913 IonicContact OE1-NE 3.85Å; E835-R913 IonicContact OE1-NH2 2.95Å; E835-R913 PolarHBondContact OE1-NH2 3.2Å; E835-R913 IonicContact OE2-CZ 3.2Å; E835-R913 IonicContact OE2-NE 2.73Å; E835-R913 PolarHBondContact OE2-NE 3.47Å; E835-R913 IonicContact OE2-NH2 2.73Å; E835-R913 PolarHBondContact OE2-NH2 2.88Å |
| 836 | D | 84.5 | Confident | 86.9 | Confident | 42 Ų | 42 | 39.8 Ų | 39.8 | 23% | 0.225 | 22% | 0.216 | C | C | . | . | trans | -62.3 | 107.6 | 160 | -85.4 | -5.7 | 0 | 0 | 0 | 106.6 | R831 N834 V841 K844 | R831-D836 HydrophobicContact CB-CB 3.96Å; R831-D836 WeakPolarHBondContact CB-OD2 3.39Å; R831-D836 WeakPolarHBondContact CD-OD2 3.16Å; R831-D836 WeakPolarHBondContact O-CB 3.48Å; R831-D836 PolarHBondContact O-N 3.44Å; R831-D836 VanDerWaalsContact O-N 3.12Å; N834-D836 VanDerWaalsContact C-N 3.27Å; N834-D836 PolarHBondContact O-N 3.05Å; D836-V841 HydrophobicContact CB-CG2 3.47Å; D836-V841 VanDerWaalsContact CB-CG2 3.47Å; D836-V841 WeakPolarHBondContact O-CG2 3.36Å; D836-K844 IonicContact OD2-NZ 3.8Å; D836-K844 PolarHBondContact OD2-NZ 3.39Å | ||
| 837 | G | 77.9 | Confident | 86.2 | Confident | 33 Ų | 33 | 41 Ų | 41 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | trans | -58.5 | 149.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | E835 Q839 I840 V841 | E835-G837 PolarHBondContact O-N 3.32Å; G837-Q839 VanDerWaalsContact C-N 3.26Å; G837-Q839 PolarHBondContact O-N 3.38Å; G837-I840 WeakPolarHBondContact O-CA 3.41Å; G837-I840 WeakPolarHBondContact O-CB 3.47Å; G837-I840 PolarHBondContact O-N 2.72Å; G837-V841 PolarHBondContact O-N 3.49Å; G837-V841 VanDerWaalsContact O-N 3.09Å | ||
| 838 | L | 82.5 | Confident | 85.6 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -50.1 | -42.4 | -169 | -87 | 75.2 | 0 | 0 | 0 | 113.6 | T439 L832 I840 V841 A842 L852 Q853 | T439-L838 HydrophobicContact CG2-CD2 4.48Å; L832-L838 HydrophobicContact CD2-CD1 3.81Å; L832-L838 HydrophobicContact CD2-CG 3.96Å; L838-I840 VanDerWaalsContact C-N 3.34Å; L838-I840 PolarHBondContact O-N 2.64Å; L838-V841 PolarHBondContact O-N 2.72Å; L838-A842 WeakPolarHBondContact O-CB 3.01Å; L838-A842 PolarHBondContact O-N 2.96Å; L838-L852 HydrophobicContact CB-CD2 4.27Å; L838-L852 HydrophobicContact CG-CD2 4.21Å; L838-L852 WeakPolarHBondContact O-CD2 3.45Å; L838-Q853 HydrophobicContact CD2-CB 3.97Å; L838-Q853 HydrophobicContact CD2-CG 4.36Å |
| 839 | Q | 79.6 | Confident | 85.2 | Confident | 73 Ų | 73 | 43.8 Ų | 43.8 | 34% | 0.341 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.5 | -30.5 | -179.8 | -173.8 | 68.8 | -15.7 | 0 | 0 | 112.9 | A417 G837 K843 | A417-Q839 WeakPolarHBondContact O-CB 3.48Å; A417-Q839 WeakPolarHBondContact O-CG 3.37Å; G837-Q839 VanDerWaalsContact C-N 3.26Å; G837-Q839 PolarHBondContact O-N 3.38Å; Q839-K843 VanDerWaalsContact O-CB 3.3Å; Q839-K843 WeakPolarHBondContact O-CB 3.3Å; Q839-K843 PolarHBondContact O-N 3.31Å |
| 840 | I | 84.1 | Confident | 84.6 | Confident | 105 Ų | 105 | 44.1 Ų | 44.1 | 54% | 0.538 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.3 | -49.5 | 174.4 | -57.2 | 176.4 | 0 | 0 | 0 | 109.4 | G837 L838 K843 K844 | G837-I840 WeakPolarHBondContact O-CA 3.41Å; G837-I840 WeakPolarHBondContact O-CB 3.47Å; G837-I840 PolarHBondContact O-N 2.72Å; L838-I840 VanDerWaalsContact C-N 3.34Å; L838-I840 PolarHBondContact O-N 2.64Å; I840-K843 PolarHBondContact O-N 2.54Å; I840-K844 WeakPolarHBondContact O-CB 3.38Å; I840-K844 PolarHBondContact O-N 3.48Å |
| 841 | V | 87.5 | Confident | 84 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 179.1 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | V828 R831 L832 D836 G837 L838 K843 K844 F845 L852 | V828-V841 HydrophobicContact CG1-CG1 3.99Å; R831-V841 HydrophobicContact CB-CG2 3.88Å; L832-V841 HydrophobicContact CD2-CG2 4.19Å; L832-V841 HydrophobicContact CG-CG2 4.48Å; D836-V841 HydrophobicContact CB-CG2 3.47Å; D836-V841 VanDerWaalsContact CB-CG2 3.47Å; D836-V841 WeakPolarHBondContact O-CG2 3.36Å; G837-V841 PolarHBondContact O-N 3.49Å; G837-V841 VanDerWaalsContact O-N 3.09Å; L838-V841 PolarHBondContact O-N 2.72Å; V841-K843 VanDerWaalsContact C-N 3.35Å; V841-K843 PolarHBondContact O-N 3.32Å; V841-K844 PolarHBondContact O-N 3.09Å; V841-K844 VanDerWaalsContact O-N 3.15Å; V841-F845 HydrophobicContact CG1-CD2 3.81Å; V841-F845 HydrophobicContact CG1-CE2 4.08Å; V841-F845 WeakPolarHBondContact O-CD2 3.39Å; V841-F845 PolarHBondContact O-N 3.46Å; V841-L852 HydrophobicContact CB-CD2 3.81Å; V841-L852 HydrophobicContact CG1-CD1 4.06Å; V841-L852 HydrophobicContact CG1-CD2 3.78Å |
| 842 | A | 83.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 7% | 0.066 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -51.3 | -53.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L838 K844 G846 V847 R849 L852 | L838-A842 WeakPolarHBondContact O-CB 3.01Å; L838-A842 PolarHBondContact O-N 2.96Å; A842-K844 VanDerWaalsContact C-N 3.33Å; A842-K844 PolarHBondContact O-N 2.71Å; A842-G846 PolarHBondContact O-N 2.72Å; A842-G846 VanDerWaalsContact O-N 3.11Å; A842-V847 CarbonylContact C-O 3.56Å; A842-V847 VanDerWaalsContact C-O 3.29Å; A842-V847 WeakPolarHBondContact CA-O 3.02Å; A842-V847 WeakPolarHBondContact CB-O 3.36Å; A842-V847 PolarHBondContact O-N 2.91Å; A842-V847 VanDerWaalsContact O-N 3.09Å; A842-V847 VanDerWaalsContact O-O 3.06Å; A842-R849 HydrophobicContact CB-CB 4.05Å; A842-L852 HydrophobicContact CB-CD2 4.32Å |
| 843 | K | 83.1 | Confident | 83.5 | Confident | 185 Ų | 185 | 44.5 Ų | 44.5 | 80% | 0.804 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -68.4 | -28.5 | -179.2 | -164.5 | 172.9 | -174.5 | 176.3 | 0 | 113.7 | Q839 I840 V841 | Q839-K843 VanDerWaalsContact O-CB 3.3Å; Q839-K843 WeakPolarHBondContact O-CB 3.3Å; Q839-K843 PolarHBondContact O-N 3.31Å; I840-K843 PolarHBondContact O-N 2.54Å; V841-K843 VanDerWaalsContact C-N 3.35Å; V841-K843 PolarHBondContact O-N 3.32Å |
| 844 | K | 85.2 | Confident | 83.1 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 27% | 0.27 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -80.1 | -26.2 | -178.7 | 176.4 | 175.5 | 171.8 | -179.8 | 0 | 114 | Q770 D836 I840 V841 A842 | Q770-K844 PolarHBondContact NE2-O 2.67Å; D836-K844 IonicContact OD2-NZ 3.8Å; D836-K844 PolarHBondContact OD2-NZ 3.39Å; I840-K844 WeakPolarHBondContact O-CB 3.38Å; I840-K844 PolarHBondContact O-N 3.48Å; V841-K844 PolarHBondContact O-N 3.09Å; V841-K844 VanDerWaalsContact O-N 3.15Å; A842-K844 VanDerWaalsContact C-N 3.33Å; A842-K844 PolarHBondContact O-N 2.71Å |
| 845 | F | 86.1 | Confident | 82.9 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -113.2 | 4 | -179.2 | -71.1 | -93.4 | 0 | 0 | 0 | 113.7 | Q770 Y824 L827 V828 R831 V841 V847 | Q770-F845 HydrophobicContact CB-CE1 4.18Å; Q770-F845 HydrophobicContact CG-CD1 3.97Å; Q770-F845 HydrophobicContact CG-CE1 3.72Å; Q770-F845 HydrophobicContact CG-CZ 4.29Å; Y824-F845 HydrophobicContact CE1-CD1 4.34Å; Y824-F845 AromaticContact CE2-CD1 3.81Å; Y824-F845 HydrophobicContact CE2-CD1 3.81Å; Y824-F845 HydrophobicContact CE2-CE1 4.38Å; Y824-F845 AromaticContact CZ-CD1 3.72Å; Y824-F845 PolarHBondContact OH-O 3.25Å; L827-F845 HydrophobicContact CB-CE1 4.02Å; L827-F845 HydrophobicContact CB-CZ 4.23Å; V828-F845 HydrophobicContact CG2-CB 4.02Å; V828-F845 HydrophobicContact CG2-CD1 3.48Å; V828-F845 VanDerWaalsContact CG2-CD1 3.48Å; V828-F845 HydrophobicContact CG2-CD2 4.05Å; V828-F845 HydrophobicContact CG2-CE1 3.79Å; V828-F845 HydrophobicContact CG2-CE2 4.33Å; V828-F845 HydrophobicContact CG2-CG 3.61Å; V828-F845 HydrophobicContact CG2-CZ 4.21Å; R831-F845 HydrophobicContact CB-CE2 4.37Å; R831-F845 HydrophobicContact CG-CE2 3.83Å; R831-F845 HydrophobicContact CG-CZ 3.98Å; V841-F845 HydrophobicContact CG1-CD2 3.81Å; V841-F845 HydrophobicContact CG1-CE2 4.08Å; V841-F845 WeakPolarHBondContact O-CD2 3.39Å; V841-F845 PolarHBondContact O-N 3.46Å; F845-V847 HydrophobicContact CB-CG2 3.99Å; F845-V847 PolarHBondContact O-N 3.25Å |
| 846 | G | 78.9 | Confident | 82.8 | Confident | 73 Ų | 73 | 41.5 Ų | 41.5 | 75% | 0.753 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 7.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | A842 | A842-G846 PolarHBondContact O-N 2.72Å; A842-G846 VanDerWaalsContact O-N 3.11Å |
| 847 | V | 79.1 | Confident | 82.7 | Confident | 26 Ų | 26 | 42.1 Ų | 42.1 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | trans | -89.9 | 139.2 | -175.8 | -176 | 0 | 0 | 0 | 0 | 109.6 | A842 F845 L851 | A842-V847 CarbonylContact C-O 3.56Å; A842-V847 VanDerWaalsContact C-O 3.29Å; A842-V847 WeakPolarHBondContact CA-O 3.02Å; A842-V847 WeakPolarHBondContact CB-O 3.36Å; A842-V847 PolarHBondContact O-N 2.91Å; A842-V847 VanDerWaalsContact O-N 3.09Å; A842-V847 VanDerWaalsContact O-O 3.06Å; F845-V847 HydrophobicContact CB-CG2 3.99Å; F845-V847 PolarHBondContact O-N 3.25Å; V847-L851 HydrophobicContact CG1-CD2 4.22Å; V847-L851 HydrophobicContact CG1-CG 4.39Å | ||
| 848 | N | 79.3 | Confident | 82.9 | Confident | 51 Ų | 51 | 43.6 Ų | 43.6 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | trans | -71.2 | 139.8 | 176.5 | 168.5 | -86.5 | 0 | 0 | 0 | 112.8 | G437 G850 L851 L852 | G437-N848 VanDerWaalsContact CA-ND2 3.3Å; G437-N848 WeakPolarHBondContact CA-ND2 3.25Å; G437-N848 WeakPolarHBondContact CA-OD1 3.28Å; G437-N848 VanDerWaalsContact O-CG 3.3Å; G437-N848 PolarHBondContact O-ND2 3.43Å; G437-N848 PolarHBondContact O-OD1 3.28Å; G437-N848 VanDerWaalsContact O-OD1 3.05Å; N848-G850 PolarHBondContact O-N 3.01Å; N848-G850 PolarHBondContact OD1-N 3.22Å; N848-L851 HydrophobicContact CB-CB 4.41Å; N848-L851 WeakPolarHBondContact O-CB 3.14Å; N848-L851 PolarHBondContact O-N 3.13Å; N848-L851 VanDerWaalsContact O-N 3.16Å; N848-L851 PolarHBondContact OD1-N 3.17Å; N848-L851 VanDerWaalsContact OD1-N 3.16Å; N848-L852 WeakPolarHBondContact O-CB 3.4Å; N848-L852 PolarHBondContact O-N 3.19Å | ||
| 849 | R | 84.5 | Confident | 83.1 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 6% | 0.057 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -34.8 | -176.5 | 61.5 | 173.6 | 177.2 | -100.4 | -9.7 | 116 | D420 T439 E442 A842 L852 Q853 | D420-R849 IonicContact OD2-CZ 3.09Å; D420-R849 IonicContact OD2-NH1 2.95Å; D420-R849 PolarHBondContact OD2-NH1 2.83Å; D420-R849 IonicContact OD2-NH2 3.24Å; D420-R849 PolarHBondContact OD2-NH2 3.35Å; T439-R849 HydrophobicContact CG2-CB 4.45Å; T439-R849 HydrophobicContact CG2-CG 4.22Å; E442-R849 VanDerWaalsContact CD-NE 3.28Å; E442-R849 IonicContact OE1-CZ 3.73Å; E442-R849 IonicContact OE1-NE 2.98Å; E442-R849 PolarHBondContact OE1-NE 3.11Å; E442-R849 IonicContact OE1-NH2 3.05Å; E442-R849 PolarHBondContact OE1-NH2 2.88Å; E442-R849 IonicContact OE2-CZ 2.71Å; E442-R849 IonicContact OE2-NE 3.28Å; E442-R849 PolarHBondContact OE2-NE 3.38Å; E442-R849 IonicContact OE2-NH2 3.66Å; A842-R849 HydrophobicContact CB-CB 4.05Å; R849-L852 WeakPolarHBondContact O-CB 3.41Å; R849-L852 PolarHBondContact O-N 3.38Å; R849-Q853 PolarHBondContact O-N 3.04Å |
| 850 | G | 79.7 | Confident | 83.4 | Confident | 6 Ų | 6 | 39 Ų | 39 | 6% | 0.062 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.7 | -36.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G437 L438 N848 S854 | G437-G850 PolarHBondContact O-N 3.46Å; L438-G850 WeakPolarHBondContact O-CA 3.49Å; N848-G850 PolarHBondContact O-N 3.01Å; N848-G850 PolarHBondContact OD1-N 3.22Å; G850-S854 WeakPolarHBondContact O-CB 3.43Å; G850-S854 PolarHBondContact O-N 2.9Å |
| 851 | L | 80.8 | Confident | 83.2 | Confident | 74 Ų | 74 | 35.2 Ų | 35.2 | 39% | 0.387 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.4 | -38.5 | 171.1 | 179 | 60.4 | 0 | 0 | 0 | 111.4 | V758 V847 N848 S854 L855 | V758-L851 HydrophobicContact CG1-CD2 4.42Å; V847-L851 HydrophobicContact CG1-CD2 4.22Å; V847-L851 HydrophobicContact CG1-CG 4.39Å; N848-L851 HydrophobicContact CB-CB 4.41Å; N848-L851 WeakPolarHBondContact O-CB 3.14Å; N848-L851 PolarHBondContact O-N 3.13Å; N848-L851 VanDerWaalsContact O-N 3.16Å; N848-L851 PolarHBondContact OD1-N 3.17Å; N848-L851 VanDerWaalsContact OD1-N 3.16Å; L851-S854 WeakPolarHBondContact O-CB 3.46Å; L851-S854 PolarHBondContact O-N 2.99Å; L851-L855 WeakPolarHBondContact O-CB 2.99Å; L851-L855 PolarHBondContact O-N 3.41Å |
| 852 | L | 85 | Confident | 83.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 176.4 | -178 | 62.2 | 0 | 0 | 0 | 111.9 | V828 L832 L838 V841 A842 N848 R849 S854 L855 Q856 | V828-L852 HydrophobicContact CG1-CD1 3.2Å; L832-L852 HydrophobicContact CD1-CD1 3.71Å; L832-L852 HydrophobicContact CD1-CG 4Å; L832-L852 HydrophobicContact CD2-CD2 4.22Å; L832-L852 HydrophobicContact CD2-CG 4.48Å; L832-L852 HydrophobicContact CG-CD1 4.36Å; L838-L852 HydrophobicContact CB-CD2 4.27Å; L838-L852 HydrophobicContact CG-CD2 4.21Å; L838-L852 WeakPolarHBondContact O-CD2 3.45Å; V841-L852 HydrophobicContact CB-CD2 3.81Å; V841-L852 HydrophobicContact CG1-CD1 4.06Å; V841-L852 HydrophobicContact CG1-CD2 3.78Å; A842-L852 HydrophobicContact CB-CD2 4.32Å; N848-L852 WeakPolarHBondContact O-CB 3.4Å; N848-L852 PolarHBondContact O-N 3.19Å; R849-L852 WeakPolarHBondContact O-CB 3.41Å; R849-L852 PolarHBondContact O-N 3.38Å; L852-S854 VanDerWaalsContact C-N 3.33Å; L852-S854 PolarHBondContact O-N 3.42Å; L852-L855 PolarHBondContact O-N 3.19Å; L852-Q856 VanDerWaalsContact O-CB 3.29Å; L852-Q856 WeakPolarHBondContact O-CB 3.49Å; L852-Q856 PolarHBondContact O-N 2.7Å |
| 853 | Q | 84.8 | Confident | 83.4 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 9% | 0.093 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -37.1 | 173.7 | -166.6 | -176.6 | 42.6 | 0 | 0 | 111.8 | T439 E441 L838 R849 Q856 Q857 | T439-Q853 VanDerWaalsContact CA-OE1 3.24Å; T439-Q853 VanDerWaalsContact CB-OE1 3.27Å; E441-Q853 PolarHBondContact OE1-NE2 3.37Å; E441-Q853 PolarHBondContact OE2-NE2 3.01Å; L838-Q853 HydrophobicContact CD2-CB 3.97Å; L838-Q853 HydrophobicContact CD2-CG 4.36Å; R849-Q853 PolarHBondContact O-N 3.04Å; Q853-Q856 WeakPolarHBondContact O-CB 3.38Å; Q853-Q856 PolarHBondContact O-N 2.88Å; Q853-Q857 PolarHBondContact O-N 2.95Å; Q853-Q857 VanDerWaalsContact O-N 3.12Å; Q853-Q857 PolarHBondContact O-OE1 2.92Å |
| 854 | S | 81.1 | Confident | 83.3 | Confident | 59 Ų | 59 | 26.2 Ų | 26.2 | 41% | 0.413 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 174.9 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | G850 L851 L852 Q858 | G850-S854 WeakPolarHBondContact O-CB 3.43Å; G850-S854 PolarHBondContact O-N 2.9Å; L851-S854 WeakPolarHBondContact O-CB 3.46Å; L851-S854 PolarHBondContact O-N 2.99Å; L852-S854 VanDerWaalsContact C-N 3.33Å; L852-S854 PolarHBondContact O-N 3.42Å; S854-Q858 WeakPolarHBondContact O-CG 3.3Å; S854-Q858 PolarHBondContact O-N 2.97Å; S854-Q858 PolarHBondContact O-NE2 3Å; S854-Q858 PolarHBondContact OG-NE2 2.73Å |
| 855 | L | 84.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 172.6 | 164.2 | 60.7 | 0 | 0 | 0 | 111.1 | L756 V758 T825 V828 L829 L851 L852 Q857 Q858 A859 | L756-L855 HydrophobicContact CD1-CD1 4.26Å; V758-L855 HydrophobicContact CG1-CD2 4.39Å; V758-L855 HydrophobicContact CG2-CD1 4.07Å; V758-L855 HydrophobicContact CG2-CD2 4.47Å; T825-L855 HydrophobicContact CG2-CD1 3.63Å; T825-L855 HydrophobicContact CG2-CD2 3.61Å; T825-L855 HydrophobicContact CG2-CG 4.25Å; V828-L855 HydrophobicContact CG1-CD2 4.18Å; L829-L855 HydrophobicContact CD1-CD1 4.31Å; L829-L855 HydrophobicContact CD2-CD1 4.48Å; L829-L855 HydrophobicContact CD2-CD2 4.35Å; L829-L855 HydrophobicContact CD2-CG 3.99Å; L829-L855 HydrophobicContact CG-CD2 4.33Å; L829-L855 HydrophobicContact CG-CG 4.34Å; L851-L855 WeakPolarHBondContact O-CB 2.99Å; L851-L855 PolarHBondContact O-N 3.41Å; L852-L855 PolarHBondContact O-N 3.19Å; L855-Q857 VanDerWaalsContact C-N 3.34Å; L855-Q857 PolarHBondContact O-N 3.47Å; L855-Q858 PolarHBondContact O-N 2.84Å; L855-Q858 VanDerWaalsContact O-N 3.13Å; L855-A859 WeakPolarHBondContact O-CB 3.38Å; L855-A859 PolarHBondContact O-N 3.35Å |
| 856 | Q | 87.4 | Confident | 83.5 | Confident | 7 Ų | 7 | 24.6 Ų | 24.6 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.1 | -49.2 | 179.7 | -178.2 | -179.8 | -2.1 | 0 | 0 | 111.9 | L832 L852 Q853 Q858 A859 A860 L889 C890 Y891 G892 | L832-Q856 HydrophobicContact CD1-CB 4.12Å; L832-Q856 HydrophobicContact CD1-CG 4.17Å; L852-Q856 VanDerWaalsContact O-CB 3.29Å; L852-Q856 WeakPolarHBondContact O-CB 3.49Å; L852-Q856 PolarHBondContact O-N 2.7Å; Q853-Q856 WeakPolarHBondContact O-CB 3.38Å; Q853-Q856 PolarHBondContact O-N 2.88Å; Q856-Q858 PolarHBondContact O-N 2.78Å; Q856-A859 PolarHBondContact O-N 2.76Å; Q856-A860 WeakPolarHBondContact O-CB 3.42Å; Q856-A860 PolarHBondContact O-N 3.03Å; Q856-L889 WeakPolarHBondContact CG-O 3.4Å; Q856-L889 PolarHBondContact NE2-O 3.1Å; Q856-C890 PolarHBondContact NE2-O 3.35Å; Q856-Y891 VanDerWaalsContact NE2-C 3.25Å; Q856-G892 VanDerWaalsContact NE2-N 3.11Å |
| 857 | Q | 81.4 | Confident | 84 | Confident | 54 Ų | 54 | 21.9 Ų | 21.9 | 25% | 0.252 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -70.4 | -30.1 | 179.3 | -95.8 | 57.7 | 12.6 | 0 | 0 | 112.8 | A115 Q853 L855 T861 C890 | A115-Q857 HydrophobicContact CB-CB 4.19Å; A115-Q857 HydrophobicContact CB-CG 4.09Å; Q853-Q857 PolarHBondContact O-N 2.95Å; Q853-Q857 VanDerWaalsContact O-N 3.12Å; Q853-Q857 PolarHBondContact O-OE1 2.92Å; L855-Q857 VanDerWaalsContact C-N 3.34Å; L855-Q857 PolarHBondContact O-N 3.47Å; Q857-T861 WeakPolarHBondContact O-CB 3.38Å; Q857-T861 PolarHBondContact O-N 2.98Å; Q857-T861 VanDerWaalsContact O-N 3.09Å; Q857-T861 PolarHBondContact O-OG1 3.45Å; Q857-C890 PolarHBondContact NE2-O 2.86Å |
| 858 | Q | 82.3 | Confident | 84.2 | Confident | 64 Ų | 64 | 22.9 Ų | 22.9 | 30% | 0.299 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -73 | -41.7 | 173.2 | -74.4 | 171.9 | 96 | 0 | 0 | 111.9 | L756 S854 L855 Q856 T861 Y862 | L756-Q858 HydrophobicContact CD1-CB 3.79Å; L756-Q858 HydrophobicContact CD1-CG 4.39Å; S854-Q858 WeakPolarHBondContact O-CG 3.3Å; S854-Q858 PolarHBondContact O-N 2.97Å; S854-Q858 PolarHBondContact O-NE2 3Å; S854-Q858 PolarHBondContact OG-NE2 2.73Å; L855-Q858 PolarHBondContact O-N 2.84Å; L855-Q858 VanDerWaalsContact O-N 3.13Å; Q856-Q858 PolarHBondContact O-N 2.78Å; Q858-T861 PolarHBondContact O-N 2.91Å; Q858-Y862 WeakPolarHBondContact O-CB 3.4Å; Q858-Y862 PolarHBondContact O-N 3.32Å |
| 859 | A | 87.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | P753 L829 L855 Q856 T861 Y862 A863 L889 | P753-A859 HydrophobicContact CG-CB 4.42Å; L829-A859 HydrophobicContact CD1-CB 3.6Å; L829-A859 HydrophobicContact CD2-CB 3.8Å; L829-A859 HydrophobicContact CG-CB 4.37Å; L855-A859 WeakPolarHBondContact O-CB 3.38Å; L855-A859 PolarHBondContact O-N 3.35Å; Q856-A859 PolarHBondContact O-N 2.76Å; A859-T861 PolarHBondContact O-N 3.37Å; A859-Y862 PolarHBondContact O-N 2.88Å; A859-A863 WeakPolarHBondContact O-CB 2.84Å; A859-A863 PolarHBondContact O-N 3.13Å; A859-L889 HydrophobicContact CB-CD1 4.32Å; A859-L889 HydrophobicContact CB-CD2 4.27Å |
| 860 | A | 85 | Confident | 85 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q856 A863 G864 Q886 L889 C890 | Q856-A860 WeakPolarHBondContact O-CB 3.42Å; Q856-A860 PolarHBondContact O-N 3.03Å; A860-A863 PolarHBondContact O-N 2.82Å; A860-G864 PolarHBondContact O-N 2.91Å; A860-Q886 WeakPolarHBondContact CB-O 3.26Å; A860-L889 HydrophobicContact CB-CB 3.94Å; A860-C890 HydrophobicContact CB-CB 3.7Å |
| 861 | T | 79.5 | Confident | 85.4 | Confident | 26 Ų | 26 | 22.3 Ų | 22.3 | 16% | 0.16 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | A115 Q857 Q858 A859 G864 M865 | A115-T861 WeakPolarHBondContact CA-OG1 3.48Å; Q857-T861 WeakPolarHBondContact O-CB 3.38Å; Q857-T861 PolarHBondContact O-N 2.98Å; Q857-T861 VanDerWaalsContact O-N 3.09Å; Q857-T861 PolarHBondContact O-OG1 3.45Å; Q858-T861 PolarHBondContact O-N 2.91Å; A859-T861 PolarHBondContact O-N 3.37Å; T861-G864 PolarHBondContact O-N 3Å; T861-M865 WeakPolarHBondContact O-CG 3.3Å; T861-M865 PolarHBondContact O-N 3.32Å; T861-M865 VanDerWaalsContact O-N 3.11Å |
| 862 | Y | 86.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67 | -34.6 | 178.3 | -178.4 | -104.1 | 0 | 0 | 0 | 113.2 | L720 V728 L751 P753 V754 Y755 Q858 A859 G864 M865 V866 | L720-Y862 HydrophobicContact CD2-CD2 4.38Å; L720-Y862 HydrophobicContact CD2-CE2 3.97Å; V728-Y862 HydrophobicContact CG2-CE2 4.42Å; V728-Y862 WeakPolarHBondContact CG2-OH 3.24Å; L751-Y862 WeakPolarHBondContact O-CD1 3.42Å; P753-Y862 HydrophobicContact CB-CD1 4.14Å; P753-Y862 HydrophobicContact CB-CD2 4.14Å; P753-Y862 HydrophobicContact CB-CE1 4.48Å; P753-Y862 HydrophobicContact CB-CE2 4.49Å; P753-Y862 HydrophobicContact CB-CG 3.93Å; P753-Y862 HydrophobicContact CG-CD1 3.95Å; P753-Y862 HydrophobicContact CG-CG 3.84Å; V754-Y862 WeakPolarHBondContact CG1-OH 3Å; V754-Y862 HydrophobicContact CG2-CE2 4.32Å; Y755-Y862 AromaticContact CE1-CD2 3.79Å; Y755-Y862 HydrophobicContact CE1-CD2 3.79Å; Y755-Y862 HydrophobicContact CE1-CE2 4.1Å; Q858-Y862 WeakPolarHBondContact O-CB 3.4Å; Q858-Y862 PolarHBondContact O-N 3.32Å; A859-Y862 PolarHBondContact O-N 2.88Å; Y862-G864 VanDerWaalsContact C-N 3.29Å; Y862-G864 PolarHBondContact O-N 2.75Å; Y862-M865 HydrophobicContact CD2-SD 4.32Å; Y862-M865 WeakPolarHBondContact O-CA 3.43Å; Y862-M865 WeakPolarHBondContact O-CB 3.33Å; Y862-M865 PolarHBondContact O-N 2.81Å; Y862-M865 VanDerWaalsContact O-N 3.09Å; Y862-V866 HydrophobicContact CD1-CG2 4.14Å; Y862-V866 HydrophobicContact CE1-CG2 3.83Å; Y862-V866 HydrophobicContact CE2-CG2 4.43Å; Y862-V866 WeakPolarHBondContact O-CG2 3.36Å; Y862-V866 PolarHBondContact O-N 3.37Å |
| 863 | A | 89.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62 | -38.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L751 A859 A860 V866 T867 L889 | L751-A863 HydrophobicContact CB-CB 4.28Å; L751-A863 HydrophobicContact CD1-CB 4.22Å; L751-A863 HydrophobicContact CD2-CB 4Å; L751-A863 HydrophobicContact CG-CB 4.39Å; A859-A863 WeakPolarHBondContact O-CB 2.84Å; A859-A863 PolarHBondContact O-N 3.13Å; A860-A863 PolarHBondContact O-N 2.82Å; A863-V866 PolarHBondContact O-N 3.28Å; A863-T867 WeakPolarHBondContact O-CB 3.38Å; A863-T867 PolarHBondContact O-N 2.87Å; A863-T867 PolarHBondContact O-OG1 3.1Å; A863-L889 HydrophobicContact CB-CD1 3.82Å |
| 864 | G | 81.7 | Confident | 85.9 | Confident | 5 Ų | 5 | 27 Ų | 27 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A860 T861 Y862 T867 I868 | A860-G864 PolarHBondContact O-N 2.91Å; T861-G864 PolarHBondContact O-N 3Å; Y862-G864 VanDerWaalsContact C-N 3.29Å; Y862-G864 PolarHBondContact O-N 2.75Å; G864-T867 PolarHBondContact O-N 3.47Å; G864-I868 WeakPolarHBondContact O-CG1 3.36Å; G864-I868 PolarHBondContact O-N 2.87Å; G864-I868 VanDerWaalsContact O-N 3.09Å |
| 865 | M | 85.6 | Confident | 86.3 | Confident | 32 Ų | 32 | 25.4 Ų | 25.4 | 16% | 0.158 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 174.5 | -59.7 | 169.5 | 82.9 | 0 | 0 | 111.2 | S718 S719 L720 T861 Y862 I868 F869 | S718-M865 WeakPolarHBondContact CB-O 3.37Å; S718-M865 VanDerWaalsContact O-CB 3.27Å; S718-M865 WeakPolarHBondContact O-CB 3.24Å; S718-M865 WeakPolarHBondContact O-CE 3.47Å; S718-M865 VanDerWaalsContact O-CG 3.24Å; S718-M865 WeakPolarHBondContact O-CG 3.39Å; S719-M865 VanDerWaalsContact O-CE 3.28Å; S719-M865 WeakPolarHBondContact O-CE 3.43Å; L720-M865 HydrophobicContact CD2-CE 3.74Å; L720-M865 HydrophobicContact CG-CE 4.15Å; T861-M865 WeakPolarHBondContact O-CG 3.3Å; T861-M865 PolarHBondContact O-N 3.32Å; T861-M865 VanDerWaalsContact O-N 3.11Å; Y862-M865 HydrophobicContact CD2-SD 4.32Å; Y862-M865 WeakPolarHBondContact O-CA 3.43Å; Y862-M865 WeakPolarHBondContact O-CB 3.33Å; Y862-M865 PolarHBondContact O-N 2.81Å; Y862-M865 VanDerWaalsContact O-N 3.09Å; M865-I868 PolarHBondContact O-N 2.85Å; M865-F869 WeakPolarHBondContact O-CB 3.42Å; M865-F869 PolarHBondContact O-N 2.91Å |
| 866 | V | 89.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | V728 L732 L751 Y862 A863 F869 C870 I882 | V728-V866 HydrophobicContact CG1-CG2 4.44Å; L732-V866 HydrophobicContact CD1-CG1 4.09Å; L732-V866 HydrophobicContact CD2-CG1 4.23Å; L751-V866 HydrophobicContact CD2-CB 3.88Å; L751-V866 HydrophobicContact CD2-CG1 3.75Å; L751-V866 HydrophobicContact CD2-CG2 4.34Å; Y862-V866 HydrophobicContact CD1-CG2 4.14Å; Y862-V866 HydrophobicContact CE1-CG2 3.83Å; Y862-V866 HydrophobicContact CE2-CG2 4.43Å; Y862-V866 WeakPolarHBondContact O-CG2 3.36Å; Y862-V866 PolarHBondContact O-N 3.37Å; A863-V866 PolarHBondContact O-N 3.28Å; V866-F869 WeakPolarHBondContact O-CB 3.17Å; V866-F869 PolarHBondContact O-N 2.7Å; V866-C870 PolarHBondContact O-N 3.13Å; V866-C870 PolarHBondContact O-SG 2.72Å; V866-C870 VanDerWaalsContact O-SG 3.34Å; V866-I882 HydrophobicContact CG1-CD1 3.83Å; V866-I882 HydrophobicContact CG1-CG2 4.35Å |
| 867 | T | 88.5 | Confident | 86.6 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -50.1 | 174.5 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | A863 G864 F869 C870 N871 E879 I882 A883 | A863-T867 WeakPolarHBondContact O-CB 3.38Å; A863-T867 PolarHBondContact O-N 2.87Å; A863-T867 PolarHBondContact O-OG1 3.1Å; G864-T867 PolarHBondContact O-N 3.47Å; T867-F869 VanDerWaalsContact C-N 3.32Å; T867-F869 PolarHBondContact O-N 3.33Å; T867-C870 PolarHBondContact O-N 2.79Å; T867-N871 PolarHBondContact O-N 3.32Å; T867-E879 HydrophobicContact CG2-CG 3.73Å; T867-I882 WeakPolarHBondContact OG1-CG2 3.33Å; T867-A883 HydrophobicContact CG2-CB 3.96Å |
| 868 | I | 83 | Confident | 87 | Confident | 47 Ų | 47 | 35.3 Ų | 35.3 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -37.4 | 176.8 | -63 | 164.5 | 0 | 0 | 0 | 111.2 | G864 M865 N871 R872 | G864-I868 WeakPolarHBondContact O-CG1 3.36Å; G864-I868 PolarHBondContact O-N 2.87Å; G864-I868 VanDerWaalsContact O-N 3.09Å; M865-I868 PolarHBondContact O-N 2.85Å; I868-N871 PolarHBondContact O-N 3.34Å; I868-R872 HydrophobicContact CG2-CG 4.3Å; I868-R872 WeakPolarHBondContact O-CG 3.23Å; I868-R872 PolarHBondContact O-N 3.3Å |
| 869 | F | 90.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -45.8 | 175.9 | -171.3 | -98.1 | 0 | 0 | 0 | 111.8 | L711 A714 V715 L720 V728 Y729 L732 M865 V866 T867 L873 W875 | L711-F869 HydrophobicContact CD1-CE2 4.04Å; L711-F869 HydrophobicContact CD1-CZ 3.69Å; A714-F869 HydrophobicContact CB-CD2 3.72Å; A714-F869 HydrophobicContact CB-CE2 3.79Å; A714-F869 HydrophobicContact CB-CG 4.4Å; V715-F869 HydrophobicContact CG2-CE2 3.83Å; L720-F869 HydrophobicContact CD1-CD2 4.07Å; L720-F869 HydrophobicContact CD1-CG 4.49Å; V728-F869 HydrophobicContact CG1-CD1 3.71Å; V728-F869 HydrophobicContact CG1-CE1 3.78Å; V728-F869 HydrophobicContact CG1-CG 4.21Å; V728-F869 HydrophobicContact CG1-CZ 4.35Å; Y729-F869 HydrophobicContact CD2-CE1 4.37Å; Y729-F869 HydrophobicContact CD2-CZ 4.26Å; L732-F869 HydrophobicContact CD1-CD1 3.76Å; L732-F869 HydrophobicContact CD1-CE1 4.1Å; M865-F869 WeakPolarHBondContact O-CB 3.42Å; M865-F869 PolarHBondContact O-N 2.91Å; V866-F869 WeakPolarHBondContact O-CB 3.17Å; V866-F869 PolarHBondContact O-N 2.7Å; T867-F869 VanDerWaalsContact C-N 3.32Å; T867-F869 PolarHBondContact O-N 3.33Å; F869-L873 HydrophobicContact CD1-CD1 3.88Å; F869-L873 HydrophobicContact CE1-CD1 3.4Å; F869-L873 VanDerWaalsContact CE1-CD1 3.4Å; F869-L873 HydrophobicContact CZ-CD1 3.77Å; F869-L873 WeakPolarHBondContact O-CG 3.45Å; F869-L873 PolarHBondContact O-N 3Å; F869-W875 HydrophobicContact CE1-CZ3 4.47Å |
| 870 | C | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.7 | -66.5 | 0 | 0 | 0 | 0 | 112 | V866 T867 R872 L873 G874 W875 E879 | V866-C870 PolarHBondContact O-N 3.13Å; V866-C870 PolarHBondContact O-SG 2.72Å; V866-C870 VanDerWaalsContact O-SG 3.34Å; T867-C870 PolarHBondContact O-N 2.79Å; C870-R872 PolarHBondContact O-N 3.19Å; C870-L873 PolarHBondContact O-N 2.72Å; C870-G874 PolarHBondContact O-N 2.96Å; C870-W875 HydrophobicContact CB-CB 4.14Å; C870-W875 WeakPolarHBondContact O-CB 3.19Å; C870-W875 PolarHBondContact O-N 3.01Å; C870-E879 HydrophobicContact CB-CB 4Å |
| 871 | N | 87.7 | Confident | 87.6 | Confident | 60 Ų | 60 | 45 Ų | 45 | 32% | 0.321 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.1 | -51.5 | 177.4 | -177.1 | -97.6 | 0 | 0 | 0 | 111.9 | T867 I868 L873 G874 E879 | T867-N871 PolarHBondContact O-N 3.32Å; I868-N871 PolarHBondContact O-N 3.34Å; N871-L873 PolarHBondContact O-N 2.87Å; N871-G874 PolarHBondContact O-N 3.45Å; N871-E879 WeakPolarHBondContact CA-OE2 3.37Å; N871-E879 HydrophobicContact CB-CG 4.44Å; N871-E879 WeakPolarHBondContact CB-OE2 3.39Å; N871-E879 VanDerWaalsContact ND2-CD 3.35Å; N871-E879 PolarHBondContact ND2-OE1 3.22Å; N871-E879 VanDerWaalsContact ND2-OE1 3.12Å; N871-E879 PolarHBondContact ND2-OE2 3.03Å |
| 872 | R | 84.1 | Confident | 88.1 | Confident | 110 Ų | 110 | 43.7 Ų | 43.7 | 42% | 0.415 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68 | -16.2 | -179 | -67.7 | -55 | -165.1 | -139.6 | 12.9 | 114.5 | E145 A714 S717 I868 C870 | E145-R872 IonicContact OE2-CZ 3.13Å; E145-R872 IonicContact OE2-NE 2.72Å; E145-R872 IonicContact OE2-NH2 3.19Å; E145-R872 PolarHBondContact OE2-NH2 3.21Å; A714-R872 HydrophobicContact CB-CB 3.78Å; S717-R872 PolarHBondContact OG-NE 3.07Å; I868-R872 HydrophobicContact CG2-CG 4.3Å; I868-R872 WeakPolarHBondContact O-CG 3.23Å; I868-R872 PolarHBondContact O-N 3.3Å; C870-R872 PolarHBondContact O-N 3.19Å |
| 873 | L | 89.2 | Confident | 88 | Confident | 31 Ų | 31 | 45.4 Ų | 45.4 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 1.6 | 171 | -67.2 | 177.9 | 0 | 0 | 0 | 113.5 | A710 A714 Y729 F869 C870 N871 W875 | A710-L873 HydrophobicContact CB-CD2 4.28Å; A714-L873 HydrophobicContact CB-CD1 4.44Å; A714-L873 HydrophobicContact CB-CD2 3.86Å; A714-L873 HydrophobicContact CB-CG 3.76Å; Y729-L873 HydrophobicContact CD2-CD1 3.93Å; Y729-L873 HydrophobicContact CE2-CD1 4.13Å; F869-L873 HydrophobicContact CD1-CD1 3.88Å; F869-L873 HydrophobicContact CE1-CD1 3.4Å; F869-L873 VanDerWaalsContact CE1-CD1 3.4Å; F869-L873 HydrophobicContact CZ-CD1 3.77Å; F869-L873 WeakPolarHBondContact O-CG 3.45Å; F869-L873 PolarHBondContact O-N 3Å; C870-L873 PolarHBondContact O-N 2.72Å; N871-L873 PolarHBondContact O-N 2.87Å; L873-W875 VanDerWaalsContact C-N 3.26Å; L873-W875 HydrophobicContact CB-CD2 3.87Å; L873-W875 HydrophobicContact CB-CE3 4.45Å; L873-W875 HydrophobicContact CB-CG 3.95Å; L873-W875 HydrophobicContact CD1-CD2 4.09Å; L873-W875 HydrophobicContact CD1-CE3 3.97Å; L873-W875 HydrophobicContact CD1-CH2 3.74Å; L873-W875 HydrophobicContact CD1-CZ2 3.82Å; L873-W875 HydrophobicContact CD1-CZ3 3.78Å; L873-W875 PolarHBondContact O-N 3.02Å |
| 874 | G | 86.5 | Confident | 87.8 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 52% | 0.515 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 22.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C870 N871 N876 | C870-G874 PolarHBondContact O-N 2.96Å; N871-G874 PolarHBondContact O-N 3.45Å; G874-N876 WeakPolarHBondContact CA-OD1 3.38Å; G874-N876 PolarHBondContact O-N 3.45Å; G874-N876 VanDerWaalsContact O-N 3.12Å; G874-N876 PolarHBondContact O-OD1 2.82Å |
| 875 | W | 91.4 | Very high | 88.3 | Confident | 26 Ų | 26 | 48.9 Ų | 48.9 | 10% | 0.098 | 25% | 0.25 | C | C | . | . | trans | -88.8 | 49.8 | -177.3 | -64.7 | -2.3 | 0 | 0 | 0 | 111.5 | Y729 L732 D733 F869 C870 L873 H877 M878 E879 | Y729-W875 AromaticContact CD2-CH2 3.67Å; Y729-W875 HydrophobicContact CD2-CH2 3.67Å; Y729-W875 HydrophobicContact CD2-CZ2 4.18Å; Y729-W875 AromaticContact CE2-CH2 3.65Å; Y729-W875 HydrophobicContact CE2-CH2 3.65Å; Y729-W875 AromaticContact CE2-CZ2 3.69Å; Y729-W875 HydrophobicContact CE2-CZ2 3.69Å; L732-W875 HydrophobicContact CB-CE3 4.39Å; L732-W875 HydrophobicContact CB-CH2 4.48Å; L732-W875 HydrophobicContact CB-CZ3 3.63Å; L732-W875 HydrophobicContact CD1-CZ3 4.14Å; D733-W875 HydrophobicContact CB-CH2 4.25Å; F869-W875 HydrophobicContact CE1-CZ3 4.47Å; C870-W875 HydrophobicContact CB-CB 4.14Å; C870-W875 WeakPolarHBondContact O-CB 3.19Å; C870-W875 PolarHBondContact O-N 3.01Å; L873-W875 VanDerWaalsContact C-N 3.26Å; L873-W875 HydrophobicContact CB-CD2 3.87Å; L873-W875 HydrophobicContact CB-CE3 4.45Å; L873-W875 HydrophobicContact CB-CG 3.95Å; L873-W875 HydrophobicContact CD1-CD2 4.09Å; L873-W875 HydrophobicContact CD1-CE3 3.97Å; L873-W875 HydrophobicContact CD1-CH2 3.74Å; L873-W875 HydrophobicContact CD1-CZ2 3.82Å; L873-W875 HydrophobicContact CD1-CZ3 3.78Å; L873-W875 PolarHBondContact O-N 3.02Å; W875-H877 PolarHBondContact O-N 3.17Å; W875-M878 HydrophobicContact CB-CB 4.24Å; W875-M878 WeakPolarHBondContact O-CA 3.45Å; W875-M878 WeakPolarHBondContact O-CB 3.37Å; W875-M878 PolarHBondContact O-N 3.37Å; W875-E879 PolarHBondContact O-N 3.29Å | ||
| 876 | N | 88.4 | Confident | 88.3 | Confident | 88 Ų | 88 | 49.9 Ų | 49.9 | 47% | 0.471 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -54.6 | -32.1 | -167.7 | -54.8 | 8.2 | 0 | 0 | 0 | 113.6 | G874 R880 | G874-N876 WeakPolarHBondContact CA-OD1 3.38Å; G874-N876 PolarHBondContact O-N 3.45Å; G874-N876 VanDerWaalsContact O-N 3.12Å; G874-N876 PolarHBondContact O-OD1 2.82Å; N876-R880 WeakPolarHBondContact O-CB 3.44Å; N876-R880 WeakPolarHBondContact O-CG 3.45Å; N876-R880 PolarHBondContact O-N 3.16Å |
| 877 | H | 88.7 | Confident | 88 | Confident | 168 Ų | 168 | 51.8 Ų | 51.8 | 78% | 0.778 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68.5 | -40.6 | 174.1 | -61.5 | -61.7 | 0 | 0 | 0 | 112.9 | W875 V881 | W875-H877 PolarHBondContact O-N 3.17Å; H877-V881 WeakPolarHBondContact O-CG2 3.31Å; H877-V881 PolarHBondContact O-N 2.91Å |
| 878 | M | 90.5 | Very high | 88.2 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 176.9 | -170.8 | 63.9 | 79.4 | 0 | 0 | 110.3 | L732 A735 R736 I739 W875 V881 I882 | L732-M878 HydrophobicContact CD2-CG 4.36Å; A735-M878 HydrophobicContact CB-CE 4.32Å; R736-M878 HydrophobicContact CB-CE 4.47Å; R736-M878 HydrophobicContact CG-CE 3.59Å; I739-M878 HydrophobicContact CD1-CE 4.06Å; I739-M878 HydrophobicContact CD1-SD 4.06Å; W875-M878 HydrophobicContact CB-CB 4.24Å; W875-M878 WeakPolarHBondContact O-CA 3.45Å; W875-M878 WeakPolarHBondContact O-CB 3.37Å; W875-M878 PolarHBondContact O-N 3.37Å; M878-V881 PolarHBondContact O-N 3.43Å; M878-I882 HydrophobicContact CG-CD1 3.69Å; M878-I882 WeakPolarHBondContact O-CB 3.42Å; M878-I882 VanDerWaalsContact O-CG1 3.3Å; M878-I882 WeakPolarHBondContact O-CG1 3.43Å; M878-I882 PolarHBondContact O-N 2.92Å; M878-I882 HydrophobicContact SD-CD1 3.88Å; M878-I882 HydrophobicContact SD-CG1 4.48Å |
| 879 | E | 91.6 | Very high | 88.5 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.3 | -53.8 | 172 | -174.6 | -172.9 | 172.5 | 0 | 0 | 111.7 | T867 C870 N871 W875 V881 I882 A883 | T867-E879 HydrophobicContact CG2-CG 3.73Å; C870-E879 HydrophobicContact CB-CB 4Å; N871-E879 WeakPolarHBondContact CA-OE2 3.37Å; N871-E879 HydrophobicContact CB-CG 4.44Å; N871-E879 WeakPolarHBondContact CB-OE2 3.39Å; N871-E879 VanDerWaalsContact ND2-CD 3.35Å; N871-E879 PolarHBondContact ND2-OE1 3.22Å; N871-E879 VanDerWaalsContact ND2-OE1 3.12Å; N871-E879 PolarHBondContact ND2-OE2 3.03Å; W875-E879 PolarHBondContact O-N 3.29Å; E879-V881 VanDerWaalsContact C-N 3.26Å; E879-V881 PolarHBondContact O-N 2.78Å; E879-I882 PolarHBondContact O-N 3.16Å; E879-A883 WeakPolarHBondContact O-CB 3.39Å; E879-A883 PolarHBondContact O-N 3.19Å |
| 880 | R | 85.7 | Confident | 88.2 | Confident | 164 Ų | 164 | 49.8 Ų | 49.8 | 62% | 0.619 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.6 | -29.1 | -179 | -78.1 | -177.4 | 175 | -166.6 | 0.5 | 113.9 | N876 E1062 | N876-R880 WeakPolarHBondContact O-CB 3.44Å; N876-R880 WeakPolarHBondContact O-CG 3.45Å; N876-R880 PolarHBondContact O-N 3.16Å; R880-E1062 IonicContact NH2-OE2 2.64Å; R880-E1062 PolarHBondContact NH2-OE2 3.48Å |
| 881 | V | 89 | Confident | 87.9 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -80.2 | -26 | 175.6 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | L741 L747 H877 M878 E879 | L741-V881 HydrophobicContact CD2-CG1 4.28Å; L747-V881 HydrophobicContact CD1-CG1 3.58Å; L747-V881 HydrophobicContact CD2-CG1 3.58Å; L747-V881 HydrophobicContact CG-CG1 4.24Å; H877-V881 WeakPolarHBondContact O-CG2 3.31Å; H877-V881 PolarHBondContact O-N 2.91Å; M878-V881 PolarHBondContact O-N 3.43Å; E879-V881 VanDerWaalsContact C-N 3.26Å; E879-V881 PolarHBondContact O-N 2.78Å |
| 882 | I | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -92.8 | -35.1 | -176.9 | -72.5 | 174.1 | 0 | 0 | 0 | 113.1 | L732 L747 L751 V866 T867 M878 E879 N884 F885 | L732-I882 HydrophobicContact CD2-CD1 4.29Å; L747-I882 HydrophobicContact CD2-CG1 4.42Å; L751-I882 HydrophobicContact CD1-CG1 4.5Å; L751-I882 HydrophobicContact CD1-CG2 4.01Å; L751-I882 HydrophobicContact CD2-CB 4.48Å; L751-I882 HydrophobicContact CD2-CD1 4.19Å; L751-I882 HydrophobicContact CD2-CG1 4.28Å; L751-I882 HydrophobicContact CD2-CG2 3.45Å; L751-I882 VanDerWaalsContact CD2-CG2 3.45Å; L751-I882 HydrophobicContact CG-CG2 4.34Å; V866-I882 HydrophobicContact CG1-CD1 3.83Å; V866-I882 HydrophobicContact CG1-CG2 4.35Å; T867-I882 WeakPolarHBondContact OG1-CG2 3.33Å; M878-I882 HydrophobicContact CG-CD1 3.69Å; M878-I882 WeakPolarHBondContact O-CB 3.42Å; M878-I882 VanDerWaalsContact O-CG1 3.3Å; M878-I882 WeakPolarHBondContact O-CG1 3.43Å; M878-I882 PolarHBondContact O-N 2.92Å; M878-I882 HydrophobicContact SD-CD1 3.88Å; M878-I882 HydrophobicContact SD-CG1 4.48Å; E879-I882 PolarHBondContact O-N 3.16Å; I882-N884 VanDerWaalsContact C-N 3.34Å; I882-N884 PolarHBondContact O-N 3.08Å; I882-N884 VanDerWaalsContact O-N 3.12Å; I882-F885 VanDerWaalsContact O-CB 3.31Å; I882-F885 WeakPolarHBondContact O-CB 3.39Å; I882-F885 PolarHBondContact O-N 3.16Å |
| 883 | A | 84.2 | Confident | 88.1 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 31% | 0.306 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -45.6 | -165 | 0 | 0 | 0 | 0 | 0 | 114.6 | T867 E879 F885 Q886 | T867-A883 HydrophobicContact CG2-CB 3.96Å; E879-A883 WeakPolarHBondContact O-CB 3.39Å; E879-A883 PolarHBondContact O-N 3.19Å; A883-F885 PolarHBondContact O-N 3.22Å; A883-Q886 PolarHBondContact O-N 3.33Å |
| 884 | N | 86.1 | Confident | 88.1 | Confident | 72 Ų | 72 | 45.2 Ų | 45.2 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.8 | -179.6 | -69.4 | 14.5 | 0 | 0 | 0 | 113.3 | I882 Q886 S887 R888 D895 | I882-N884 VanDerWaalsContact C-N 3.34Å; I882-N884 PolarHBondContact O-N 3.08Å; I882-N884 VanDerWaalsContact O-N 3.12Å; N884-Q886 VanDerWaalsContact C-N 3.25Å; N884-Q886 PolarHBondContact O-N 3.33Å; N884-S887 PolarHBondContact O-N 2.8Å; N884-R888 WeakPolarHBondContact O-CG 3.43Å; N884-R888 PolarHBondContact O-N 3.3Å; N884-R888 VanDerWaalsContact O-N 3.11Å; N884-D895 VanDerWaalsContact CB-OD1 3.27Å; N884-D895 WeakPolarHBondContact CB-OD1 3.4Å; N884-D895 PolarHBondContact ND2-OD1 2.96Å |
| 885 | F | 90.8 | Very high | 88.2 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -22.3 | -179.7 | -77.3 | -95.1 | 0 | 0 | 0 | 113.5 | E744 L747 V748 L751 V833 I882 A883 S887 R888 L889 | E744-F885 HydrophobicContact CB-CE1 4.36Å; E744-F885 HydrophobicContact CB-CZ 4.08Å; E744-F885 HydrophobicContact CG-CZ 4.3Å; L747-F885 HydrophobicContact CB-CE1 4.49Å; L747-F885 HydrophobicContact CB-CE2 4.27Å; L747-F885 HydrophobicContact CB-CZ 4.09Å; L747-F885 HydrophobicContact CD1-CE2 3.73Å; L747-F885 HydrophobicContact CD1-CZ 3.87Å; V748-F885 HydrophobicContact CG2-CD1 4.3Å; V748-F885 HydrophobicContact CG2-CE1 3.92Å; L751-F885 HydrophobicContact CD1-CB 3.37Å; L751-F885 HydrophobicContact CD1-CD1 4.15Å; L751-F885 HydrophobicContact CD1-CD2 4.21Å; L751-F885 HydrophobicContact CD1-CG 3.66Å; V833-F885 HydrophobicContact CG1-CD1 4.44Å; V833-F885 HydrophobicContact CG1-CE1 4.09Å; I882-F885 VanDerWaalsContact O-CB 3.31Å; I882-F885 WeakPolarHBondContact O-CB 3.39Å; I882-F885 PolarHBondContact O-N 3.16Å; A883-F885 PolarHBondContact O-N 3.22Å; F885-S887 PolarHBondContact O-N 3.1Å; F885-R888 PolarHBondContact O-N 2.99Å; F885-L889 HydrophobicContact CB-CD1 4.24Å; F885-L889 WeakPolarHBondContact O-CB 3.36Å; F885-L889 WeakPolarHBondContact O-CD1 3.35Å; F885-L889 VanDerWaalsContact O-CG 3.25Å; F885-L889 WeakPolarHBondContact O-CG 3.08Å; F885-L889 PolarHBondContact O-N 2.96Å |
| 886 | Q | 87 | Confident | 88.1 | Confident | 53 Ų | 53 | 48.7 Ų | 48.7 | 25% | 0.248 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.6 | -51.3 | 171.4 | 172.9 | 172.6 | -31.5 | 0 | 0 | 110.6 | G116 A860 A883 N884 C890 | G116-Q886 PolarHBondContact O-NE2 3.2Å; A860-Q886 WeakPolarHBondContact CB-O 3.26Å; A883-Q886 PolarHBondContact O-N 3.33Å; N884-Q886 VanDerWaalsContact C-N 3.25Å; N884-Q886 PolarHBondContact O-N 3.33Å; Q886-C890 VanDerWaalsContact O-CB 3.27Å; Q886-C890 WeakPolarHBondContact O-CB 3.49Å; Q886-C890 PolarHBondContact O-N 2.84Å; Q886-C890 VanDerWaalsContact O-N 3.07Å |
| 887 | S | 84 | Confident | 88.2 | Confident | 41 Ų | 41 | 44.5 Ų | 44.5 | 29% | 0.287 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.4 | -47 | 179 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | N884 F885 L889 C890 Y891 | N884-S887 PolarHBondContact O-N 2.8Å; F885-S887 PolarHBondContact O-N 3.1Å; S887-L889 PolarHBondContact O-N 3.38Å; S887-C890 PolarHBondContact O-N 3.16Å; S887-C890 VanDerWaalsContact O-N 3.15Å; S887-Y891 WeakPolarHBondContact O-CD2 3.12Å; S887-Y891 PolarHBondContact O-N 3.42Å; S887-Y891 VanDerWaalsContact O-N 3.12Å |
| 888 | R | 90.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 38 Ų | 38 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | -178.3 | -68.2 | 179.1 | 65.3 | -173.6 | -4.3 | 113.3 | E744 V833 N884 F885 G892 V893 V898 | E744-R888 IonicContact OE1-CZ 2.69Å; E744-R888 IonicContact OE1-NH1 2.93Å; E744-R888 PolarHBondContact OE1-NH1 3.35Å; E744-R888 IonicContact OE1-NH2 2.79Å; E744-R888 PolarHBondContact OE1-NH2 3.36Å; E744-R888 IonicContact OE2-CZ 3.6Å; E744-R888 IonicContact OE2-NH1 3.2Å; E744-R888 IonicContact OE2-NH2 3.59Å; E744-R888 PolarHBondContact OE2-NH2 2.7Å; V833-R888 HydrophobicContact CG1-CB 4.48Å; N884-R888 WeakPolarHBondContact O-CG 3.43Å; N884-R888 PolarHBondContact O-N 3.3Å; N884-R888 VanDerWaalsContact O-N 3.11Å; F885-R888 PolarHBondContact O-N 2.99Å; R888-G892 VanDerWaalsContact O-CA 3.3Å; R888-G892 WeakPolarHBondContact O-CA 3.43Å; R888-G892 PolarHBondContact O-N 3.36Å; R888-V893 VanDerWaalsContact CB-O 3.25Å; R888-V893 WeakPolarHBondContact CB-O 3.44Å; R888-V893 WeakPolarHBondContact CG-O 3.36Å; R888-V893 PolarHBondContact NE-O 3.19Å; R888-V893 VanDerWaalsContact NE-O 3.07Å; R888-V893 PolarHBondContact O-N 3.27Å; R888-V893 VanDerWaalsContact O-N 3.1Å; R888-V898 HydrophobicContact CG-CG2 3.57Å |
| 889 | L | 89.8 | Confident | 87.9 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -49.4 | 171.5 | -72.4 | 161.7 | 0 | 0 | 0 | 110.1 | L751 L829 V833 Q856 A859 A860 A863 F885 S887 Y891 G892 | L751-L889 HydrophobicContact CB-CD1 4.22Å; L829-L889 HydrophobicContact CB-CD2 4.25Å; L829-L889 HydrophobicContact CD2-CD2 4.05Å; V833-L889 HydrophobicContact CG2-CD2 3.54Å; V833-L889 HydrophobicContact CG2-CG 4.05Å; Q856-L889 WeakPolarHBondContact CG-O 3.4Å; Q856-L889 PolarHBondContact NE2-O 3.1Å; A859-L889 HydrophobicContact CB-CD1 4.32Å; A859-L889 HydrophobicContact CB-CD2 4.27Å; A860-L889 HydrophobicContact CB-CB 3.94Å; A863-L889 HydrophobicContact CB-CD1 3.82Å; F885-L889 HydrophobicContact CB-CD1 4.24Å; F885-L889 WeakPolarHBondContact O-CB 3.36Å; F885-L889 WeakPolarHBondContact O-CD1 3.35Å; F885-L889 VanDerWaalsContact O-CG 3.25Å; F885-L889 WeakPolarHBondContact O-CG 3.08Å; F885-L889 PolarHBondContact O-N 2.96Å; S887-L889 PolarHBondContact O-N 3.38Å; L889-Y891 PolarHBondContact O-N 3.06Å; L889-G892 PolarHBondContact O-N 3.38Å |
| 890 | C | 85.4 | Confident | 87.9 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.9 | -34.3 | -175.2 | -161.8 | 0 | 0 | 0 | 0 | 113.3 | Q856 Q857 A860 Q886 S887 | Q856-C890 PolarHBondContact NE2-O 3.35Å; Q857-C890 PolarHBondContact NE2-O 2.86Å; A860-C890 HydrophobicContact CB-CB 3.7Å; Q886-C890 VanDerWaalsContact O-CB 3.27Å; Q886-C890 WeakPolarHBondContact O-CB 3.49Å; Q886-C890 PolarHBondContact O-N 2.84Å; Q886-C890 VanDerWaalsContact O-N 3.07Å; S887-C890 PolarHBondContact O-N 3.16Å; S887-C890 VanDerWaalsContact O-N 3.15Å |
| 891 | Y | 83.7 | Confident | 87.9 | Confident | 78 Ų | 78 | 28.7 Ų | 28.7 | 31% | 0.306 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -111 | -15.3 | -175.6 | -52.8 | -57.7 | 0 | 0 | 0 | 114.8 | Q856 S887 L889 I901 L904 | Q856-Y891 VanDerWaalsContact NE2-C 3.25Å; S887-Y891 WeakPolarHBondContact O-CD2 3.12Å; S887-Y891 PolarHBondContact O-N 3.42Å; S887-Y891 VanDerWaalsContact O-N 3.12Å; L889-Y891 PolarHBondContact O-N 3.06Å; Y891-I901 HydrophobicContact CD1-CG2 3.86Å; Y891-I901 HydrophobicContact CD2-CB 4.43Å; Y891-I901 HydrophobicContact CD2-CG2 3.52Å; Y891-I901 HydrophobicContact CE1-CG2 4.12Å; Y891-I901 HydrophobicContact CE2-CG2 3.8Å; Y891-I901 HydrophobicContact CG-CG2 3.54Å; Y891-L904 HydrophobicContact CD1-CD1 3.79Å; Y891-L904 HydrophobicContact CE1-CD1 3.31Å |
| 892 | G | 87.3 | Confident | 87.7 | Confident | 8 Ų | 8 | 30 Ų | 30 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 54.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L832 Q856 R888 L889 | L832-G892 CarbonylContact O-C 3.48Å; L832-G892 WeakPolarHBondContact O-CA 3.48Å; Q856-G892 VanDerWaalsContact NE2-N 3.11Å; R888-G892 VanDerWaalsContact O-CA 3.3Å; R888-G892 WeakPolarHBondContact O-CA 3.43Å; R888-G892 PolarHBondContact O-N 3.36Å; L889-G892 PolarHBondContact O-N 3.38Å |
| 893 | V | 89.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -141.8 | 159.9 | -174.1 | -65 | 0 | 0 | 0 | 0 | 115.3 | V833 E835 R888 L897 I901 A909 | V833-V893 CarbonylContact O-C 3.54Å; V833-V893 VanDerWaalsContact O-C 3.27Å; E835-V893 HydrophobicContact CG-CB 4.38Å; E835-V893 HydrophobicContact CG-CG1 4.32Å; R888-V893 VanDerWaalsContact CB-O 3.25Å; R888-V893 WeakPolarHBondContact CB-O 3.44Å; R888-V893 WeakPolarHBondContact CG-O 3.36Å; R888-V893 PolarHBondContact NE-O 3.19Å; R888-V893 VanDerWaalsContact NE-O 3.07Å; R888-V893 PolarHBondContact O-N 3.27Å; R888-V893 VanDerWaalsContact O-N 3.1Å; V893-L897 HydrophobicContact CB-CB 4.1Å; V893-L897 HydrophobicContact CB-CD1 4.14Å; V893-L897 HydrophobicContact CG1-CB 4.39Å; V893-L897 HydrophobicContact CG1-CD1 3.93Å; V893-L897 HydrophobicContact CG2-CB 4.24Å; V893-I901 HydrophobicContact CB-CD1 4.32Å; V893-I901 HydrophobicContact CG1-CD1 3.61Å; V893-I901 HydrophobicContact CG2-CD1 3.88Å; V893-A909 HydrophobicContact CG1-CB 3.62Å | ||
| 894 | S | 90.3 | Very high | 87 | Confident | 20 Ų | 20 | 31.7 Ų | 31.7 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | trans | -62.3 | 161.6 | 162.4 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | V833 E835 E896 L897 R913 | V833-S894 PolarHBondContact O-N 2.91Å; E835-S894 WeakPolarHBondContact OE1-CB 3.48Å; E835-S894 PolarHBondContact OE1-N 2.71Å; E835-S894 PolarHBondContact OE1-OG 2.81Å; S894-E896 VanDerWaalsContact C-N 3.28Å; S894-E896 PolarHBondContact O-N 2.67Å; S894-E896 VanDerWaalsContact OG-CG 3.32Å; S894-E896 WeakPolarHBondContact OG-CG 3.22Å; S894-L897 PolarHBondContact O-N 2.91Å; S894-R913 PolarHBondContact OG-NH2 3.09Å | ||
| 895 | D | 88.4 | Confident | 86.3 | Confident | 63 Ų | 63 | 29.8 Ų | 29.8 | 34% | 0.337 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -59.2 | -37.6 | -177.3 | -159.8 | 61.5 | 0 | 0 | 0 | 113 | N884 L897 V898 | N884-D895 VanDerWaalsContact CB-OD1 3.27Å; N884-D895 WeakPolarHBondContact CB-OD1 3.4Å; N884-D895 PolarHBondContact ND2-OD1 2.96Å; D895-L897 PolarHBondContact O-N 3.17Å; D895-V898 WeakPolarHBondContact O-CB 3.25Å; D895-V898 WeakPolarHBondContact O-CG2 3.28Å; D895-V898 PolarHBondContact O-N 2.89Å |
| 896 | E | 88.6 | Confident | 85.9 | Confident | 85 Ų | 85 | 30.3 Ų | 30.3 | 40% | 0.397 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -67.8 | -14 | -177 | 59.1 | -178.8 | -146.6 | 0 | 0 | 115 | S894 R913 Y916 | S894-E896 VanDerWaalsContact C-N 3.28Å; S894-E896 PolarHBondContact O-N 2.67Å; S894-E896 VanDerWaalsContact OG-CG 3.32Å; S894-E896 WeakPolarHBondContact OG-CG 3.22Å; E896-R913 IonicContact OE1-CZ 3.88Å; E896-R913 IonicContact OE1-NH1 2.86Å; E896-R913 PolarHBondContact OE1-NH1 3.12Å; E896-R913 IonicContact OE1-NH2 2.67Å; E896-R913 PolarHBondContact OE1-NH2 3.44Å; E896-Y916 HydrophobicContact CB-CE2 3.72Å; E896-Y916 HydrophobicContact CG-CE2 4.19Å; E896-Y916 WeakPolarHBondContact O-CE2 3.26Å |
| 897 | L | 90.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -97.2 | -6.4 | 175.7 | -59.7 | -173.2 | 0 | 0 | 0 | 113.9 | E835 V893 S894 D895 D899 L900 I901 A912 R913 Y916 | E835-L897 WeakPolarHBondContact OE2-CD1 3.18Å; V893-L897 HydrophobicContact CB-CB 4.1Å; V893-L897 HydrophobicContact CB-CD1 4.14Å; V893-L897 HydrophobicContact CG1-CB 4.39Å; V893-L897 HydrophobicContact CG1-CD1 3.93Å; V893-L897 HydrophobicContact CG2-CB 4.24Å; S894-L897 PolarHBondContact O-N 2.91Å; D895-L897 PolarHBondContact O-N 3.17Å; L897-D899 VanDerWaalsContact C-N 3.34Å; L897-D899 PolarHBondContact O-N 2.79Å; L897-L900 HydrophobicContact CD2-CD1 4.13Å; L897-L900 PolarHBondContact O-N 3.4Å; L897-I901 HydrophobicContact CB-CD1 4.47Å; L897-I901 PolarHBondContact O-N 3.44Å; L897-A912 HydrophobicContact CB-CB 4.37Å; L897-A912 HydrophobicContact CD1-CB 4.31Å; L897-A912 HydrophobicContact CD2-CB 4.3Å; L897-R913 HydrophobicContact CD1-CB 4Å; L897-Y916 HydrophobicContact CD2-CD2 3.79Å; L897-Y916 HydrophobicContact CD2-CG 3.85Å |
| 898 | V | 86.9 | Confident | 85.7 | Confident | 32 Ų | 32 | 26.7 Ų | 26.7 | 19% | 0.194 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -37.3 | -169.9 | 172.8 | 0 | 0 | 0 | 0 | 112.8 | R888 D895 | R888-V898 HydrophobicContact CG-CG2 3.57Å; D895-V898 WeakPolarHBondContact O-CB 3.25Å; D895-V898 WeakPolarHBondContact O-CG2 3.28Å; D895-V898 PolarHBondContact O-N 2.89Å |
| 899 | D | 86.6 | Confident | 85.3 | Confident | 24 Ų | 24 | 27.8 Ų | 27.8 | 13% | 0.128 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -40.6 | 177.1 | -175.3 | 50.5 | 0 | 0 | 0 | 112.1 | L897 I901 R902 S922 V923 T1058 | L897-D899 VanDerWaalsContact C-N 3.34Å; L897-D899 PolarHBondContact O-N 2.79Å; D899-I901 VanDerWaalsContact C-N 3.29Å; D899-I901 PolarHBondContact O-N 2.92Å; D899-R902 VanDerWaalsContact O-CB 3.24Å; D899-R902 WeakPolarHBondContact O-CB 3.29Å; D899-R902 VanDerWaalsContact O-CD 3.28Å; D899-R902 WeakPolarHBondContact O-CD 3.47Å; D899-R902 WeakPolarHBondContact O-CG 3.45Å; D899-R902 PolarHBondContact O-N 3.24Å; D899-R902 WeakPolarHBondContact OD1-CD 3.35Å; D899-R902 IonicContact OD1-CZ 3.86Å; D899-R902 IonicContact OD1-NE 2.76Å; D899-R902 IonicContact OD1-NH1 3.75Å; D899-R902 PolarHBondContact OD1-NH1 3.35Å; D899-S922 WeakPolarHBondContact OD2-CA 3.34Å; D899-S922 WeakPolarHBondContact OD2-CB 3.31Å; D899-V923 WeakPolarHBondContact O-CG2 3.44Å; D899-V923 WeakPolarHBondContact OD2-CG2 3.46Å; D899-V923 PolarHBondContact OD2-N 3.09Å; D899-T1058 HydrophobicContact CB-CG2 4.36Å; D899-T1058 WeakPolarHBondContact OD1-CG2 3.38Å |
| 900 | L | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -62.9 | -34.3 | -179.9 | -62.7 | -178 | 0 | 0 | 0 | 113.1 | L897 R902 L903 A912 Y916 Y920 L926 | L897-L900 HydrophobicContact CD2-CD1 4.13Å; L897-L900 PolarHBondContact O-N 3.4Å; L900-R902 PolarHBondContact O-N 3.13Å; L900-L903 WeakPolarHBondContact O-CB 3.41Å; L900-L903 PolarHBondContact O-N 2.97Å; L900-A912 HydrophobicContact CB-CB 3.93Å; L900-A912 HydrophobicContact CD1-CB 4.26Å; L900-A912 WeakPolarHBondContact CD1-O 3.44Å; L900-Y916 HydrophobicContact CD1-CD2 4.11Å; L900-Y920 WeakPolarHBondContact CD1-O 3.37Å; L900-L926 HydrophobicContact CD2-CD1 3.42Å; L900-L926 VanDerWaalsContact CD2-CD1 3.42Å |
| 901 | I | 87.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -75.7 | -8.1 | -177.3 | -67.7 | -178.2 | 0 | 0 | 0 | 112.8 | Y891 V893 L897 D899 L903 L904 A909 A912 | Y891-I901 HydrophobicContact CD1-CG2 3.86Å; Y891-I901 HydrophobicContact CD2-CB 4.43Å; Y891-I901 HydrophobicContact CD2-CG2 3.52Å; Y891-I901 HydrophobicContact CE1-CG2 4.12Å; Y891-I901 HydrophobicContact CE2-CG2 3.8Å; Y891-I901 HydrophobicContact CG-CG2 3.54Å; V893-I901 HydrophobicContact CB-CD1 4.32Å; V893-I901 HydrophobicContact CG1-CD1 3.61Å; V893-I901 HydrophobicContact CG2-CD1 3.88Å; L897-I901 HydrophobicContact CB-CD1 4.47Å; L897-I901 PolarHBondContact O-N 3.44Å; D899-I901 VanDerWaalsContact C-N 3.29Å; D899-I901 PolarHBondContact O-N 2.92Å; I901-L903 PolarHBondContact O-N 3.18Å; I901-L904 HydrophobicContact CG2-CD1 3.56Å; I901-L904 HydrophobicContact CG2-CG 3.91Å; I901-L904 WeakPolarHBondContact O-CG 3.41Å; I901-L904 PolarHBondContact O-N 2.8Å; I901-L904 VanDerWaalsContact O-N 3.12Å; I901-A909 HydrophobicContact CD1-CB 4.36Å; I901-A912 HydrophobicContact CD1-CB 4.3Å; I901-A912 HydrophobicContact CG1-CB 3.82Å |
| 902 | R | 83.5 | Confident | 85.1 | Confident | 88 Ų | 88 | 28.4 Ų | 28.4 | 33% | 0.332 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -60.3 | -15.9 | 167.5 | -57.7 | 168.4 | 70.1 | -158.1 | -1.2 | 112.6 | D899 L900 L987 D991 | D899-R902 VanDerWaalsContact O-CB 3.24Å; D899-R902 WeakPolarHBondContact O-CB 3.29Å; D899-R902 VanDerWaalsContact O-CD 3.28Å; D899-R902 WeakPolarHBondContact O-CD 3.47Å; D899-R902 WeakPolarHBondContact O-CG 3.45Å; D899-R902 PolarHBondContact O-N 3.24Å; D899-R902 WeakPolarHBondContact OD1-CD 3.35Å; D899-R902 IonicContact OD1-CZ 3.86Å; D899-R902 IonicContact OD1-NE 2.76Å; D899-R902 IonicContact OD1-NH1 3.75Å; D899-R902 PolarHBondContact OD1-NH1 3.35Å; L900-R902 PolarHBondContact O-N 3.13Å; R902-L987 HydrophobicContact CB-CD1 4.23Å; R902-D991 IonicContact CZ-OD1 3.27Å; R902-D991 IonicContact CZ-OD2 2.77Å; R902-D991 VanDerWaalsContact CZ-OD2 3.25Å; R902-D991 IonicContact NH1-OD2 3.19Å; R902-D991 PolarHBondContact NH1-OD2 3.03Å; R902-D991 IonicContact NH2-OD1 2.7Å; R902-D991 PolarHBondContact NH2-OD1 2.85Å; R902-D991 IonicContact NH2-OD2 2.75Å; R902-D991 PolarHBondContact NH2-OD2 3.07Å |
| 903 | L | 85.7 | Confident | 85.3 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -92.5 | 20.6 | 176.1 | -62.9 | 164.3 | 0 | 0 | 0 | 114 | L900 I901 L906 V907 V923 L926 I980 Q983 A984 L987 | L900-L903 WeakPolarHBondContact O-CB 3.41Å; L900-L903 PolarHBondContact O-N 2.97Å; I901-L903 PolarHBondContact O-N 3.18Å; L903-L906 WeakPolarHBondContact O-CB 3.31Å; L903-L906 PolarHBondContact O-N 3.36Å; L903-L906 VanDerWaalsContact O-N 3.09Å; L903-V907 HydrophobicContact CB-CB 3.93Å; L903-V907 HydrophobicContact CB-CG2 3.69Å; L903-V907 HydrophobicContact CD1-CG2 4.32Å; L903-V907 PolarHBondContact O-N 3.29Å; L903-V923 HydrophobicContact CD1-CG2 4.22Å; L903-V923 HydrophobicContact CG-CG2 4.45Å; L903-L926 HydrophobicContact CD1-CD1 4.49Å; L903-I980 HydrophobicContact CD1-CG2 4.47Å; L903-Q983 HydrophobicContact CD2-CB 3.95Å; L903-Q983 HydrophobicContact CD2-CG 3.99Å; L903-A984 HydrophobicContact CD1-CB 4.18Å; L903-A984 HydrophobicContact CD2-CB 4.18Å; L903-L987 HydrophobicContact CD2-CD1 3.65Å; L903-L987 HydrophobicContact CG-CD1 4.26Å |
| 904 | L | 74.1 | Confident | 85.2 | Confident | 72 Ų | 72 | 32.6 Ų | 32.6 | 38% | 0.377 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 148.2 | 166.1 | -82.8 | 167.6 | 0 | 0 | 0 | 111.5 | Y891 I901 L906 V907 N908 | Y891-L904 HydrophobicContact CD1-CD1 3.79Å; Y891-L904 HydrophobicContact CE1-CD1 3.31Å; I901-L904 HydrophobicContact CG2-CD1 3.56Å; I901-L904 HydrophobicContact CG2-CG 3.91Å; I901-L904 WeakPolarHBondContact O-CG 3.41Å; I901-L904 PolarHBondContact O-N 2.8Å; I901-L904 VanDerWaalsContact O-N 3.12Å; L904-L906 VanDerWaalsContact C-N 3.35Å; L904-V907 VanDerWaalsContact CD2-O 3.3Å; L904-V907 WeakPolarHBondContact CD2-O 3.14Å; L904-V907 WeakPolarHBondContact CG-O 3.33Å; L904-N908 HydrophobicContact CD2-CB 4.44Å |
| 905 | P | 71.8 | Confident | 85.2 | Confident | 31 Ų | 31 | 31.7 Ų | 31.7 | 20% | 0.201 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -82.1 | -4.4 | -0.6 | 34.2 | -36.8 | 0 | 0 | 0 | 114.1 | R911 L965 D966 | P905-R911 PolarHBondContact O-NH1 3.2Å; P905-L965 HydrophobicContact CG-CD2 4.2Å; P905-D966 WeakPolarHBondContact CD-OD2 3.31Å; P905-D966 WeakPolarHBondContact CG-OD2 3.03Å |
| 906 | L | 82.4 | Confident | 85.4 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.089 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -47.9 | -177 | -59.7 | 164.4 | 0 | 0 | 0 | 111.2 | L903 L904 R911 L965 I971 L979 I980 Q983 | L903-L906 WeakPolarHBondContact O-CB 3.31Å; L903-L906 PolarHBondContact O-N 3.36Å; L903-L906 VanDerWaalsContact O-N 3.09Å; L904-L906 VanDerWaalsContact C-N 3.35Å; L906-R911 WeakPolarHBondContact O-CD 3.47Å; L906-R911 PolarHBondContact O-NH1 3.29Å; L906-L965 HydrophobicContact CD2-CD2 3.64Å; L906-L965 HydrophobicContact CG-CD2 4.45Å; L906-I971 HydrophobicContact CD2-CD1 3.81Å; L906-L979 HydrophobicContact CD1-CB 4.18Å; L906-L979 HydrophobicContact CD2-CB 4.33Å; L906-I980 HydrophobicContact CB-CD1 4Å; L906-I980 HydrophobicContact CB-CG1 3.52Å; L906-I980 HydrophobicContact CD1-CG1 3.93Å; L906-I980 HydrophobicContact CG-CG1 4.21Å; L906-Q983 HydrophobicContact CD1-CB 4.33Å |
| 907 | V | 85.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -105.3 | 107.2 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | L903 L904 R911 A912 L915 I980 | L903-V907 HydrophobicContact CB-CB 3.93Å; L903-V907 HydrophobicContact CB-CG2 3.69Å; L903-V907 HydrophobicContact CD1-CG2 4.32Å; L903-V907 PolarHBondContact O-N 3.29Å; L904-V907 VanDerWaalsContact CD2-O 3.3Å; L904-V907 WeakPolarHBondContact CD2-O 3.14Å; L904-V907 WeakPolarHBondContact CG-O 3.33Å; V907-R911 HydrophobicContact CG1-CB 4.23Å; V907-A912 HydrophobicContact CG1-CB 3.8Å; V907-L915 HydrophobicContact CG1-CD1 4.08Å; V907-L915 HydrophobicContact CG2-CD1 4.06Å; V907-I980 HydrophobicContact CG2-CD1 3.99Å; V907-I980 HydrophobicContact CG2-CG1 4.07Å; V907-I980 HydrophobicContact CG2-CG2 4.2Å |
| 908 | N | 81.9 | Confident | 85.3 | Confident | 19 Ų | 19 | 34.5 Ų | 34.5 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | trans | -92.9 | -178.7 | 168.8 | 74 | -14 | 0 | 0 | 0 | 110.6 | L904 E910 R911 A912 | L904-N908 HydrophobicContact CD2-CB 4.44Å; N908-E910 PolarHBondContact O-N 2.94Å; N908-E910 PolarHBondContact OD1-N 3.49Å; N908-R911 PolarHBondContact O-N 3.5Å; N908-R911 VanDerWaalsContact OD1-CB 3.29Å; N908-R911 WeakPolarHBondContact OD1-CB 3.1Å; N908-R911 WeakPolarHBondContact OD1-CD 3.05Å; N908-R911 WeakPolarHBondContact OD1-CG 3.35Å; N908-R911 PolarHBondContact OD1-N 3.07Å; N908-A912 WeakPolarHBondContact O-CB 3.4Å; N908-A912 PolarHBondContact O-N 2.94Å | ||
| 909 | A | 82.4 | Confident | 85.4 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.5 | -47.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | V893 I901 R911 A912 R913 | V893-A909 HydrophobicContact CG1-CB 3.62Å; I901-A909 HydrophobicContact CD1-CB 4.36Å; A909-R911 PolarHBondContact O-N 2.88Å; A909-A912 PolarHBondContact O-N 2.83Å; A909-R913 WeakPolarHBondContact O-CB 3.35Å; A909-R913 PolarHBondContact O-N 2.85Å |
| 910 | E | 80.4 | Confident | 85.6 | Confident | 72 Ų | 72 | 36.1 Ų | 36.1 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 179.6 | -63.2 | 173.8 | 131.2 | 0 | 0 | 112.1 | N908 R913 A914 | N908-E910 PolarHBondContact O-N 2.94Å; N908-E910 PolarHBondContact OD1-N 3.49Å; E910-R913 PolarHBondContact O-N 3.02Å; E910-A914 WeakPolarHBondContact O-CB 3.09Å; E910-A914 PolarHBondContact O-N 3.12Å |
| 911 | R | 85.9 | Confident | 85.6 | Confident | 32 Ų | 32 | 38.7 Ų | 38.7 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.1 | -39.1 | 176.6 | -66.2 | 166.1 | -161.4 | 150.7 | 10 | 111.6 | P905 L906 V907 N908 A909 A914 L915 L938 | P905-R911 PolarHBondContact O-NH1 3.2Å; L906-R911 WeakPolarHBondContact O-CD 3.47Å; L906-R911 PolarHBondContact O-NH1 3.29Å; V907-R911 HydrophobicContact CG1-CB 4.23Å; N908-R911 PolarHBondContact O-N 3.5Å; N908-R911 VanDerWaalsContact OD1-CB 3.29Å; N908-R911 WeakPolarHBondContact OD1-CB 3.1Å; N908-R911 WeakPolarHBondContact OD1-CD 3.05Å; N908-R911 WeakPolarHBondContact OD1-CG 3.35Å; N908-R911 PolarHBondContact OD1-N 3.07Å; A909-R911 PolarHBondContact O-N 2.88Å; R911-A914 PolarHBondContact O-N 3.32Å; R911-L915 WeakPolarHBondContact O-CB 3.4Å; R911-L915 VanDerWaalsContact O-CG 3.22Å; R911-L915 WeakPolarHBondContact O-CG 3.33Å; R911-L915 PolarHBondContact O-N 3.44Å; R911-L938 HydrophobicContact CB-CD2 3.91Å; R911-L938 HydrophobicContact CG-CD2 3.72Å |
| 912 | A | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | L897 L900 I901 V907 N908 A909 A914 L915 Y916 | L897-A912 HydrophobicContact CB-CB 4.37Å; L897-A912 HydrophobicContact CD1-CB 4.31Å; L897-A912 HydrophobicContact CD2-CB 4.3Å; L900-A912 HydrophobicContact CB-CB 3.93Å; L900-A912 HydrophobicContact CD1-CB 4.26Å; L900-A912 WeakPolarHBondContact CD1-O 3.44Å; I901-A912 HydrophobicContact CD1-CB 4.3Å; I901-A912 HydrophobicContact CG1-CB 3.82Å; V907-A912 HydrophobicContact CG1-CB 3.8Å; N908-A912 WeakPolarHBondContact O-CB 3.4Å; N908-A912 PolarHBondContact O-N 2.94Å; A909-A912 PolarHBondContact O-N 2.83Å; A912-A914 PolarHBondContact O-N 3.23Å; A912-L915 PolarHBondContact O-N 3.14Å; A912-Y916 VanDerWaalsContact O-CB 3.31Å; A912-Y916 WeakPolarHBondContact O-CB 3.47Å; A912-Y916 PolarHBondContact O-N 2.79Å |
| 913 | R | 90 | Very high | 86 | Confident | 71 Ų | 71 | 35.3 Ų | 35.3 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.7 | 179.5 | 50.1 | 63.2 | -164.4 | 9.2 | 112.2 | E835 S894 E896 L897 A909 E910 A917 | E835-R913 IonicContact OE1-CZ 3.79Å; E835-R913 IonicContact OE1-NE 3.85Å; E835-R913 IonicContact OE1-NH2 2.95Å; E835-R913 PolarHBondContact OE1-NH2 3.2Å; E835-R913 IonicContact OE2-CZ 3.2Å; E835-R913 IonicContact OE2-NE 2.73Å; E835-R913 PolarHBondContact OE2-NE 3.47Å; E835-R913 IonicContact OE2-NH2 2.73Å; E835-R913 PolarHBondContact OE2-NH2 2.88Å; S894-R913 PolarHBondContact OG-NH2 3.09Å; E896-R913 IonicContact OE1-CZ 3.88Å; E896-R913 IonicContact OE1-NH1 2.86Å; E896-R913 PolarHBondContact OE1-NH1 3.12Å; E896-R913 IonicContact OE1-NH2 2.67Å; E896-R913 PolarHBondContact OE1-NH2 3.44Å; L897-R913 HydrophobicContact CD1-CB 4Å; A909-R913 WeakPolarHBondContact O-CB 3.35Å; A909-R913 PolarHBondContact O-N 2.85Å; E910-R913 PolarHBondContact O-N 3.02Å; R913-A917 VanDerWaalsContact O-CB 3.24Å; R913-A917 WeakPolarHBondContact O-CB 3.38Å; R913-A917 PolarHBondContact O-N 3.3Å |
| 914 | A | 87.8 | Confident | 85.9 | Confident | 25 Ų | 25 | 36 Ų | 36 | 21% | 0.207 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.6 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E910 R911 A912 A918 I937 A941 | E910-A914 WeakPolarHBondContact O-CB 3.09Å; E910-A914 PolarHBondContact O-N 3.12Å; R911-A914 PolarHBondContact O-N 3.32Å; A912-A914 PolarHBondContact O-N 3.23Å; A914-A918 WeakPolarHBondContact O-CB 3.5Å; A914-A918 PolarHBondContact O-N 2.73Å; A914-I937 HydrophobicContact CB-CG2 4.23Å; A914-A941 HydrophobicContact CB-CB 3.61Å |
| 915 | L | 91.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.1 | -45.6 | 175 | -72.6 | 168.3 | 0 | 0 | 0 | 111.5 | V907 R911 A912 A917 A918 G919 Y920 L926 I934 I937 | V907-L915 HydrophobicContact CG1-CD1 4.08Å; V907-L915 HydrophobicContact CG2-CD1 4.06Å; R911-L915 WeakPolarHBondContact O-CB 3.4Å; R911-L915 VanDerWaalsContact O-CG 3.22Å; R911-L915 WeakPolarHBondContact O-CG 3.33Å; R911-L915 PolarHBondContact O-N 3.44Å; A912-L915 PolarHBondContact O-N 3.14Å; L915-A917 PolarHBondContact O-N 3.22Å; L915-A918 CarbonylContact O-C 3.37Å; L915-A918 WeakPolarHBondContact O-CA 3.48Å; L915-A918 WeakPolarHBondContact O-CB 3.37Å; L915-A918 PolarHBondContact O-N 3.28Å; L915-G919 PolarHBondContact O-N 3.04Å; L915-Y920 HydrophobicContact CD2-CD2 4.29Å; L915-Y920 PolarHBondContact O-N 2.95Å; L915-L926 HydrophobicContact CD1-CD1 4.31Å; L915-L926 HydrophobicContact CD1-CD2 4.19Å; L915-L926 HydrophobicContact CD2-CD2 4.28Å; L915-I934 HydrophobicContact CD2-CD1 3.88Å; L915-I934 HydrophobicContact CD2-CG2 4.24Å; L915-I937 HydrophobicContact CD2-CB 4.43Å; L915-I937 HydrophobicContact CD2-CD1 4.43Å; L915-I937 HydrophobicContact CD2-CG2 4.02Å; L915-I937 HydrophobicContact CG-CG2 4.49Å |
| 916 | Y | 91.2 | Very high | 87.4 | Confident | 72 Ų | 72 | 31.2 Ų | 31.2 | 28% | 0.282 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.8 | -165.5 | -75.6 | 0 | 0 | 0 | 111.4 | E896 L897 L900 A912 A918 G919 | E896-Y916 HydrophobicContact CB-CE2 3.72Å; E896-Y916 HydrophobicContact CG-CE2 4.19Å; E896-Y916 WeakPolarHBondContact O-CE2 3.26Å; L897-Y916 HydrophobicContact CD2-CD2 3.79Å; L897-Y916 HydrophobicContact CD2-CG 3.85Å; L900-Y916 HydrophobicContact CD1-CD2 4.11Å; A912-Y916 VanDerWaalsContact O-CB 3.31Å; A912-Y916 WeakPolarHBondContact O-CB 3.47Å; A912-Y916 PolarHBondContact O-N 2.79Å; Y916-A918 PolarHBondContact O-N 2.69Å; Y916-G919 PolarHBondContact O-N 3.4Å |
| 917 | A | 88.8 | Confident | 87.7 | Confident | 84 Ų | 84 | 30.5 Ų | 30.5 | 69% | 0.694 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -66.1 | -16.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R913 L915 | R913-A917 VanDerWaalsContact O-CB 3.24Å; R913-A917 WeakPolarHBondContact O-CB 3.38Å; R913-A917 PolarHBondContact O-N 3.3Å; L915-A917 PolarHBondContact O-N 3.22Å |
| 918 | A | 88.5 | Confident | 87.7 | Confident | 51 Ų | 51 | 33 Ų | 33 | 42% | 0.421 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 2.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A914 L915 Y916 Y920 I937 | A914-A918 WeakPolarHBondContact O-CB 3.5Å; A914-A918 PolarHBondContact O-N 2.73Å; L915-A918 CarbonylContact O-C 3.37Å; L915-A918 WeakPolarHBondContact O-CA 3.48Å; L915-A918 WeakPolarHBondContact O-CB 3.37Å; L915-A918 PolarHBondContact O-N 3.28Å; Y916-A918 PolarHBondContact O-N 2.69Å; A918-Y920 HydrophobicContact CB-CD2 4.3Å; A918-I937 HydrophobicContact CB-CD1 3.6Å; A918-I937 HydrophobicContact CB-CG1 4.07Å; A918-I937 HydrophobicContact CB-CG2 4.28Å |
| 919 | G | 88.6 | Confident | 88.1 | Confident | 54 Ų | 54 | 32.7 Ų | 32.7 | 56% | 0.557 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -3.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L915 Y916 S921 | L915-G919 PolarHBondContact O-N 3.04Å; Y916-G919 PolarHBondContact O-N 3.4Å; G919-S921 PolarHBondContact O-N 3.15Å |
| 920 | Y | 91.9 | Very high | 88.4 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | trans | -88.3 | 82.4 | 177.7 | -61.4 | -68.6 | 0 | 0 | 0 | 110.6 | L900 L915 A918 S925 L926 A929 I934 I937 | L900-Y920 WeakPolarHBondContact CD1-O 3.37Å; L915-Y920 HydrophobicContact CD2-CD2 4.29Å; L915-Y920 PolarHBondContact O-N 2.95Å; A918-Y920 HydrophobicContact CB-CD2 4.3Å; Y920-S925 VanDerWaalsContact CA-OG 3.3Å; Y920-S925 WeakPolarHBondContact CA-OG 3.19Å; Y920-S925 WeakPolarHBondContact CD1-O 3.49Å; Y920-L926 HydrophobicContact CG-CG 4.4Å; Y920-A929 HydrophobicContact CD1-CB 4.09Å; Y920-A929 HydrophobicContact CE1-CB 3.44Å; Y920-A929 VanDerWaalsContact CE1-CB 3.44Å; Y920-I934 HydrophobicContact CD2-CD1 3.84Å; Y920-I934 HydrophobicContact CE1-CD1 4.41Å; Y920-I934 HydrophobicContact CE2-CD1 3.65Å; Y920-I934 HydrophobicContact CG-CD1 4.29Å; Y920-I937 HydrophobicContact CD2-CD1 3.98Å; Y920-I937 HydrophobicContact CE2-CD1 3.59Å | ||
| 921 | S | 89.8 | Confident | 88.8 | Confident | 55 Ų | 55 | 38.1 Ų | 38.1 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | trans | -88.6 | -5.8 | -172.7 | 61.9 | 0 | 0 | 0 | 0 | 115.5 | G919 S925 | G919-S921 PolarHBondContact O-N 3.15Å; S921-S925 PolarHBondContact N-OG 3.36Å | ||
| 922 | S | 89.8 | Confident | 88.8 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 13% | 0.133 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -150.8 | 162.8 | -178.9 | 68.1 | 0 | 0 | 0 | 0 | 113.3 | D899 S924 S925 L926 | D899-S922 WeakPolarHBondContact OD2-CA 3.34Å; D899-S922 WeakPolarHBondContact OD2-CB 3.31Å; S922-S924 PolarHBondContact O-N 3.11Å; S922-S925 PolarHBondContact N-OG 3.43Å; S922-S925 VanDerWaalsContact N-OG 3.12Å; S922-S925 PolarHBondContact O-N 3.02Å; S922-S925 VanDerWaalsContact O-N 3.08Å; S922-S925 PolarHBondContact O-OG 3.41Å; S922-S925 PolarHBondContact OG-N 3.43Å; S922-L926 PolarHBondContact O-N 2.82Å; S922-L926 VanDerWaalsContact O-N 3.13Å |
| 923 | V | 89.5 | Confident | 88.8 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -35.5 | 172.9 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | D899 L903 L926 A927 A984 L987 | D899-V923 WeakPolarHBondContact O-CG2 3.44Å; D899-V923 WeakPolarHBondContact OD2-CG2 3.46Å; D899-V923 PolarHBondContact OD2-N 3.09Å; L903-V923 HydrophobicContact CD1-CG2 4.22Å; L903-V923 HydrophobicContact CG-CG2 4.45Å; V923-L926 PolarHBondContact O-N 2.93Å; V923-A927 WeakPolarHBondContact O-CB 3.43Å; V923-A927 PolarHBondContact O-N 3.35Å; V923-A984 HydrophobicContact CG1-CB 3.94Å; V923-A984 WeakPolarHBondContact CG1-O 3.09Å; V923-L987 HydrophobicContact CG1-CB 4.22Å |
| 924 | S | 83 | Confident | 88.8 | Confident | 14 Ų | 14 | 42 Ų | 42 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 172.6 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | S922 L926 A927 S928 L1052 | S922-S924 PolarHBondContact O-N 3.11Å; S924-L926 VanDerWaalsContact C-N 3.28Å; S924-L926 PolarHBondContact O-N 2.83Å; S924-A927 PolarHBondContact O-N 3.36Å; S924-S928 PolarHBondContact O-N 3.14Å; S924-S928 PolarHBondContact O-OG 3.07Å; S924-L1052 PolarHBondContact OG-O 3.41Å |
| 925 | S | 89.5 | Confident | 88.7 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66 | -29 | 176.6 | 73.2 | 0 | 0 | 0 | 0 | 113.3 | Y920 S921 S922 S928 A929 | Y920-S925 VanDerWaalsContact CA-OG 3.3Å; Y920-S925 WeakPolarHBondContact CA-OG 3.19Å; Y920-S925 WeakPolarHBondContact CD1-O 3.49Å; S921-S925 PolarHBondContact N-OG 3.36Å; S922-S925 PolarHBondContact N-OG 3.43Å; S922-S925 VanDerWaalsContact N-OG 3.12Å; S922-S925 PolarHBondContact O-N 3.02Å; S922-S925 VanDerWaalsContact O-N 3.08Å; S922-S925 PolarHBondContact O-OG 3.41Å; S922-S925 PolarHBondContact OG-N 3.43Å; S925-S928 PolarHBondContact O-OG 3.39Å; S925-A929 PolarHBondContact O-N 3.48Å |
| 926 | L | 89.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -81.8 | -35.3 | 176.4 | -93.1 | 136 | 0 | 0 | 0 | 113.3 | L900 L903 L915 Y920 S922 V923 S924 S928 A929 I934 I980 A984 | L900-L926 HydrophobicContact CD2-CD1 3.42Å; L900-L926 VanDerWaalsContact CD2-CD1 3.42Å; L903-L926 HydrophobicContact CD1-CD1 4.49Å; L915-L926 HydrophobicContact CD1-CD1 4.31Å; L915-L926 HydrophobicContact CD1-CD2 4.19Å; L915-L926 HydrophobicContact CD2-CD2 4.28Å; Y920-L926 HydrophobicContact CG-CG 4.4Å; S922-L926 PolarHBondContact O-N 2.82Å; S922-L926 VanDerWaalsContact O-N 3.13Å; V923-L926 PolarHBondContact O-N 2.93Å; S924-L926 VanDerWaalsContact C-N 3.28Å; S924-L926 PolarHBondContact O-N 2.83Å; L926-S928 PolarHBondContact O-N 3.04Å; L926-A929 WeakPolarHBondContact O-CB 3.35Å; L926-A929 PolarHBondContact O-N 3.19Å; L926-A929 VanDerWaalsContact O-N 3.11Å; L926-I934 HydrophobicContact CD2-CD1 3.69Å; L926-I934 HydrophobicContact CD2-CG1 4.23Å; L926-I980 HydrophobicContact CD2-CG2 3.51Å; L926-A984 HydrophobicContact CB-CB 4.07Å |
| 927 | A | 88.8 | Confident | 88.2 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -26.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V923 S924 A984 K985 L988 Y1049 | V923-A927 WeakPolarHBondContact O-CB 3.43Å; V923-A927 PolarHBondContact O-N 3.35Å; S924-A927 PolarHBondContact O-N 3.36Å; A927-A984 HydrophobicContact CB-CB 4.13Å; A927-K985 HydrophobicContact CB-CG 3.82Å; A927-K985 WeakPolarHBondContact O-CE 3.36Å; A927-L988 HydrophobicContact CB-CD2 4.44Å; A927-Y1049 HydrophobicContact CB-CD1 4.15Å; A927-Y1049 HydrophobicContact CB-CE1 3.93Å |
| 928 | S | 84.9 | Confident | 87.9 | Confident | 51 Ų | 51 | 41.8 Ų | 41.8 | 36% | 0.357 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -3.3 | 175.8 | 48.8 | 0 | 0 | 0 | 0 | 114.3 | S924 S925 L926 | S924-S928 PolarHBondContact O-N 3.14Å; S924-S928 PolarHBondContact O-OG 3.07Å; S925-S928 PolarHBondContact O-OG 3.39Å; L926-S928 PolarHBondContact O-N 3.04Å |
| 929 | A | 89.3 | Confident | 87.3 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -76.7 | 160.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y920 S925 L926 I934 V981 | Y920-A929 HydrophobicContact CD1-CB 4.09Å; Y920-A929 HydrophobicContact CE1-CB 3.44Å; Y920-A929 VanDerWaalsContact CE1-CB 3.44Å; S925-A929 PolarHBondContact O-N 3.48Å; L926-A929 WeakPolarHBondContact O-CB 3.35Å; L926-A929 PolarHBondContact O-N 3.19Å; L926-A929 VanDerWaalsContact O-N 3.11Å; A929-I934 HydrophobicContact CB-CD1 3.74Å; A929-I934 HydrophobicContact CB-CG1 3.94Å; A929-V981 HydrophobicContact CB-CG2 4.35Å |
| 930 | R | 88.8 | Confident | 86.5 | Confident | 177 Ų | 177 | 51.9 Ų | 51.9 | 67% | 0.668 | 24% | 0.241 | S | C | * | . | trans | -84.1 | 124.8 | 172.8 | -70.6 | 178.5 | 176.1 | 137.6 | -2 | 110.7 | Q932 E933 I934 | R930-Q932 VanDerWaalsContact C-N 3.28Å; R930-Q932 PolarHBondContact O-N 2.68Å; R930-Q932 VanDerWaalsContact O-N 3.13Å; R930-E933 HydrophobicContact CB-CB 4.07Å; R930-E933 VanDerWaalsContact O-CB 3.28Å; R930-E933 WeakPolarHBondContact O-CB 3.27Å; R930-E933 PolarHBondContact O-N 2.98Å; R930-I934 PolarHBondContact O-N 2.87Å | ||
| 931 | P | 88.2 | Confident | 85.3 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 25% | 0.253 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -51.8 | -38.9 | -179.1 | -33.7 | 38.8 | 0 | 0 | 0 | 115.8 | E933 S935 P978 V981 | P931-E933 PolarHBondContact O-N 2.93Å; P931-S935 WeakPolarHBondContact O-CB 3.22Å; P931-S935 PolarHBondContact O-N 2.97Å; P931-S935 PolarHBondContact O-OG 3.4Å; P931-P978 HydrophobicContact CB-CB 4.25Å; P931-P978 HydrophobicContact CB-CG 3.97Å; P931-V981 HydrophobicContact CG-CB 4.4Å; P931-V981 HydrophobicContact CG-CG2 4.32Å |
| 932 | Q | 86.2 | Confident | 83.8 | Confident | 112 Ų | 112 | 51 Ų | 51 | 52% | 0.523 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -73.1 | -16.6 | -179.8 | -56.8 | 81.3 | 1.8 | 0 | 0 | 112.9 | R930 R936 | R930-Q932 VanDerWaalsContact C-N 3.28Å; R930-Q932 PolarHBondContact O-N 2.68Å; R930-Q932 VanDerWaalsContact O-N 3.13Å; Q932-R936 WeakPolarHBondContact O-CG 3.46Å |
| 933 | E | 89.4 | Confident | 82 | Confident | 73 Ų | 73 | 53.4 Ų | 53.4 | 34% | 0.341 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -83.8 | -48.9 | 177.2 | -167.1 | 145.3 | -140.7 | 0 | 0 | 110.1 | R930 P931 S935 R936 I937 | R930-E933 HydrophobicContact CB-CB 4.07Å; R930-E933 VanDerWaalsContact O-CB 3.28Å; R930-E933 WeakPolarHBondContact O-CB 3.27Å; R930-E933 PolarHBondContact O-N 2.98Å; P931-E933 PolarHBondContact O-N 2.93Å; E933-S935 VanDerWaalsContact C-N 3.29Å; E933-S935 PolarHBondContact O-N 3.25Å; E933-R936 PolarHBondContact O-N 3.31Å; E933-R936 VanDerWaalsContact O-N 3.1Å; E933-I937 WeakPolarHBondContact O-CG1 3.46Å; E933-I937 PolarHBondContact O-N 3.02Å |
| 934 | I | 90.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -52.8 | -46.8 | 169.9 | -56.6 | -52.1 | 0 | 0 | 0 | 110.9 | L915 Y920 L926 A929 R930 R936 I937 L938 I980 V981 | L915-I934 HydrophobicContact CD2-CD1 3.88Å; L915-I934 HydrophobicContact CD2-CG2 4.24Å; Y920-I934 HydrophobicContact CD2-CD1 3.84Å; Y920-I934 HydrophobicContact CE1-CD1 4.41Å; Y920-I934 HydrophobicContact CE2-CD1 3.65Å; Y920-I934 HydrophobicContact CG-CD1 4.29Å; L926-I934 HydrophobicContact CD2-CD1 3.69Å; L926-I934 HydrophobicContact CD2-CG1 4.23Å; A929-I934 HydrophobicContact CB-CD1 3.74Å; A929-I934 HydrophobicContact CB-CG1 3.94Å; R930-I934 PolarHBondContact O-N 2.87Å; I934-R936 VanDerWaalsContact C-N 3.3Å; I934-R936 PolarHBondContact O-N 3.32Å; I934-I937 PolarHBondContact O-N 3.06Å; I934-I937 VanDerWaalsContact O-N 3.08Å; I934-L938 HydrophobicContact CG2-CD1 3.97Å; I934-L938 HydrophobicContact CG2-CG 4.39Å; I934-L938 WeakPolarHBondContact O-CG 3.47Å; I934-L938 PolarHBondContact O-N 3.42Å; I934-I980 HydrophobicContact CG2-CB 4.4Å; I934-I980 HydrophobicContact CG2-CD1 4.36Å; I934-I980 HydrophobicContact CG2-CG2 4.17Å; I934-V981 HydrophobicContact CG1-CG2 3.9Å |
| 935 | S | 86.7 | Confident | 77 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.9 | -40.6 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | P931 E933 Q939 | P931-S935 WeakPolarHBondContact O-CB 3.22Å; P931-S935 PolarHBondContact O-N 2.97Å; P931-S935 PolarHBondContact O-OG 3.4Å; E933-S935 VanDerWaalsContact C-N 3.29Å; E933-S935 PolarHBondContact O-N 3.25Å; S935-Q939 WeakPolarHBondContact O-CG 3.42Å; S935-Q939 PolarHBondContact O-N 3.19Å |
| 936 | R | 84.5 | Confident | 74.1 | Confident | 144 Ų | 144 | 81 Ų | 81 | 54% | 0.543 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -74.2 | -29 | 178.3 | -68.5 | -178.8 | -144.4 | 126.7 | -0.5 | 113.2 | Q932 E933 I934 R940 | Q932-R936 WeakPolarHBondContact O-CG 3.46Å; E933-R936 PolarHBondContact O-N 3.31Å; E933-R936 VanDerWaalsContact O-N 3.1Å; I934-R936 VanDerWaalsContact C-N 3.3Å; I934-R936 PolarHBondContact O-N 3.32Å; R936-R940 WeakPolarHBondContact O-CG 3.32Å |
| 937 | I | 87.2 | Confident | 71.1 | Confident | 26 Ų | 26 | 90.8 Ų | 90.8 | 13% | 0.133 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.6 | -45 | 177.4 | -65.9 | 159 | 0 | 0 | 0 | 109.5 | A914 L915 A918 Y920 E933 I934 Q939 R940 A941 | A914-I937 HydrophobicContact CB-CG2 4.23Å; L915-I937 HydrophobicContact CD2-CB 4.43Å; L915-I937 HydrophobicContact CD2-CD1 4.43Å; L915-I937 HydrophobicContact CD2-CG2 4.02Å; L915-I937 HydrophobicContact CG-CG2 4.49Å; A918-I937 HydrophobicContact CB-CD1 3.6Å; A918-I937 HydrophobicContact CB-CG1 4.07Å; A918-I937 HydrophobicContact CB-CG2 4.28Å; Y920-I937 HydrophobicContact CD2-CD1 3.98Å; Y920-I937 HydrophobicContact CE2-CD1 3.59Å; E933-I937 WeakPolarHBondContact O-CG1 3.46Å; E933-I937 PolarHBondContact O-N 3.02Å; I934-I937 PolarHBondContact O-N 3.06Å; I934-I937 VanDerWaalsContact O-N 3.08Å; I937-Q939 PolarHBondContact O-N 3.31Å; I937-R940 WeakPolarHBondContact O-CB 3.28Å; I937-R940 PolarHBondContact O-N 2.87Å; I937-A941 PolarHBondContact O-N 3.27Å |
| 938 | L | 82.1 | Confident | 68.1 | Low | 3 Ų | 3 | 97.4 Ų | 97.4 | 2% | 0.016 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 177.8 | -65.7 | 169.2 | 0 | 0 | 0 | 112.4 | R911 I934 R940 A941 E973 A976 I980 | R911-L938 HydrophobicContact CB-CD2 3.91Å; R911-L938 HydrophobicContact CG-CD2 3.72Å; I934-L938 HydrophobicContact CG2-CD1 3.97Å; I934-L938 HydrophobicContact CG2-CG 4.39Å; I934-L938 WeakPolarHBondContact O-CG 3.47Å; I934-L938 PolarHBondContact O-N 3.42Å; L938-R940 PolarHBondContact O-N 2.75Å; L938-R940 VanDerWaalsContact O-N 3.13Å; L938-A941 WeakPolarHBondContact O-CB 3.26Å; L938-A941 PolarHBondContact O-N 2.7Å; L938-E973 HydrophobicContact CB-CB 3.89Å; L938-E973 HydrophobicContact CB-CG 4.09Å; L938-A976 HydrophobicContact CD1-CB 3.97Å; L938-I980 HydrophobicContact CD1-CD1 3.62Å; L938-I980 HydrophobicContact CD2-CD1 4.35Å |
| 939 | Q | 76.6 | Confident | 65.2 | Low | 100 Ų | 100 | 102.4 Ų | 102.4 | 47% | 0.467 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -19.9 | 174.9 | -73.5 | 179.7 | -14.4 | 0 | 0 | 114.2 | S935 I937 E973 | S935-Q939 WeakPolarHBondContact O-CG 3.42Å; S935-Q939 PolarHBondContact O-N 3.19Å; I937-Q939 PolarHBondContact O-N 3.31Å; Q939-E973 HydrophobicContact CG-CB 3.75Å; Q939-E973 HydrophobicContact CG-CG 4.35Å |
| 940 | R | 72 | Confident | 62.1 | Low | 217 Ų | 217 | 110.4 Ų | 110.4 | 82% | 0.819 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -11.2 | 175.8 | -68.8 | 174.3 | 173.4 | 180 | -2 | 113.7 | R936 I937 L938 I942 | R936-R940 WeakPolarHBondContact O-CG 3.32Å; I937-R940 WeakPolarHBondContact O-CB 3.28Å; I937-R940 PolarHBondContact O-N 2.87Å; L938-R940 PolarHBondContact O-N 2.75Å; L938-R940 VanDerWaalsContact O-N 3.13Å; R940-I942 VanDerWaalsContact C-N 3.31Å; R940-I942 PolarHBondContact O-N 2.8Å |
| 941 | A | 66.3 | Low | 59 | Low | 23 Ų | 23 | 111 Ų | 111 | 19% | 0.19 | 51% | 0.512 | C | S | . | . | trans | -84.5 | 0.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A914 I937 L938 | A914-A941 HydrophobicContact CB-CB 3.61Å; I937-A941 PolarHBondContact O-N 3.27Å; L938-A941 WeakPolarHBondContact O-CB 3.26Å; L938-A941 PolarHBondContact O-N 2.7Å | ||
| 942 | I | 58.4 | Low | 55.9 | Low | 51 Ų | 51 | 114.1 Ų | 114.1 | 26% | 0.262 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -78.1 | 128.2 | -173.8 | -51.1 | 176 | 0 | 0 | 0 | 110.4 | R414 R940 F944 | R414-I942 HydrophobicContact CG-CG2 4.19Å; R940-I942 VanDerWaalsContact C-N 3.31Å; R940-I942 PolarHBondContact O-N 2.8Å; I942-F944 PolarHBondContact O-N 2.92Å |
| 943 | P | 50.9 | Low | 52.9 | Low | 69 Ų | 69 | 113.8 Ų | 113.8 | 45% | 0.448 | 55% | 0.55 | S | S | . | * | trans | -69.4 | 101 | -178.6 | 26.8 | -34.5 | 0 | 0 | 0 | 112.3 | ||||
| 944 | F | 35.7 | Very low | 49.8 | Very low | 196 Ų | 196 | 116 Ų | 116 | 86% | 0.86 | 57% | 0.574 | S | S | * | * | trans | -98.1 | 96.6 | -176.9 | -129.3 | -82.2 | 0 | 0 | 0 | 112.3 | I942 R946 | I942-F944 PolarHBondContact O-N 2.92Å; F944-R946 PolarHBondContact O-N 3.49Å | ||
| 945 | E | 32.3 | Very low | 46.7 | Very low | 182 Ų | 182 | 122 Ų | 122 | 85% | 0.85 | 61% | 0.611 | S | S | * | * | trans | -70.5 | 91.2 | 170.5 | -85.8 | -149.1 | 141.5 | 0 | 0 | 111.8 | ||||
| 946 | R | 29.3 | Very low | 44.1 | Very low | 220 Ų | 220 | 130.7 Ų | 130.7 | 83% | 0.83 | 65% | 0.648 | S | S | * | * | 168.9 | 130.3 | 115.1 | -93.2 | 173.4 | 176.9 | -174 | -1.6 | 112.4 | F944 N948 | F944-R946 PolarHBondContact O-N 3.49Å; R946-N948 PolarHBondContact O-N 2.75Å | |||
| 947 | K | 24.8 | Very low | 41.7 | Very low | 205 Ų | 205 | 129.1 Ų | 129.1 | 89% | 0.891 | 67% | 0.666 | S | S | * | * | trans | -78.2 | 107.5 | 146.8 | -71.2 | 177.6 | 177.8 | 175.8 | 0 | 107.7 | ||||
| 948 | N | 25.5 | Very low | 39.2 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | trans | -172.8 | 137.9 | 144.5 | -98.9 | -8.7 | 0 | 0 | 0 | 112 | R946 | R946-N948 PolarHBondContact O-N 2.75Š| ||
| 949 | N | 24 | Very low | 37.4 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | trans | 69.2 | 153.2 | 169.8 | -63.2 | 4.5 | 0 | 0 | 0 | 118.6 | ||||
| 950 | H | 24.7 | Very low | 36 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | trans | -94.6 | 168.2 | 179.4 | -73.1 | -119.5 | 0 | 0 | 0 | 111.1 | ||||
| 951 | E | 23.4 | Very low | 35.2 | Very low | 189 Ų | 189 | 124.2 Ų | 124.2 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | trans | 75.2 | 139.9 | 166.4 | -58.2 | -178 | 172.8 | 0 | 0 | 117.6 | ||||
| 952 | A | 23.3 | Very low | 34.9 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 87% | 0.868 | 69% | 0.687 | S | S | * | * | trans | 56.7 | 131.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 953 | C | 23.3 | Very low | 35.5 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 71% | 0.709 | 68% | 0.676 | S | S | * | * | cis | -155.4 | 153.1 | 9.6 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | V955 | C953-V955 HydrophobicContact CB-CG2 4.44Å; C953-V955 PolarHBondContact O-N 3.48Å | ||
| 954 | S | 24 | Very low | 36.3 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | trans | -77 | 67.9 | 173.2 | 59.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 955 | V | 26.8 | Very low | 38 | Very low | 128 Ų | 128 | 113.1 Ų | 113.1 | 78% | 0.776 | 64% | 0.635 | S | S | * | * | trans | -67.3 | 132.2 | 169.1 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | C953 A957 | C953-V955 HydrophobicContact CB-CG2 4.44Å; C953-V955 PolarHBondContact O-N 3.48Å; V955-A957 PolarHBondContact O-N 3.43Å | ||
| 956 | K | 30.7 | Very low | 39.4 | Very low | 184 Ų | 184 | 107 Ų | 107 | 80% | 0.8 | 61% | 0.609 | S | S | * | * | trans | -56.7 | 131.3 | -179.6 | -64.6 | 175.2 | -174.3 | 175.1 | 0 | 109.9 | S958 | K956-S958 PolarHBondContact O-N 2.99Š| ||
| 957 | A | 34.4 | Very low | 41 | Very low | 111 Ų | 111 | 100.7 Ų | 100.7 | 92% | 0.917 | 59% | 0.591 | S | S | * | * | trans | -71.5 | 76.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V955 G959 | V955-A957 PolarHBondContact O-N 3.43Å; A957-G959 PolarHBondContact O-N 3.08Å | ||
| 958 | S | 35.7 | Very low | 42.5 | Very low | 106 Ų | 106 | 92.5 Ų | 92.5 | 74% | 0.741 | 57% | 0.566 | S | S | * | * | trans | -79.4 | 80.1 | -171.1 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | K956 G960 | K956-S958 PolarHBondContact O-N 2.99Å; S958-G960 VanDerWaalsContact C-N 3.25Å; S958-G960 PolarHBondContact O-N 3.39Å | ||
| 959 | G | 42.7 | Very low | 44.5 | Very low | 60 Ų | 60 | 93.4 Ų | 93.4 | 62% | 0.619 | 56% | 0.558 | S | S | * | * | trans | 51.4 | 27.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | A957 C961 | A957-G959 PolarHBondContact O-N 3.08Å; G959-C961 PolarHBondContact O-N 3.11Å | ||
| 960 | G | 48 | Very low | 46.7 | Very low | 32 Ų | 32 | 87.9 Ų | 87.9 | 33% | 0.33 | 53% | 0.53 | S | S | . | . | trans | -62.7 | 130.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S958 T962 N972 | S958-G960 VanDerWaalsContact C-N 3.25Å; S958-G960 PolarHBondContact O-N 3.39Å; G960-T962 WeakPolarHBondContact O-CG2 3.29Å; G960-N972 VanDerWaalsContact O-CB 3.25Å; G960-N972 WeakPolarHBondContact O-CB 3.49Å | ||
| 961 | C | 54.3 | Low | 49.3 | Very low | 46 Ų | 46 | 80 Ų | 80 | 31% | 0.311 | 49% | 0.494 | S | S | . | . | trans | -83.7 | 126.9 | 168.4 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | G959 V970 I971 | G959-C961 PolarHBondContact O-N 3.11Å; C961-V970 HydrophobicContact CB-CB 3.82Å; C961-V970 HydrophobicContact CB-CG1 3.65Å; C961-V970 WeakPolarHBondContact CB-O 3.4Å; C961-V970 PolarHBondContact SG-O 2.72Å; C961-V970 VanDerWaalsContact SG-O 3.37Å; C961-I971 CarbonylContact C-O 3.47Å | ||
| 962 | T | 61.6 | Low | 51.9 | Low | 13 Ų | 13 | 72.2 Ų | 72.2 | 8% | 0.08 | 46% | 0.459 | C | S | . | . | trans | -128.5 | -16.6 | -161.8 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | R414 G960 I971 E973 | R414-T962 VanDerWaalsContact CD-CB 3.49Å; G960-T962 WeakPolarHBondContact O-CG2 3.29Å; T962-I971 PolarHBondContact N-O 2.76Å; T962-E973 VanDerWaalsContact CB-OE1 3.29Å; T962-E973 WeakPolarHBondContact CB-OE1 3.43Å; T962-E973 WeakPolarHBondContact CG2-OE1 3.46Å; T962-E973 PolarHBondContact OG1-OE1 3.12Å | ||
| 963 | I | 70.7 | Confident | 54.4 | Low | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 111.1 | 177.4 | -46.4 | -172 | 0 | 0 | 0 | 108.6 | L965 V970 I971 A976 | I963-L965 HydrophobicContact CG2-CD2 4.28Å; I963-V970 WeakPolarHBondContact O-CA 3.07Å; I963-I971 HydrophobicContact CB-CG1 3.87Å; I963-I971 PolarHBondContact N-O 2.94Å; I963-I971 PolarHBondContact O-N 2.85Å; I963-A976 HydrophobicContact CD1-CB 3.53Å |
| 964 | L | 68.1 | Low | 57.2 | Low | 66 Ų | 66 | 68.5 Ų | 68.5 | 35% | 0.346 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 126 | 167.1 | -173.9 | 66.4 | 0 | 0 | 0 | 108.9 | V970 | L964-V970 HydrophobicContact CD1-CG2 3.95Å |
| 965 | L | 71.1 | Confident | 60.1 | Low | 22 Ų | 22 | 67 Ų | 67 | 12% | 0.115 | 39% | 0.393 | C | S | . | . | trans | -91.5 | 159.3 | 172 | -56.7 | -177.5 | 0 | 0 | 0 | 110.1 | P905 L906 I963 D967 G968 R969 I971 | P905-L965 HydrophobicContact CG-CD2 4.2Å; L906-L965 HydrophobicContact CD2-CD2 3.64Å; L906-L965 HydrophobicContact CG-CD2 4.45Å; I963-L965 HydrophobicContact CG2-CD2 4.28Å; L965-D967 PolarHBondContact O-N 3.46Å; L965-D967 VanDerWaalsContact O-N 3.13Å; L965-G968 PolarHBondContact O-N 3.4Å; L965-R969 HydrophobicContact CD1-CB 4.4Å; L965-R969 PolarHBondContact N-O 3.43Å; L965-I971 HydrophobicContact CD1-CD1 4.33Å; L965-I971 HydrophobicContact CD1-CG2 4.02Å; L965-I971 HydrophobicContact CD2-CD1 4.02Å; L965-I971 HydrophobicContact CD2-CG1 4.33Å; L965-I971 HydrophobicContact CG-CD1 4.46Å; L965-I971 HydrophobicContact CG-CG1 4.45Å | ||
| 966 | D | 61.8 | Low | 62.9 | Low | 54 Ų | 54 | 61 Ų | 61 | 29% | 0.289 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.3 | 179.1 | -75.8 | -82.2 | 0 | 0 | 0 | 113.7 | R93 I97 P905 G968 | R93-D966 IonicContact CZ-OD1 3.87Å; R93-D966 IonicContact NE-OD1 2.73Å; R93-D966 PolarHBondContact NE-OD1 3.23Å; R93-D966 IonicContact NH2-OD1 3.34Å; R93-D966 PolarHBondContact NH2-OD1 2.85Å; R93-D966 IonicContact NH2-OD2 3.36Å; I97-D966 HydrophobicContact CD1-CB 4.19Å; I97-D966 WeakPolarHBondContact CD1-O 3.5Å; I97-D966 HydrophobicContact CG1-CB 4.34Å; I97-D966 VanDerWaalsContact CG2-O 3.31Å; I97-D966 WeakPolarHBondContact CG2-O 3.34Å; P905-D966 WeakPolarHBondContact CD-OD2 3.31Å; P905-D966 WeakPolarHBondContact CG-OD2 3.03Å; D966-G968 PolarHBondContact O-N 3.24Å |
| 967 | D | 61.5 | Low | 65.7 | Low | 87 Ų | 87 | 52.2 Ų | 52.2 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 3 | 174.5 | 63.2 | 27.3 | 0 | 0 | 0 | 114.5 | L965 R969 | L965-D967 PolarHBondContact O-N 3.46Å; L965-D967 VanDerWaalsContact O-N 3.13Å; D967-R969 VanDerWaalsContact C-N 3.31Å; D967-R969 VanDerWaalsContact CG-NE 3.32Å; D967-R969 PolarHBondContact O-N 2.85Å; D967-R969 WeakPolarHBondContact OD1-CB 3.43Å; D967-R969 VanDerWaalsContact OD1-CG 3.25Å; D967-R969 WeakPolarHBondContact OD1-CG 3.24Å; D967-R969 PolarHBondContact OD1-N 2.86Å; D967-R969 IonicContact OD1-NE 3.73Å; D967-R969 PolarHBondContact OD1-NE 3.39Å; D967-R969 IonicContact OD2-CZ 3.21Å; D967-R969 IonicContact OD2-NE 2.75Å; D967-R969 PolarHBondContact OD2-NE 2.75Å; D967-R969 IonicContact OD2-NH2 3.47Å; D967-R969 PolarHBondContact OD2-NH2 2.81Å |
| 968 | G | 57.1 | Low | 68.3 | Low | 34 Ų | 34 | 49.6 Ų | 49.6 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 80.4 | 2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L965 D966 | L965-G968 PolarHBondContact O-N 3.4Å; D966-G968 PolarHBondContact O-N 3.24Å |
| 969 | R | 68.4 | Low | 70.9 | Confident | 160 Ų | 160 | 47.7 Ų | 47.7 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | trans | -70.5 | 148.8 | 167.3 | -66.2 | -177.8 | -69.9 | 170.4 | -5.2 | 110.1 | L965 D967 | L965-R969 HydrophobicContact CD1-CB 4.4Å; L965-R969 PolarHBondContact N-O 3.43Å; D967-R969 VanDerWaalsContact C-N 3.31Å; D967-R969 VanDerWaalsContact CG-NE 3.32Å; D967-R969 PolarHBondContact O-N 2.85Å; D967-R969 WeakPolarHBondContact OD1-CB 3.43Å; D967-R969 VanDerWaalsContact OD1-CG 3.25Å; D967-R969 WeakPolarHBondContact OD1-CG 3.24Å; D967-R969 PolarHBondContact OD1-N 2.86Å; D967-R969 IonicContact OD1-NE 3.73Å; D967-R969 PolarHBondContact OD1-NE 3.39Å; D967-R969 IonicContact OD2-CZ 3.21Å; D967-R969 IonicContact OD2-NE 2.75Å; D967-R969 PolarHBondContact OD2-NE 2.75Å; D967-R969 IonicContact OD2-NH2 3.47Å; D967-R969 PolarHBondContact OD2-NH2 2.81Å | ||
| 970 | V | 68.3 | Low | 73.2 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 24% | 0.242 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.8 | 174.6 | -156.2 | 0 | 0 | 0 | 0 | 108.4 | C961 I963 L964 | C961-V970 HydrophobicContact CB-CB 3.82Å; C961-V970 HydrophobicContact CB-CG1 3.65Å; C961-V970 WeakPolarHBondContact CB-O 3.4Å; C961-V970 PolarHBondContact SG-O 2.72Å; C961-V970 VanDerWaalsContact SG-O 3.37Å; I963-V970 WeakPolarHBondContact O-CA 3.07Å; L964-V970 HydrophobicContact CD1-CG2 3.95Å |
| 971 | I | 79.9 | Confident | 75.3 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 8% | 0.077 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 158.3 | -179.6 | 65.5 | 170.5 | 0 | 0 | 0 | 111.1 | L906 C961 T962 I963 L965 E975 A976 L979 | L906-I971 HydrophobicContact CD2-CD1 3.81Å; C961-I971 CarbonylContact C-O 3.47Å; T962-I971 PolarHBondContact N-O 2.76Å; I963-I971 HydrophobicContact CB-CG1 3.87Å; I963-I971 PolarHBondContact N-O 2.94Å; I963-I971 PolarHBondContact O-N 2.85Å; L965-I971 HydrophobicContact CD1-CD1 4.33Å; L965-I971 HydrophobicContact CD1-CG2 4.02Å; L965-I971 HydrophobicContact CD2-CD1 4.02Å; L965-I971 HydrophobicContact CD2-CG1 4.33Å; L965-I971 HydrophobicContact CG-CD1 4.46Å; L965-I971 HydrophobicContact CG-CG1 4.45Å; I971-E975 WeakPolarHBondContact CA-OE2 3.16Å; I971-E975 HydrophobicContact CB-CB 4.09Å; I971-E975 WeakPolarHBondContact CB-OE2 3.25Å; I971-A976 HydrophobicContact CD1-CB 3.94Å; I971-L979 HydrophobicContact CD1-CD1 3.65Å |
| 972 | N | 78.4 | Confident | 77 | Confident | 26 Ų | 26 | 47.3 Ų | 47.3 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | trans | -90.8 | 169.2 | 173.1 | 61.3 | 61.4 | 0 | 0 | 0 | 112.6 | G960 H974 E975 A976 | G960-N972 VanDerWaalsContact O-CB 3.25Å; G960-N972 WeakPolarHBondContact O-CB 3.49Å; N972-H974 PolarHBondContact O-N 3.2Å; N972-H974 VanDerWaalsContact O-N 3.13Å; N972-H974 WeakPolarHBondContact OD1-CA 3.47Å; N972-H974 WeakPolarHBondContact OD1-CB 3.48Å; N972-H974 PolarHBondContact OD1-N 3.13Å; N972-E975 VanDerWaalsContact CG-CD 3.48Å; N972-E975 PolarHBondContact N-OE2 3.46Å; N972-E975 PolarHBondContact ND2-OE1 3.04Å; N972-E975 PolarHBondContact ND2-OE2 2.61Å; N972-E975 PolarHBondContact O-N 3.49Å; N972-E975 PolarHBondContact OD1-N 3.06Å; N972-A976 WeakPolarHBondContact O-CB 2.98Å; N972-A976 PolarHBondContact O-N 2.65Å | ||
| 973 | E | 76.8 | Confident | 78.1 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 10% | 0.098 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62 | -21.7 | -178.1 | -63.5 | 80.1 | -170.9 | 0 | 0 | 113.6 | L938 Q939 T962 G977 | L938-E973 HydrophobicContact CB-CB 3.89Å; L938-E973 HydrophobicContact CB-CG 4.09Å; Q939-E973 HydrophobicContact CG-CB 3.75Å; Q939-E973 HydrophobicContact CG-CG 4.35Å; T962-E973 VanDerWaalsContact CB-OE1 3.29Å; T962-E973 WeakPolarHBondContact CB-OE1 3.43Å; T962-E973 WeakPolarHBondContact CG2-OE1 3.46Å; T962-E973 PolarHBondContact OG1-OE1 3.12Å; E973-G977 PolarHBondContact O-N 3.28Å |
| 974 | H | 80.8 | Confident | 79 | Confident | 110 Ų | 110 | 50.7 Ų | 50.7 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -84.8 | -29.3 | -179.1 | -163.7 | -58.9 | 0 | 0 | 0 | 112.5 | N972 P978 | N972-H974 PolarHBondContact O-N 3.2Å; N972-H974 VanDerWaalsContact O-N 3.13Å; N972-H974 WeakPolarHBondContact OD1-CA 3.47Å; N972-H974 WeakPolarHBondContact OD1-CB 3.48Å; N972-H974 PolarHBondContact OD1-N 3.13Å; H974-P978 VanDerWaalsContact O-CD 3.27Å; H974-P978 WeakPolarHBondContact O-CD 3.11Å |
| 975 | E | 84.4 | Confident | 79.8 | Confident | 89 Ų | 89 | 51.1 Ų | 51.1 | 42% | 0.416 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -75.6 | -32.9 | 167.9 | -73.5 | 150 | -166.4 | 0 | 0 | 111.7 | I971 N972 P978 | I971-E975 WeakPolarHBondContact CA-OE2 3.16Å; I971-E975 HydrophobicContact CB-CB 4.09Å; I971-E975 WeakPolarHBondContact CB-OE2 3.25Å; N972-E975 VanDerWaalsContact CG-CD 3.48Å; N972-E975 PolarHBondContact N-OE2 3.46Å; N972-E975 PolarHBondContact ND2-OE1 3.04Å; N972-E975 PolarHBondContact ND2-OE2 2.61Å; N972-E975 PolarHBondContact O-N 3.49Å; N972-E975 PolarHBondContact OD1-N 3.06Å; E975-P978 WeakPolarHBondContact O-CD 3.31Å |
| 976 | A | 85.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L938 I963 I971 N972 L979 I980 | L938-A976 HydrophobicContact CD1-CB 3.97Å; I963-A976 HydrophobicContact CD1-CB 3.53Å; I971-A976 HydrophobicContact CD1-CB 3.94Å; N972-A976 WeakPolarHBondContact O-CB 2.98Å; N972-A976 PolarHBondContact O-N 2.65Å; A976-L979 PolarHBondContact O-N 3.47Å; A976-I980 HydrophobicContact CB-CD1 4.26Å; A976-I980 WeakPolarHBondContact O-CB 3.43Å; A976-I980 WeakPolarHBondContact O-CD1 3.41Å; A976-I980 VanDerWaalsContact O-CG1 3.27Å; A976-I980 WeakPolarHBondContact O-CG1 3.48Å; A976-I980 PolarHBondContact O-N 2.96Å |
| 977 | G | 89 | Confident | 81.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.3 | -52.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E973 I980 V981 | E973-G977 PolarHBondContact O-N 3.28Å; G977-I980 PolarHBondContact O-N 3.23Å; G977-V981 PolarHBondContact O-N 2.93Å |
| 978 | P | 89.9 | Confident | 82.3 | Confident | 57 Ų | 57 | 49.2 Ų | 49.2 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.5 | -45.9 | 171.2 | -25.9 | 32.9 | 0 | 0 | 0 | 114.2 | P931 H974 E975 I980 V981 Q982 | P931-P978 HydrophobicContact CB-CB 4.25Å; P931-P978 HydrophobicContact CB-CG 3.97Å; H974-P978 VanDerWaalsContact O-CD 3.27Å; H974-P978 WeakPolarHBondContact O-CD 3.11Å; E975-P978 WeakPolarHBondContact O-CD 3.31Å; P978-I980 VanDerWaalsContact C-N 3.34Å; P978-I980 PolarHBondContact O-N 2.76Å; P978-V981 PolarHBondContact O-N 3.27Å; P978-Q982 WeakPolarHBondContact O-CB 3.33Å; P978-Q982 PolarHBondContact O-N 3.11Å |
| 979 | L | 89.8 | Confident | 83.2 | Confident | 66 Ų | 66 | 51 Ų | 51 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.3 | -37.9 | -179 | -69.9 | 169.8 | 0 | 0 | 0 | 112.1 | L906 I971 A976 Q982 Q983 | L906-L979 HydrophobicContact CD1-CB 4.18Å; L906-L979 HydrophobicContact CD2-CB 4.33Å; I971-L979 HydrophobicContact CD1-CD1 3.65Å; A976-L979 PolarHBondContact O-N 3.47Å; L979-Q982 PolarHBondContact O-N 3Å; L979-Q983 VanDerWaalsContact O-CB 3.3Å; L979-Q983 WeakPolarHBondContact O-CB 3.35Å; L979-Q983 PolarHBondContact O-N 3.01Å |
| 980 | I | 91.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -46.5 | 176.5 | -75.3 | 162.5 | 0 | 0 | 0 | 111.4 | L903 L906 V907 L926 I934 L938 A976 G977 P978 Q982 Q983 A984 | L903-I980 HydrophobicContact CD1-CG2 4.47Å; L906-I980 HydrophobicContact CB-CD1 4Å; L906-I980 HydrophobicContact CB-CG1 3.52Å; L906-I980 HydrophobicContact CD1-CG1 3.93Å; L906-I980 HydrophobicContact CG-CG1 4.21Å; V907-I980 HydrophobicContact CG2-CD1 3.99Å; V907-I980 HydrophobicContact CG2-CG1 4.07Å; V907-I980 HydrophobicContact CG2-CG2 4.2Å; L926-I980 HydrophobicContact CD2-CG2 3.51Å; I934-I980 HydrophobicContact CG2-CB 4.4Å; I934-I980 HydrophobicContact CG2-CD1 4.36Å; I934-I980 HydrophobicContact CG2-CG2 4.17Å; L938-I980 HydrophobicContact CD1-CD1 3.62Å; L938-I980 HydrophobicContact CD2-CD1 4.35Å; A976-I980 HydrophobicContact CB-CD1 4.26Å; A976-I980 WeakPolarHBondContact O-CB 3.43Å; A976-I980 WeakPolarHBondContact O-CD1 3.41Å; A976-I980 VanDerWaalsContact O-CG1 3.27Å; A976-I980 WeakPolarHBondContact O-CG1 3.48Å; A976-I980 PolarHBondContact O-N 2.96Å; G977-I980 PolarHBondContact O-N 3.23Å; P978-I980 VanDerWaalsContact C-N 3.34Å; P978-I980 PolarHBondContact O-N 2.76Å; I980-Q982 VanDerWaalsContact C-N 3.33Å; I980-Q982 PolarHBondContact O-N 2.79Å; I980-Q983 PolarHBondContact O-N 2.95Å; I980-A984 VanDerWaalsContact O-CB 3.27Å; I980-A984 WeakPolarHBondContact O-CB 3.49Å; I980-A984 PolarHBondContact O-N 2.76Å |
| 981 | V | 91.7 | Very high | 83.5 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 177.7 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | A929 P931 I934 G977 P978 K985 | A929-V981 HydrophobicContact CB-CG2 4.35Å; P931-V981 HydrophobicContact CG-CB 4.4Å; P931-V981 HydrophobicContact CG-CG2 4.32Å; I934-V981 HydrophobicContact CG1-CG2 3.9Å; G977-V981 PolarHBondContact O-N 2.93Å; P978-V981 PolarHBondContact O-N 3.27Å; V981-K985 WeakPolarHBondContact O-CG 3.46Å; V981-K985 PolarHBondContact O-N 2.7Å |
| 982 | Q | 89.9 | Confident | 83.1 | Confident | 122 Ų | 122 | 45.3 Ų | 45.3 | 57% | 0.57 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -66.3 | -46.3 | 175.5 | -176.7 | 174.6 | -2.9 | 0 | 0 | 112 | P978 L979 I980 A984 K985 L986 | P978-Q982 WeakPolarHBondContact O-CB 3.33Å; P978-Q982 PolarHBondContact O-N 3.11Å; L979-Q982 PolarHBondContact O-N 3Å; I980-Q982 VanDerWaalsContact C-N 3.33Å; I980-Q982 PolarHBondContact O-N 2.79Å; Q982-A984 VanDerWaalsContact C-N 3.34Å; Q982-A984 PolarHBondContact O-N 3.37Å; Q982-K985 WeakPolarHBondContact O-CB 3.18Å; Q982-K985 PolarHBondContact O-N 3.33Å; Q982-L986 PolarHBondContact O-N 3.21Å; Q982-L986 VanDerWaalsContact O-N 3.15Å |
| 983 | Q | 85.6 | Confident | 82.5 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 41% | 0.411 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.8 | -33.3 | -179.5 | -161.9 | 68.2 | 7.6 | 0 | 0 | 112 | L903 L906 L979 I980 L986 L987 | L903-Q983 HydrophobicContact CD2-CB 3.95Å; L903-Q983 HydrophobicContact CD2-CG 3.99Å; L906-Q983 HydrophobicContact CD1-CB 4.33Å; L979-Q983 VanDerWaalsContact O-CB 3.3Å; L979-Q983 WeakPolarHBondContact O-CB 3.35Å; L979-Q983 PolarHBondContact O-N 3.01Å; I980-Q983 PolarHBondContact O-N 2.95Å; Q983-L986 PolarHBondContact O-N 2.77Å; Q983-L987 WeakPolarHBondContact O-CB 3.41Å; Q983-L987 PolarHBondContact O-N 3.48Å |
| 984 | A | 88.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L903 V923 L926 A927 I980 Q982 L988 | L903-A984 HydrophobicContact CD1-CB 4.18Å; L903-A984 HydrophobicContact CD2-CB 4.18Å; V923-A984 HydrophobicContact CG1-CB 3.94Å; V923-A984 WeakPolarHBondContact CG1-O 3.09Å; L926-A984 HydrophobicContact CB-CB 4.07Å; A927-A984 HydrophobicContact CB-CB 4.13Å; I980-A984 VanDerWaalsContact O-CB 3.27Å; I980-A984 WeakPolarHBondContact O-CB 3.49Å; I980-A984 PolarHBondContact O-N 2.76Å; Q982-A984 VanDerWaalsContact C-N 3.34Å; Q982-A984 PolarHBondContact O-N 3.37Å; A984-L988 WeakPolarHBondContact O-CB 3.39Å; A984-L988 PolarHBondContact O-N 2.59Å |
| 985 | K | 86.5 | Confident | 80.5 | Confident | 75 Ų | 75 | 48.9 Ų | 48.9 | 33% | 0.326 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 172.5 | -71.8 | 178.7 | -179.4 | -173.8 | 0 | 111.8 | A927 V981 Q982 L987 L988 E989 Y1049 | A927-K985 HydrophobicContact CB-CG 3.82Å; A927-K985 WeakPolarHBondContact O-CE 3.36Å; V981-K985 WeakPolarHBondContact O-CG 3.46Å; V981-K985 PolarHBondContact O-N 2.7Å; Q982-K985 WeakPolarHBondContact O-CB 3.18Å; Q982-K985 PolarHBondContact O-N 3.33Å; K985-L987 VanDerWaalsContact C-N 3.29Å; K985-L987 PolarHBondContact O-N 3.27Å; K985-L988 WeakPolarHBondContact O-CB 3.45Å; K985-L988 PolarHBondContact O-N 3.39Å; K985-E989 WeakPolarHBondContact O-CG 3.45Å; K985-E989 PolarHBondContact O-N 3.25Å; K985-Y1049 WeakPolarHBondContact CA-OH 3.46Å; K985-Y1049 HydrophobicContact CB-CE1 4.26Å; K985-Y1049 VanDerWaalsContact CB-OH 3.31Å; K985-Y1049 WeakPolarHBondContact CB-OH 3.43Å; K985-Y1049 HydrophobicContact CG-CE1 3.77Å; K985-Y1049 PolarHBondContact O-OH 3.41Å |
| 986 | L | 82.9 | Confident | 79 | Confident | 85 Ų | 85 | 50.4 Ų | 50.4 | 45% | 0.445 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.2 | -37 | -178.2 | -134.7 | 162.5 | 0 | 0 | 0 | 112.2 | Q982 Q983 T990 | Q982-L986 PolarHBondContact O-N 3.21Å; Q982-L986 VanDerWaalsContact O-N 3.15Å; Q983-L986 PolarHBondContact O-N 2.77Å; L986-T990 WeakPolarHBondContact O-CB 3.47Å; L986-T990 PolarHBondContact O-N 3.07Å; L986-T990 PolarHBondContact O-OG1 3.19Å |
| 987 | L | 81.1 | Confident | 77.1 | Confident | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 170.5 | -101.6 | 159.6 | 0 | 0 | 0 | 112.5 | R902 L903 V923 Q983 K985 E989 T990 D991 | R902-L987 HydrophobicContact CB-CD1 4.23Å; L903-L987 HydrophobicContact CD2-CD1 3.65Å; L903-L987 HydrophobicContact CG-CD1 4.26Å; V923-L987 HydrophobicContact CG1-CB 4.22Å; Q983-L987 WeakPolarHBondContact O-CB 3.41Å; Q983-L987 PolarHBondContact O-N 3.48Å; K985-L987 VanDerWaalsContact C-N 3.29Å; K985-L987 PolarHBondContact O-N 3.27Å; L987-E989 VanDerWaalsContact C-N 3.33Å; L987-E989 PolarHBondContact O-N 3.06Å; L987-T990 WeakPolarHBondContact O-CB 3.46Å; L987-T990 PolarHBondContact O-N 3.1Å; L987-T990 VanDerWaalsContact O-N 3.17Å; L987-D991 PolarHBondContact O-N 2.87Å |
| 988 | L | 81.6 | Confident | 75 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 179.4 | -154.3 | 76.9 | 0 | 0 | 0 | 111.9 | A927 A984 K985 D991 L992 Y1049 L1052 | A927-L988 HydrophobicContact CB-CD2 4.44Å; A984-L988 WeakPolarHBondContact O-CB 3.39Å; A984-L988 PolarHBondContact O-N 2.59Å; K985-L988 WeakPolarHBondContact O-CB 3.45Å; K985-L988 PolarHBondContact O-N 3.39Å; L988-D991 PolarHBondContact O-N 3.25Å; L988-L992 WeakPolarHBondContact O-CB 3.37Å; L988-L992 VanDerWaalsContact O-CG 3.22Å; L988-L992 WeakPolarHBondContact O-CG 3.31Å; L988-L992 PolarHBondContact O-N 2.84Å; L988-Y1049 HydrophobicContact CD2-CD1 4.15Å; L988-Y1049 HydrophobicContact CD2-CE1 3.74Å; L988-L1052 HydrophobicContact CD2-CD1 4.06Å |
| 989 | E | 76.8 | Confident | 72.8 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 33% | 0.332 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 173.6 | -70.5 | 169.6 | -174.1 | 0 | 0 | 111.2 | K985 L987 T993 I1002 Y1049 | K985-E989 WeakPolarHBondContact O-CG 3.45Å; K985-E989 PolarHBondContact O-N 3.25Å; L987-E989 VanDerWaalsContact C-N 3.33Å; L987-E989 PolarHBondContact O-N 3.06Å; E989-T993 WeakPolarHBondContact O-CB 3.21Å; E989-T993 PolarHBondContact O-N 2.97Å; E989-T993 PolarHBondContact O-OG1 2.96Å; E989-I1002 HydrophobicContact CB-CD1 4.29Å; E989-I1002 HydrophobicContact CG-CD1 3.78Å; E989-Y1049 VanDerWaalsContact CD-OH 3.28Å; E989-Y1049 VanDerWaalsContact CG-OH 3.31Å; E989-Y1049 WeakPolarHBondContact CG-OH 3.2Å; E989-Y1049 PolarHBondContact OE1-OH 3.29Å |
| 990 | T | 71.2 | Confident | 70.6 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | L986 L987 T993 S994 | L986-T990 WeakPolarHBondContact O-CB 3.47Å; L986-T990 PolarHBondContact O-N 3.07Å; L986-T990 PolarHBondContact O-OG1 3.19Å; L987-T990 WeakPolarHBondContact O-CB 3.46Å; L987-T990 PolarHBondContact O-N 3.1Å; L987-T990 VanDerWaalsContact O-N 3.17Å; T990-T993 PolarHBondContact O-N 2.98Å; T990-S994 PolarHBondContact O-N 3.12Å |
| 991 | D | 72 | Confident | 68.2 | Low | 30 Ų | 30 | 70 Ų | 70 | 16% | 0.16 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 177.4 | -73.9 | -7.4 | 0 | 0 | 0 | 111 | R902 L987 L988 T993 S994 V995 | R902-D991 IonicContact CZ-OD1 3.27Å; R902-D991 IonicContact CZ-OD2 2.77Å; R902-D991 VanDerWaalsContact CZ-OD2 3.25Å; R902-D991 IonicContact NH1-OD2 3.19Å; R902-D991 PolarHBondContact NH1-OD2 3.03Å; R902-D991 IonicContact NH2-OD1 2.7Å; R902-D991 PolarHBondContact NH2-OD1 2.85Å; R902-D991 IonicContact NH2-OD2 2.75Å; R902-D991 PolarHBondContact NH2-OD2 3.07Å; L987-D991 PolarHBondContact O-N 2.87Å; L988-D991 PolarHBondContact O-N 3.25Å; D991-T993 PolarHBondContact O-N 3.34Å; D991-S994 WeakPolarHBondContact O-CB 3.34Å; D991-S994 PolarHBondContact O-N 3.27Å; D991-S994 VanDerWaalsContact O-N 3.13Å; D991-S994 PolarHBondContact O-OG 2.9Å; D991-V995 PolarHBondContact O-N 2.84Å |
| 992 | L | 71.8 | Confident | 65.9 | Low | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 176.5 | -70.4 | 168.2 | 0 | 0 | 0 | 111.8 | L988 S994 V995 Y996 L1000 I1002 L1052 L1057 | L988-L992 WeakPolarHBondContact O-CB 3.37Å; L988-L992 VanDerWaalsContact O-CG 3.22Å; L988-L992 WeakPolarHBondContact O-CG 3.31Å; L988-L992 PolarHBondContact O-N 2.84Å; L992-S994 VanDerWaalsContact C-N 3.25Å; L992-S994 PolarHBondContact O-N 3.24Å; L992-V995 PolarHBondContact O-N 3.37Å; L992-Y996 HydrophobicContact CB-CD2 4.46Å; L992-Y996 HydrophobicContact CD2-CD2 4.18Å; L992-Y996 HydrophobicContact CD2-CE2 3.79Å; L992-Y996 VanDerWaalsContact O-CD2 3.32Å; L992-Y996 WeakPolarHBondContact O-CD2 3.43Å; L992-Y996 PolarHBondContact O-N 2.88Å; L992-L1000 HydrophobicContact CB-CD2 3.66Å; L992-I1002 HydrophobicContact CB-CD1 4.46Å; L992-I1002 HydrophobicContact CD1-CD1 3.81Å; L992-L1052 HydrophobicContact CD1-CD1 4.26Å; L992-L1052 HydrophobicContact CD2-CD2 4.47Å; L992-L1057 HydrophobicContact CD2-CD1 3.86Å; L992-L1057 HydrophobicContact CG-CD1 4.42Å |
| 993 | T | 64.6 | Low | 63.3 | Low | 52 Ų | 52 | 69.9 Ų | 69.9 | 32% | 0.319 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.7 | -31.9 | 176.3 | -53.7 | 0 | 0 | 0 | 0 | 112 | E989 T990 D991 G997 | E989-T993 WeakPolarHBondContact O-CB 3.21Å; E989-T993 PolarHBondContact O-N 2.97Å; E989-T993 PolarHBondContact O-OG1 2.96Å; T990-T993 PolarHBondContact O-N 2.98Å; D991-T993 PolarHBondContact O-N 3.34Å; T993-G997 WeakPolarHBondContact CG2-O 3.45Å; T993-G997 CarbonylContact O-C 3.55Å; T993-G997 VanDerWaalsContact O-CA 3.3Å; T993-G997 WeakPolarHBondContact O-CA 3.46Å; T993-G997 PolarHBondContact O-N 3.16Å |
| 994 | S | 56.4 | Low | 60.8 | Low | 95 Ų | 95 | 69.5 Ų | 69.5 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.5 | -28.3 | 177 | 79.8 | 0 | 0 | 0 | 0 | 113.6 | T990 D991 L992 | T990-S994 PolarHBondContact O-N 3.12Å; D991-S994 WeakPolarHBondContact O-CB 3.34Å; D991-S994 PolarHBondContact O-N 3.27Å; D991-S994 VanDerWaalsContact O-N 3.13Å; D991-S994 PolarHBondContact O-OG 2.9Å; L992-S994 VanDerWaalsContact C-N 3.25Å; L992-S994 PolarHBondContact O-N 3.24Å |
| 995 | V | 59.2 | Low | 57.8 | Low | 86 Ų | 86 | 78 Ų | 78 | 52% | 0.521 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -90.2 | -38.4 | -179.7 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | D991 L992 | D991-V995 PolarHBondContact O-N 2.84Å; L992-V995 PolarHBondContact O-N 3.37Å |
| 996 | Y | 53.4 | Low | 55 | Low | 120 Ų | 120 | 80.9 Ų | 80.9 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -106.8 | -3 | -172.9 | -60.5 | -67.2 | 0 | 0 | 0 | 114.6 | L992 L1000 | L992-Y996 HydrophobicContact CB-CD2 4.46Å; L992-Y996 HydrophobicContact CD2-CD2 4.18Å; L992-Y996 HydrophobicContact CD2-CE2 3.79Å; L992-Y996 VanDerWaalsContact O-CD2 3.32Å; L992-Y996 WeakPolarHBondContact O-CD2 3.43Å; L992-Y996 PolarHBondContact O-N 2.88Å; Y996-L1000 HydrophobicContact CD2-CD2 4.17Å |
| 997 | G | 45.8 | Very low | 52.2 | Low | 34 Ų | 34 | 85.2 Ų | 85.2 | 35% | 0.351 | 45% | 0.451 | S | S | . | . | trans | 88.7 | 175.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | T993 D999 | T993-G997 WeakPolarHBondContact CG2-O 3.45Å; T993-G997 CarbonylContact O-C 3.55Å; T993-G997 VanDerWaalsContact O-CA 3.3Å; T993-G997 WeakPolarHBondContact O-CA 3.46Å; T993-G997 PolarHBondContact O-N 3.16Å; G997-D999 VanDerWaalsContact C-N 3.26Å; G997-D999 PolarHBondContact O-N 3.34Å | ||
| 998 | K | 44.8 | Very low | 49.4 | Very low | 192 Ų | 192 | 93.5 Ų | 93.5 | 84% | 0.835 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.1 | -171.8 | -73.7 | -175 | 178.7 | 177 | 0 | 115.2 | L1000 | K998-L1000 VanDerWaalsContact C-N 3.29Å; K998-L1000 PolarHBondContact O-N 2.91Å |
| 999 | D | 43.5 | Very low | 46.7 | Very low | 140 Ų | 140 | 97.5 Ų | 97.5 | 75% | 0.749 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 12.6 | -169.6 | -53 | -38.9 | 0 | 0 | 0 | 113.2 | G997 I1001 | G997-D999 VanDerWaalsContact C-N 3.26Å; G997-D999 PolarHBondContact O-N 3.34Å; D999-I1001 PolarHBondContact O-N 3.29Å |
| 1000 | L | 44.7 | Very low | 44.1 | Very low | 31 Ų | 31 | 102.6 Ų | 102.6 | 16% | 0.162 | 54% | 0.541 | C | S | . | . | trans | -80.6 | 109.3 | -176.3 | -166.8 | 76.2 | 0 | 0 | 0 | 112 | L992 Y996 K998 I1002 V1045 | L992-L1000 HydrophobicContact CB-CD2 3.66Å; Y996-L1000 HydrophobicContact CD2-CD2 4.17Å; K998-L1000 VanDerWaalsContact C-N 3.29Å; K998-L1000 PolarHBondContact O-N 2.91Å; L1000-I1002 HydrophobicContact CD2-CD1 4.04Å; L1000-I1002 HydrophobicContact CD2-CG1 4.27Å; L1000-I1002 HydrophobicContact CG-CG1 4.37Å; L1000-V1045 HydrophobicContact CD1-CB 4.23Å | ||
| 1001 | I | 40.1 | Very low | 41.8 | Very low | 137 Ų | 137 | 106.1 Ų | 106.1 | 70% | 0.703 | 56% | 0.558 | S | S | * | * | trans | -96.2 | 110.4 | 179.1 | -56 | 176.6 | 0 | 0 | 0 | 110.5 | D999 V1003 | D999-I1001 PolarHBondContact O-N 3.29Å; I1001-V1003 HydrophobicContact CG2-CG2 4.1Å | ||
| 1002 | I | 43 | Very low | 39.5 | Very low | 46 Ų | 46 | 110 Ų | 110 | 24% | 0.236 | 59% | 0.587 | C | S | . | * | trans | -96.3 | 113.1 | -179.7 | -66.6 | 168.3 | 0 | 0 | 0 | 110 | E989 L992 L1000 Y1049 | E989-I1002 HydrophobicContact CB-CD1 4.29Å; E989-I1002 HydrophobicContact CG-CD1 3.78Å; L992-I1002 HydrophobicContact CB-CD1 4.46Å; L992-I1002 HydrophobicContact CD1-CD1 3.81Å; L1000-I1002 HydrophobicContact CD2-CD1 4.04Å; L1000-I1002 HydrophobicContact CD2-CG1 4.27Å; L1000-I1002 HydrophobicContact CG-CG1 4.37Å; I1002-Y1049 HydrophobicContact CG2-CE2 4.15Å | ||
| 1003 | V | 34.8 | Very low | 37.1 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | trans | -102.3 | 104.8 | -174.7 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | I1001 K1005 | I1001-V1003 HydrophobicContact CG2-CG2 4.1Å; V1003-K1005 PolarHBondContact O-N 3.24Å; V1003-K1005 VanDerWaalsContact O-N 3.09Å | ||
| 1004 | S | 34.3 | Very low | 35.1 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | trans | -68.2 | 104.8 | 178.2 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | N1006 | S1004-N1006 VanDerWaalsContact C-N 3.31Å; S1004-N1006 PolarHBondContact O-N 2.88Å | ||
| 1005 | K | 26.1 | Very low | 33.5 | Very low | 179 Ų | 179 | 125 Ų | 125 | 78% | 0.778 | 65% | 0.653 | S | S | * | * | trans | -69.4 | 82.2 | 168.4 | -82.9 | -166.9 | 173 | -173.4 | 0 | 111.7 | V1003 | V1003-K1005 PolarHBondContact O-N 3.24Å; V1003-K1005 VanDerWaalsContact O-N 3.09Å | ||
| 1006 | N | 26.2 | Very low | 31.7 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | -158.1 | 95.4 | 160.3 | -89.8 | -53 | 0 | 0 | 0 | 109.9 | S1004 | S1004-N1006 VanDerWaalsContact C-N 3.31Å; S1004-N1006 PolarHBondContact O-N 2.88Å | ||
| 1007 | H | 25.6 | Very low | 30.2 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.815 | 69% | 0.687 | S | S | * | * | trans | 175.9 | 84.8 | 138.5 | -96.3 | -63.3 | 0 | 0 | 0 | 110.9 | ||||
| 1008 | E | 21.6 | Very low | 29.1 | Very low | 202 Ų | 202 | 134.8 Ų | 134.8 | 94% | 0.944 | 71% | 0.707 | S | S | * | * | trans | -97.5 | 90 | 156.6 | -77.4 | -174.8 | 168.5 | 0 | 0 | 108.7 | ||||
| 1009 | S | 24.2 | Very low | 28 | Very low | 95 Ų | 95 | 132.8 Ų | 132.8 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | trans | -172.8 | 128.1 | 164.5 | 51.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1010 | E | 22.4 | Very low | 26.9 | Very low | 177 Ų | 177 | 133 Ų | 133 | 83% | 0.827 | 71% | 0.711 | S | S | * | * | trans | -84.2 | 160.5 | -166.8 | -55.1 | 176 | 97 | 0 | 0 | 114.9 | ||||
| 1011 | N | 23.8 | Very low | 25.8 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 53.8 | 95.6 | 147.3 | -62.6 | -35.1 | 0 | 0 | 0 | 119.4 | ||||
| 1012 | S | 23.3 | Very low | 25 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | 165.1 | 146.9 | 89.4 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1013 | M | 22.2 | Very low | 24 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | trans | 36.3 | 122.5 | 153.5 | -58.5 | 179 | 73.7 | 0 | 0 | 119.1 | ||||
| 1014 | K | 22.5 | Very low | 23.5 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | cis | -146 | 158.6 | 28.3 | -69.4 | -178.8 | 179.7 | 174.5 | 0 | 111.8 | ||||
| 1015 | P | 22.6 | Very low | 23 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 145.7 | 179.3 | 32.6 | -35.8 | 0 | 0 | 0 | 113.3 | ||
| 1016 | V | 21.2 | Very low | 22.8 | Very low | 146 Ų | 146 | 153 Ų | 153 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 132.6 | 155.1 | 176.9 | 0 | 0 | 0 | 0 | 107.4 | ||
| 1017 | K | 21.7 | Very low | 22.6 | Very low | 187 Ų | 187 | 153 Ų | 153 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 158.9 | 176.7 | -84.1 | -172.1 | 168.7 | -167 | 0 | 111.3 | ||
| 1018 | S | 22.1 | Very low | 22.7 | Very low | 111 Ų | 111 | 154.7 Ų | 154.7 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | 72.1 | 143.9 | 172.2 | 81.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1019 | I | 22.7 | Very low | 22.8 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | cis | -128.9 | 120.8 | 4 | -60.1 | 165.3 | 0 | 0 | 0 | 109.7 | ||||
| 1020 | T | 20.3 | Very low | 22.7 | Very low | 146 Ų | 146 | 154.2 Ų | 154.2 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -154.2 | 71.4 | 156.2 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1021 | E | 21.4 | Very low | 22.7 | Very low | 177 Ų | 177 | 154 Ų | 154 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -128.3 | 113 | 156.1 | -77 | -178.3 | 157.3 | 0 | 0 | 105.8 | ||||
| 1022 | D | 22.4 | Very low | 22.7 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | 171.6 | 73.3 | 152.6 | -92.1 | -13.2 | 0 | 0 | 0 | 108.8 | ||||
| 1023 | F | 22.6 | Very low | 22.7 | Very low | 200 Ų | 200 | 157.3 Ų | 157.3 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -141.2 | 120.3 | 160.7 | -115.2 | -78.3 | 0 | 0 | 0 | 107.5 | ||||
| 1024 | I | 25.1 | Very low | 22.7 | Very low | 161 Ų | 161 | 157.8 Ų | 157.8 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | 151.2 | 103.1 | 150.7 | -77.9 | 153.7 | 0 | 0 | 0 | 107.3 | ||||
| 1025 | D | 22.2 | Very low | 22.7 | Very low | 142 Ų | 142 | 155.3 Ų | 155.3 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | -142.5 | 123.7 | 113.4 | -161.2 | -9.2 | 0 | 0 | 0 | 108.4 | |||||
| 1026 | C | 22.3 | Very low | 22.8 | Very low | 123 Ų | 123 | 156.4 Ų | 156.4 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -156.1 | 43.9 | -172.6 | -94.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1027 | D | 23.5 | Very low | 22.9 | Very low | 136 Ų | 136 | 154 Ų | 154 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -126.1 | 71.8 | 176.2 | -130.4 | -25.1 | 0 | 0 | 0 | 112.9 | ||||
| 1028 | K | 27.6 | Very low | 23 | Very low | 210 Ų | 210 | 154.1 Ų | 154.1 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | -142.9 | 105.6 | 155.2 | -116.8 | 161.8 | -165.8 | 164.9 | 0 | 112.3 | ||||
| 1029 | I | 23 | Very low | 23.1 | Very low | 128 Ų | 128 | 155.8 Ų | 155.8 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | trans | -59.7 | 131.1 | 177.7 | -64.3 | 161.3 | 0 | 0 | 0 | 110.5 | K1031 | I1029-K1031 HydrophobicContact CG2-CB 4.26Å; I1029-K1031 HydrophobicContact CG2-CG 4.1Å | ||
| 1030 | N | 22.5 | Very low | 23.1 | Very low | 159 Ų | 159 | 156.7 Ų | 156.7 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -134 | 97.6 | 130.8 | -150.3 | 11 | 0 | 0 | 0 | 110.1 | N1032 | N1030-N1032 PolarHBondContact O-N 3.44Š| ||
| 1031 | K | 22.2 | Very low | 23.3 | Very low | 172 Ų | 172 | 157.2 Ų | 157.2 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -85.9 | 96.6 | 172.1 | -76.4 | 173.8 | 179.6 | 175.4 | 0 | 107.7 | I1029 | I1029-K1031 HydrophobicContact CG2-CB 4.26Å; I1029-K1031 HydrophobicContact CG2-CG 4.1Å | ||
| 1032 | N | 23 | Very low | 23.4 | Very low | 145 Ų | 145 | 156.2 Ų | 156.2 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | -179.1 | 89.4 | 152.8 | -92.2 | -17.3 | 0 | 0 | 0 | 108.5 | N1030 | N1030-N1032 PolarHBondContact O-N 3.44Š| ||
| 1033 | D | 24.3 | Very low | 23.5 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | trans | -161.8 | 106.8 | 141.9 | -91.9 | -31.3 | 0 | 0 | 0 | 106.5 | ||||
| 1034 | M | 21.6 | Very low | 23.6 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -120.6 | 155.1 | 175.8 | -80.2 | -176.3 | 61.9 | 0 | 0 | 108.1 | ||||
| 1035 | V | 23.1 | Very low | 23.7 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | 74.2 | 107.1 | -174.1 | -167 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1036 | D | 23.9 | Very low | 23.9 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | -143.4 | 165.4 | 54.3 | -126.7 | -36.5 | 0 | 0 | 0 | 118.7 | |||||
| 1037 | S | 23.7 | Very low | 24.4 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | trans | 16.4 | 97.5 | 166.5 | 63 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1038 | K | 23.2 | Very low | 25.1 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 83% | 0.826 | 72% | 0.715 | S | S | * | * | 76.2 | 97.5 | 80.5 | -75.8 | -176.6 | 177 | 174.9 | 0 | 117.6 | |||||
| 1039 | N | 24.6 | Very low | 25.9 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | trans | 71.4 | 74.8 | 135.3 | -58.7 | 6.7 | 0 | 0 | 0 | 120 | ||||
| 1040 | N | 23 | Very low | 26.6 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 90% | 0.898 | 68% | 0.681 | S | S | * | * | trans | -64 | 126.6 | 139.1 | -77.2 | -21.8 | 0 | 0 | 0 | 109.2 | ||||
| 1041 | Q | 24.1 | Very low | 27.4 | Very low | 157 Ų | 157 | 123.6 Ų | 123.6 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | trans | -86.3 | 126.8 | 166.6 | -76.2 | -172.8 | -15.8 | 0 | 0 | 109.8 | M1043 | Q1041-M1043 PolarHBondContact O-N 3.27Š| ||
| 1042 | L | 24 | Very low | 28.2 | Very low | 156 Ų | 156 | 115.7 Ų | 115.7 | 82% | 0.817 | 63% | 0.632 | S | S | * | * | trans | -67.9 | 114.8 | 170.8 | -73.5 | 93.7 | 0 | 0 | 0 | 110.1 | A1044 | L1042-A1044 PolarHBondContact O-N 2.96Š| ||
| 1043 | M | 24.1 | Very low | 29 | Very low | 135 Ų | 135 | 114.5 Ų | 114.5 | 67% | 0.665 | 62% | 0.621 | S | S | * | * | trans | -83.1 | 100 | 166.7 | -78.8 | -151.2 | 175.1 | 0 | 0 | 110.6 | Q1041 V1045 | Q1041-M1043 PolarHBondContact O-N 3.27Å; M1043-V1045 HydrophobicContact CB-CG2 4.33Å; M1043-V1045 PolarHBondContact O-N 3.49Å | ||
| 1044 | A | 24.5 | Very low | 29.6 | Very low | 96 Ų | 96 | 113 Ų | 113 | 79% | 0.793 | 61% | 0.613 | S | S | * | * | trans | -75.9 | 88.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1042 N1046 | L1042-A1044 PolarHBondContact O-N 2.96Å; A1044-N1046 PolarHBondContact O-N 3.23Å | ||
| 1045 | V | 27 | Very low | 30.2 | Very low | 54 Ų | 54 | 108.6 Ų | 108.6 | 33% | 0.327 | 59% | 0.593 | S | S | . | * | trans | -79.9 | 96.8 | -178.4 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | L1000 M1043 L1047 | L1000-V1045 HydrophobicContact CD1-CB 4.23Å; M1043-V1045 HydrophobicContact CB-CG2 4.33Å; M1043-V1045 PolarHBondContact O-N 3.49Å; V1045-L1047 HydrophobicContact CG1-CD1 3.75Å; V1045-L1047 HydrophobicContact CG1-CG 3.92Å; V1045-L1047 PolarHBondContact O-N 3.23Å; V1045-L1047 VanDerWaalsContact O-N 3.13Å | ||
| 1046 | N | 26.2 | Very low | 30.7 | Very low | 132 Ų | 132 | 107.9 Ų | 107.9 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -80.7 | 88.2 | -177.7 | -125.1 | -46.5 | 0 | 0 | 0 | 111.6 | A1044 | A1044-N1046 PolarHBondContact O-N 3.23Š| ||
| 1047 | L | 33.9 | Very low | 31.3 | Very low | 44 Ų | 44 | 104 Ų | 104 | 23% | 0.23 | 56% | 0.563 | C | S | . | * | trans | -101.4 | 134.1 | -179.6 | -83.3 | 164 | 0 | 0 | 0 | 113.4 | V1045 L1052 | V1045-L1047 HydrophobicContact CG1-CD1 3.75Å; V1045-L1047 HydrophobicContact CG1-CG 3.92Å; V1045-L1047 PolarHBondContact O-N 3.23Å; V1045-L1047 VanDerWaalsContact O-N 3.13Å; L1047-L1052 HydrophobicContact CD1-CD2 4.43Å | ||
| 1048 | S | 38.5 | Very low | 31.7 | Very low | 42 Ų | 42 | 102.9 Ų | 102.9 | 29% | 0.294 | 55% | 0.553 | S | S | . | * | trans | -92.9 | 136.8 | 170.4 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | N1050 S1051 | S1048-N1050 PolarHBondContact O-N 2.97Å; S1048-N1050 VanDerWaalsContact O-N 3.14Å; S1048-N1050 PolarHBondContact OG-N 2.86Å; S1048-S1051 WeakPolarHBondContact O-CB 3.22Å; S1048-S1051 PolarHBondContact O-N 3.15Å | ||
| 1049 | Y | 42.7 | Very low | 32 | Very low | 30 Ų | 30 | 100.7 Ų | 100.7 | 12% | 0.118 | 54% | 0.543 | C | S | . | . | G | 310 helix | trans | -54.2 | -31.9 | 174.4 | -93 | -80.2 | 0 | 0 | 0 | 113.2 | A927 K985 L988 E989 I1002 S1051 | A927-Y1049 HydrophobicContact CB-CD1 4.15Å; A927-Y1049 HydrophobicContact CB-CE1 3.93Å; K985-Y1049 WeakPolarHBondContact CA-OH 3.46Å; K985-Y1049 HydrophobicContact CB-CE1 4.26Å; K985-Y1049 VanDerWaalsContact CB-OH 3.31Å; K985-Y1049 WeakPolarHBondContact CB-OH 3.43Å; K985-Y1049 HydrophobicContact CG-CE1 3.77Å; K985-Y1049 PolarHBondContact O-OH 3.41Å; L988-Y1049 HydrophobicContact CD2-CD1 4.15Å; L988-Y1049 HydrophobicContact CD2-CE1 3.74Å; E989-Y1049 VanDerWaalsContact CD-OH 3.28Å; E989-Y1049 VanDerWaalsContact CG-OH 3.31Å; E989-Y1049 WeakPolarHBondContact CG-OH 3.2Å; E989-Y1049 PolarHBondContact OE1-OH 3.29Å; I1002-Y1049 HydrophobicContact CG2-CE2 4.15Å; Y1049-S1051 PolarHBondContact O-N 3.44Å |
| 1050 | N | 39.1 | Very low | 32 | Very low | 135 Ų | 135 | 97.3 Ų | 97.3 | 72% | 0.722 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -74.3 | -6.9 | 177.7 | -64.9 | -1 | 0 | 0 | 0 | 113.6 | S1048 | S1048-N1050 PolarHBondContact O-N 2.97Å; S1048-N1050 VanDerWaalsContact O-N 3.14Å; S1048-N1050 PolarHBondContact OG-N 2.86Å |
| 1051 | S | 38.9 | Very low | 32 | Very low | 76 Ų | 76 | 95 Ų | 95 | 53% | 0.531 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -110.5 | 1.4 | -178.8 | -55.5 | 0 | 0 | 0 | 0 | 113.2 | S1048 Y1049 | S1048-S1051 WeakPolarHBondContact O-CB 3.22Å; S1048-S1051 PolarHBondContact O-N 3.15Å; Y1049-S1051 PolarHBondContact O-N 3.44Å |
| 1052 | L | 39.6 | Very low | 31.9 | Very low | 7 Ų | 7 | 94.8 Ų | 94.8 | 4% | 0.037 | 54% | 0.537 | C | S | . | . | trans | -91.5 | 7.8 | 179.2 | -86.3 | 158.3 | 0 | 0 | 0 | 113.6 | S924 L988 L992 L1047 D1054 L1055 | S924-L1052 PolarHBondContact OG-O 3.41Å; L988-L1052 HydrophobicContact CD2-CD1 4.06Å; L992-L1052 HydrophobicContact CD1-CD1 4.26Å; L992-L1052 HydrophobicContact CD2-CD2 4.47Å; L1047-L1052 HydrophobicContact CD1-CD2 4.43Å; L1052-D1054 VanDerWaalsContact C-N 3.31Å; L1052-D1054 PolarHBondContact O-N 3Å; L1052-L1055 HydrophobicContact CD2-CB 4.25Å; L1052-L1055 HydrophobicContact CD2-CD1 3.93Å; L1052-L1055 PolarHBondContact O-N 3.41Å | ||
| 1053 | H | 38.6 | Very low | 31.7 | Very low | 119 Ų | 119 | 98 Ų | 98 | 55% | 0.551 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -21.5 | -175.6 | -154.6 | -58.1 | 0 | 0 | 0 | 113.5 | ||
| 1054 | D | 37.3 | Very low | 31.6 | Very low | 142 Ų | 142 | 97.3 Ų | 97.3 | 76% | 0.759 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -9.3 | 179.8 | -61.3 | -42.2 | 0 | 0 | 0 | 113.8 | L1052 N1056 | L1052-D1054 VanDerWaalsContact C-N 3.31Å; L1052-D1054 PolarHBondContact O-N 3Å; D1054-N1056 PolarHBondContact O-N 3.28Å |
| 1055 | L | 33.4 | Very low | 31.5 | Very low | 84 Ų | 84 | 98.6 Ų | 98.6 | 44% | 0.44 | 54% | 0.541 | S | S | . | . | trans | -95.5 | 84.8 | -175.7 | -85.8 | 164.6 | 0 | 0 | 0 | 111.7 | L1052 L1057 | L1052-L1055 HydrophobicContact CD2-CB 4.25Å; L1052-L1055 HydrophobicContact CD2-CD1 3.93Å; L1052-L1055 PolarHBondContact O-N 3.41Å; L1055-L1057 VanDerWaalsContact C-N 3.33Å; L1055-L1057 PolarHBondContact O-N 3.44Å | ||
| 1056 | N | 34.4 | Very low | 31.3 | Very low | 113 Ų | 113 | 102.9 Ų | 102.9 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | trans | -81.7 | 74.1 | -179.1 | -157.4 | -0.2 | 0 | 0 | 0 | 112.2 | D1054 T1058 | D1054-N1056 PolarHBondContact O-N 3.28Å; N1056-T1058 PolarHBondContact O-N 2.95Å; N1056-T1058 PolarHBondContact OD1-OG1 3.16Å | ||
| 1057 | L | 36 | Very low | 31.1 | Very low | 62 Ų | 62 | 105 Ų | 105 | 33% | 0.325 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | -10.7 | -171.4 | -74.6 | 162.4 | 0 | 0 | 0 | 115.9 | L992 L1055 K1059 | L992-L1057 HydrophobicContact CD2-CD1 3.86Å; L992-L1057 HydrophobicContact CG-CD1 4.42Å; L1055-L1057 VanDerWaalsContact C-N 3.33Å; L1055-L1057 PolarHBondContact O-N 3.44Å; L1057-K1059 PolarHBondContact O-N 2.56Å |
| 1058 | T | 32 | Very low | 30.9 | Very low | 73 Ų | 73 | 107.6 Ų | 107.6 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | 2.6 | -173.5 | 54.6 | 0 | 0 | 0 | 0 | 115.3 | D899 N1056 | D899-T1058 HydrophobicContact CB-CG2 4.36Å; D899-T1058 WeakPolarHBondContact OD1-CG2 3.38Å; N1056-T1058 PolarHBondContact O-N 2.95Å; N1056-T1058 PolarHBondContact OD1-OG1 3.16Å |
| 1059 | K | 30.1 | Very low | 30.5 | Very low | 144 Ų | 144 | 112.3 Ų | 112.3 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -112.5 | 113.3 | 168.9 | -72.3 | -171.5 | 176.3 | -177.9 | 0 | 109.7 | L1057 C1061 | L1057-K1059 PolarHBondContact O-N 2.56Å; K1059-C1061 PolarHBondContact O-N 3.32Å |
| 1060 | G | 25.6 | Very low | 29.6 | Very low | 74 Ų | 74 | 118.3 Ų | 118.3 | 76% | 0.763 | 63% | 0.628 | S | S | * | * | trans | -61.2 | 100.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1062 | G1060-E1062 PolarHBondContact O-N 3.1Š| ||
| 1061 | C | 21.6 | Very low | 29.1 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | trans | -84.3 | 81.2 | 172.9 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | K1059 | K1059-C1061 PolarHBondContact O-N 3.32Š| ||
| 1062 | E | 21.7 | Very low | 28.4 | Very low | 152 Ų | 152 | 120.4 Ų | 120.4 | 71% | 0.71 | 64% | 0.641 | S | S | * | * | trans | -61.9 | 144.8 | 151.5 | -68.2 | 176.5 | 121.4 | 0 | 0 | 109.3 | R880 G1060 V1064 | R880-E1062 IonicContact NH2-OE2 2.64Å; R880-E1062 PolarHBondContact NH2-OE2 3.48Å; G1060-E1062 PolarHBondContact O-N 3.1Å; E1062-V1064 PolarHBondContact O-N 3Å | ||
| 1063 | Y | 21.4 | Very low | 27.9 | Very low | 224 Ų | 224 | 129.3 Ų | 129.3 | 88% | 0.878 | 68% | 0.682 | S | S | * | * | trans | -63.1 | 117.9 | -168.3 | -83 | -106.5 | 0 | 0 | 0 | 113 | ||||
| 1064 | V | 21 | Very low | 27.2 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -83.9 | 107.8 | 157.2 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | E1062 D1066 | E1062-V1064 PolarHBondContact O-N 3Å; V1064-D1066 VanDerWaalsContact C-N 3.32Å; V1064-D1066 HydrophobicContact CG1-CB 4.26Å; V1064-D1066 PolarHBondContact O-N 3.31Å; V1064-D1066 VanDerWaalsContact O-N 3.11Å | ||
| 1065 | V | 21.8 | Very low | 26.6 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 74% | 0.739 | 69% | 0.69 | S | S | * | * | trans | -81.3 | 81.6 | 171 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1066 | D | 23.2 | Very low | 26.2 | Very low | 145 Ų | 145 | 130.9 Ų | 130.9 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -93.4 | 98.5 | 168.5 | -104.8 | -35.1 | 0 | 0 | 0 | 110.2 | V1064 | V1064-D1066 VanDerWaalsContact C-N 3.32Å; V1064-D1066 HydrophobicContact CG1-CB 4.26Å; V1064-D1066 PolarHBondContact O-N 3.31Å; V1064-D1066 VanDerWaalsContact O-N 3.11Å | ||
| 1067 | K | 23.6 | Very low | 25.8 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | trans | -84.2 | 134.9 | 144.9 | -65.2 | 176.7 | -178.9 | 174.8 | 0 | 105.1 | ||||
| 1068 | D | 28.1 | Very low | 25.3 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 53% | 0.529 | 74% | 0.739 | S | S | . | * | cis | -165.5 | 165.2 | 44.9 | -137.1 | -20.5 | 0 | 0 | 0 | 115.5 | ||||
| 1069 | K | 29.9 | Very low | 24.9 | Very low | 142 Ų | 142 | 136 Ų | 136 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | trans | 48.5 | 100.8 | 153.5 | -70.3 | 142.8 | -170.1 | 153.7 | 0 | 120.2 | S1179 | K1069-S1179 PolarHBondContact NZ-OG 3.23Š| ||
| 1070 | N | 24.6 | Very low | 24.5 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -66.2 | 132.6 | 141.3 | -90.9 | -12.5 | 0 | 0 | 0 | 110.1 | ||||
| 1071 | H | 28.7 | Very low | 24.4 | Very low | 194 Ų | 194 | 141 Ų | 141 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | 173 | 119.5 | 133.7 | -90.5 | -65.3 | 0 | 0 | 0 | 107.5 | ||||
| 1072 | G | 24.5 | Very low | 24.3 | Very low | 61 Ų | 61 | 141.3 Ų | 141.3 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | cis | 121.5 | 91 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1073 | H | 29.2 | Very low | 24.4 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | trans | -142 | 107.8 | 156.3 | -118.4 | -76.2 | 0 | 0 | 0 | 111.4 | ||||
| 1074 | L | 22.6 | Very low | 24.4 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -55 | 172.4 | 163.1 | -61.7 | 139.1 | 0 | 0 | 0 | 110.2 | ||||
| 1075 | N | 24.5 | Very low | 24.4 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | cis | -169.6 | 178.3 | 38.9 | -145.1 | 8.7 | 0 | 0 | 0 | 108.3 | ||||
| 1076 | V | 26.6 | Very low | 24.5 | Very low | 100 Ų | 100 | 145 Ų | 145 | 61% | 0.606 | 77% | 0.769 | S | S | * | * | cis | -156.1 | 150.5 | 32.4 | -173.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1077 | E | 25.9 | Very low | 24.4 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | 68.4 | 133.9 | 153 | -87.8 | 154.4 | -137.7 | 0 | 0 | 121.7 | ||||
| 1078 | G | 25.1 | Very low | 24.3 | Very low | 87 Ų | 87 | 146.3 Ų | 146.3 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 172.5 | -32.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 1079 | G | 24 | Very low | 24 | Very low | 79 Ų | 79 | 146.1 Ų | 146.1 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | 139.2 | 116.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1080 | E | 21.2 | Very low | 23.6 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -92.9 | 137.5 | -175 | -62.4 | 179.6 | 123.9 | 0 | 0 | 113.3 | ||||
| 1081 | V | 22.5 | Very low | 23.5 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -128.9 | 104.5 | 147.1 | 177.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1082 | E | 21 | Very low | 23.3 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 59% | 0.593 | 78% | 0.779 | S | S | * | * | trans | -92.1 | 109.6 | -168.1 | -168.7 | -160.9 | -160.9 | 0 | 0 | 112.3 | K1084 | E1082-K1084 HydrophobicContact CG-CG 4.27Å; E1082-K1084 IonicContact OE1-NZ 2.73Å; E1082-K1084 PolarHBondContact OE1-NZ 3.35Å; E1082-K1084 IonicContact OE2-NZ 3.22Å; E1082-K1084 PolarHBondContact OE2-NZ 3.04Å | ||
| 1083 | V | 22.6 | Very low | 23.2 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -96.1 | 91.9 | 172.1 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | R1085 | V1083-R1085 PolarHBondContact O-N 3.4Š| ||
| 1084 | K | 22.1 | Very low | 22.8 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | -69 | 109.6 | 176.6 | -82.2 | 177.2 | 158.3 | 66.6 | 0 | 111.5 | E1082 L1086 | E1082-K1084 HydrophobicContact CG-CG 4.27Å; E1082-K1084 IonicContact OE1-NZ 2.73Å; E1082-K1084 PolarHBondContact OE1-NZ 3.35Å; E1082-K1084 IonicContact OE2-NZ 3.22Å; E1082-K1084 PolarHBondContact OE2-NZ 3.04Å; K1084-L1086 PolarHBondContact O-N 3.18Å | ||
| 1085 | R | 21.7 | Very low | 22.9 | Very low | 246 Ų | 246 | 143.6 Ų | 143.6 | 93% | 0.928 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 120.8 | 165.6 | -89.3 | 179 | 164.4 | 173.7 | -6.9 | 110.6 | V1083 K1087 | V1083-R1085 PolarHBondContact O-N 3.4Å; R1085-K1087 PolarHBondContact O-N 3.38Å |
| 1086 | L | 22.6 | Very low | 22.7 | Very low | 175 Ų | 175 | 145 Ų | 145 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 118.3 | 164.6 | -80.5 | 167.5 | 0 | 0 | 0 | 110.1 | K1084 | K1084-L1086 PolarHBondContact O-N 3.18Š|
| 1087 | K | 21 | Very low | 22.6 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 125.4 | 160.9 | -91 | -172.9 | 170.9 | -174 | 0 | 108.8 | R1085 | R1085-K1087 PolarHBondContact O-N 3.38Š|
| 1088 | L | 22.5 | Very low | 22.4 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -97.9 | 112.2 | 155.2 | -79 | 167.5 | 0 | 0 | 0 | 107.9 | ||||
| 1089 | S | 21.2 | Very low | 22.3 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -107.9 | 112 | 164.5 | 50.8 | 0 | 0 | 0 | 0 | 108.1 | D1091 | S1089-D1091 PolarHBondContact O-N 3.01Š| ||
| 1090 | L | 21.9 | Very low | 22.2 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -80.7 | 104.2 | 159 | -89.9 | 80 | 0 | 0 | 0 | 107.6 | ||||
| 1091 | D | 23.1 | Very low | 22.4 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -118.9 | 118.3 | 153.8 | -89.8 | -53.3 | 0 | 0 | 0 | 107.2 | S1089 N1093 | S1089-D1091 PolarHBondContact O-N 3.01Å; D1091-N1093 PolarHBondContact O-N 2.87Å | ||
| 1092 | N | 22.5 | Very low | 22.4 | Very low | 149 Ų | 149 | 149 Ų | 149 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -78.4 | 101.6 | -177.4 | -84.1 | -31.8 | 0 | 0 | 0 | 110.5 | ||||
| 1093 | N | 22.6 | Very low | 22.4 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -143.7 | 94.3 | 157.9 | -105.3 | -46.4 | 0 | 0 | 0 | 111.4 | D1091 T1095 | D1091-N1093 PolarHBondContact O-N 2.87Å; N1093-T1095 PolarHBondContact O-N 2.66Å | ||
| 1094 | T | 22 | Very low | 22.4 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | trans | -73.2 | 118.5 | 172.9 | 45.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1095 | T | 24.2 | Very low | 22.5 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -139.9 | 121.4 | 150.2 | -66.6 | 0 | 0 | 0 | 0 | 108.4 | N1093 | N1093-T1095 PolarHBondContact O-N 2.66Š| ||
| 1096 | I | 20.6 | Very low | 22.5 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | trans | -89.9 | 118.5 | -178.1 | -62.3 | 169.3 | 0 | 0 | 0 | 108.5 | ||||
| 1097 | Q | 23.3 | Very low | 22.5 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -155.3 | 115 | 150.9 | -118.7 | 170.3 | 20.4 | 0 | 0 | 114.4 | ||||
| 1098 | T | 23.3 | Very low | 22.8 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | 49.1 | 123.1 | 139.4 | 53.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1099 | S | 22.6 | Very low | 22.8 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 66.9 | 142.3 | 149.8 | 56.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1100 | F | 21.4 | Very low | 23.1 | Very low | 207 Ų | 207 | 138.2 Ų | 138.2 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | cis | -111.9 | 159.4 | 21.9 | -93 | -103.1 | 0 | 0 | 0 | 116.3 | ||||
| 1101 | M | 25 | Very low | 23.3 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -84.8 | 145.7 | 178.8 | -84.8 | -178.5 | 157.7 | 0 | 0 | 113.8 | ||||
| 1102 | A | 23 | Very low | 23.3 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | 47.3 | 110.3 | 136.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1103 | A | 21.5 | Very low | 23.4 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | 24 | 113.4 | 123.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1104 | A | 22 | Very low | 23.6 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -169.4 | 91.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1105 | R | 23.8 | Very low | 23.9 | Very low | 242 Ų | 242 | 137.6 Ų | 137.6 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | trans | -154.2 | 134.9 | 161.2 | -75.9 | -155.8 | -179.8 | -172.3 | -0.5 | 109.7 | ||||
| 1106 | T | 22.2 | Very low | 24 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | cis | 60.2 | 142.4 | -8.1 | 51.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 1107 | S | 22.7 | Very low | 24.1 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | cis | -165.5 | -176.7 | -14.8 | 62.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1108 | P | 26.9 | Very low | 24.3 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 62% | 0.617 | 78% | 0.776 | S | S | * | * | cis | -125.4 | 171.7 | -19.5 | 30.7 | -12 | 0 | 0 | 0 | 113 | ||||
| 1109 | P | 23.9 | Very low | 24.3 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -73.9 | 129.4 | 157.5 | 31.5 | -31.9 | 0 | 0 | 0 | 110.3 | ||||
| 1110 | I | 27.5 | Very low | 24.5 | Very low | 155 Ų | 155 | 142 Ų | 142 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | trans | -90.1 | 117.9 | 176.6 | -68.6 | 178.8 | 0 | 0 | 0 | 110.6 | ||||
| 1111 | N | 25.6 | Very low | 24.6 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 39 | 122.2 | 145.9 | -150 | 13 | 0 | 0 | 0 | 120 | ||||
| 1112 | C | 22.1 | Very low | 24.6 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -75 | 130.8 | 166.8 | -68.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1113 | N | 24.6 | Very low | 24.5 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -169.7 | 91.2 | 143.9 | -98.3 | -18.9 | 0 | 0 | 0 | 112.1 | ||||
| 1114 | N | 27.6 | Very low | 24.6 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | S | Bend | -175 | 127.4 | 103.9 | -90.7 | -24.7 | 0 | 0 | 0 | 112.3 | K1116 | N1114-K1116 PolarHBondContact O-N 3.33Š| |
| 1115 | H | 29 | Very low | 24.6 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 17.5 | 94.9 | 156.1 | -58.8 | -81.7 | 0 | 0 | 0 | 117.1 | ||||
| 1116 | K | 25.6 | Very low | 24.5 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | 46 | 105 | 73.3 | -62.7 | -172 | 174.4 | 179.5 | 0 | 113.5 | N1114 | N1114-K1116 PolarHBondContact O-N 3.33Š| |||
| 1117 | N | 22.2 | Very low | 24.5 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -123.1 | 118.2 | 170.3 | -176.1 | 8.3 | 0 | 0 | 0 | 109.1 | ||||
| 1118 | P | 28.5 | Very low | 24.4 | Very low | 102 Ų | 102 | 144.3 Ų | 144.3 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | trans | -127.3 | 120.1 | 171.2 | 34.4 | -18.7 | 0 | 0 | 0 | 113.6 | ||||
| 1119 | N | 23.2 | Very low | 24.1 | Very low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | 48.6 | 115.6 | 154.6 | -60.3 | -15.1 | 0 | 0 | 0 | 120 | ||||
| 1120 | V | 25.4 | Very low | 24 | Very low | 153 Ų | 153 | 148 Ų | 148 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | -167.6 | 138.1 | 103 | 146.7 | 0 | 0 | 0 | 0 | 109 | |||||
| 1121 | G | 24.1 | Very low | 23.8 | Very low | 75 Ų | 75 | 146.1 Ų | 146.1 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | 170.5 | 96.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1122 | H | 24.7 | Very low | 23.7 | Very low | 173 Ų | 173 | 150 Ų | 150 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -104 | 144.6 | -175.3 | -97 | -50.2 | 0 | 0 | 0 | 112.7 | ||||
| 1123 | K | 21.2 | Very low | 23.7 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | trans | 51.4 | 127.5 | 150.1 | -61 | 174.8 | 180 | 177.9 | 0 | 118.3 | ||||
| 1124 | F | 24.8 | Very low | 23.7 | Very low | 217 Ų | 217 | 147.3 Ų | 147.3 | 95% | 0.952 | 77% | 0.771 | S | S | * | * | -155.1 | 170.3 | 119.2 | -112.1 | -73.2 | 0 | 0 | 0 | 110.7 | |||||
| 1125 | H | 21.1 | Very low | 23.8 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | trans | -130.7 | 147.6 | -169.7 | -132 | -31.5 | 0 | 0 | 0 | 110.3 | ||||
| 1126 | S | 21.3 | Very low | 23.9 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 81 | 154.2 | 154.3 | 78.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1127 | V | 22.4 | Very low | 24.2 | Very low | 120 Ų | 120 | 141 Ų | 141 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 75.5 | 81 | 166.6 | -162.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1128 | N | 21.1 | Very low | 24.3 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | 58.6 | 125.4 | 122.2 | -60 | -7.1 | 0 | 0 | 0 | 123.4 | |||||
| 1129 | K | 21.2 | Very low | 24.3 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | 84.3 | 130.2 | 130.1 | -86.3 | -173.1 | 155.1 | -137.9 | 0 | 121.4 | ||||
| 1130 | E | 21.5 | Very low | 24.1 | Very low | 128 Ų | 128 | 142 Ų | 142 | 60% | 0.598 | 74% | 0.738 | S | S | * | * | trans | 78.4 | 90.5 | 139.5 | -70.9 | 179.6 | -135.8 | 0 | 0 | 120.2 | ||||
| 1131 | N | 23.1 | Very low | 24.2 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | 130.3 | 126.6 | 94 | -81.5 | -14.9 | 0 | 0 | 0 | 117.6 | |||||
| 1132 | Y | 22.8 | Very low | 24 | Very low | 223 Ų | 223 | 148.2 Ų | 148.2 | 88% | 0.875 | 73% | 0.73 | S | S | * | * | trans | 36.5 | 116 | 144.9 | -67.8 | -89.2 | 0 | 0 | 0 | 122.2 | ||||
| 1133 | S | 23.1 | Very low | 24.1 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | -173.4 | 153.8 | 117.7 | 128.2 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1134 | S | 24 | Very low | 24.3 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 57% | 0.566 | 71% | 0.712 | S | S | * | * | cis | -168.7 | -178.4 | -16.5 | 44 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1135 | D | 29.3 | Very low | 24.2 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | trans | 73.7 | 140.6 | 156.4 | -56.6 | -55.8 | 0 | 0 | 0 | 118.8 | ||||
| 1136 | N | 31.9 | Very low | 24.3 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 61% | 0.61 | 70% | 0.701 | S | S | * | * | cis | -160.3 | 144.5 | -6.4 | -123.2 | -38.4 | 0 | 0 | 0 | 113.9 | ||||
| 1137 | N | 32.1 | Very low | 24.4 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | trans | 63 | 163.4 | 147.6 | -68.4 | -39.6 | 0 | 0 | 0 | 121.1 | ||||
| 1138 | K | 23.5 | Very low | 24.5 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | cis | 177.4 | 173.3 | -37.2 | -143.2 | 177.6 | -171.6 | 172.8 | 0 | 108.4 | ||||
| 1139 | I | 28 | Very low | 24.5 | Very low | 128 Ų | 128 | 135 Ų | 135 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | trans | 71 | 147.9 | 157.3 | -67.9 | 154.9 | 0 | 0 | 0 | 114.8 | ||||
| 1140 | E | 20.6 | Very low | 24.7 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | cis | 175 | -172.5 | -37.4 | -106.8 | 165.2 | 160.3 | 0 | 0 | 106.3 | ||||
| 1141 | Y | 26 | Very low | 24.7 | Very low | 190 Ų | 190 | 132.1 Ų | 132.1 | 75% | 0.745 | 71% | 0.706 | S | S | * | * | trans | 72.5 | 108.6 | -177.4 | -57.4 | -76 | 0 | 0 | 0 | 113.6 | ||||
| 1142 | E | 21.3 | Very low | 24.7 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | cis | 52.6 | 121.3 | 36 | -52.2 | -166.2 | 140.8 | 0 | 0 | 114.5 | ||||
| 1143 | N | 26 | Very low | 24.7 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 58% | 0.578 | 71% | 0.711 | S | S | * | * | 173.2 | 152.4 | 108.3 | -98.4 | -81.3 | 0 | 0 | 0 | 113.2 | |||||
| 1144 | N | 25.5 | Very low | 24.6 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | trans | 49 | 126.6 | 142.4 | -58.3 | -27.6 | 0 | 0 | 0 | 120.7 | ||||
| 1145 | I | 21.8 | Very low | 24.5 | Very low | 162 Ų | 162 | 134 Ų | 134 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | 68.3 | 117.3 | 62.7 | -61.1 | 169.4 | 0 | 0 | 0 | 112.3 | |||||
| 1146 | G | 23 | Very low | 24.2 | Very low | 66 Ų | 66 | 132.4 Ų | 132.4 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | trans | 99 | 149.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1147 | I | 24.8 | Very low | 23.8 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | cis | -145.6 | 168.5 | 2.4 | -103.2 | 159.2 | 0 | 0 | 0 | 110 | ||||
| 1148 | T | 23.7 | Very low | 23.3 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | -51.5 | 140.8 | -174.6 | 53.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1149 | S | 21.1 | Very low | 23.3 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | 14 | 124.1 | 142.9 | 61.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1150 | N | 24.7 | Very low | 23.1 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -158.7 | 125.4 | 134.3 | -89 | -26.5 | 0 | 0 | 0 | 105.5 | ||||
| 1151 | S | 21.9 | Very low | 23.2 | Very low | 87 Ų | 87 | 131 Ų | 131 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | 77.2 | 132.2 | 55.9 | 86 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1152 | Q | 23.1 | Very low | 23.1 | Very low | 183 Ų | 183 | 129.9 Ų | 129.9 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | 75.9 | 125.5 | 162.3 | -59.7 | -179 | -9.5 | 0 | 0 | 119.2 | ||||
| 1153 | I | 22.5 | Very low | 23.1 | Very low | 147 Ų | 147 | 129 Ų | 129 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | -67.3 | 146.2 | 153.9 | -41.5 | 165.8 | 0 | 0 | 0 | 107.4 | V1155 | I1153-V1155 HydrophobicContact CG2-CG2 3.98Š| ||
| 1154 | P | 22 | Very low | 23 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | -126.8 | 140.7 | 119.6 | 0.5 | 19.8 | 0 | 0 | 0 | 113.1 | |||||
| 1155 | V | 21 | Very low | 23.1 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | -86.9 | 136.9 | 170.6 | 163.3 | 0 | 0 | 0 | 0 | 109 | I1153 | I1153-V1155 HydrophobicContact CG2-CG2 3.98Š| ||
| 1156 | S | 23.2 | Very low | 23.3 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | 72.9 | 168.3 | 163.2 | 79.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1157 | K | 23.9 | Very low | 23.3 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | cis | -159.1 | 176.7 | 23.6 | -150.5 | 156.5 | -164 | 171.6 | 0 | 114.8 | ||||
| 1158 | F | 22.5 | Very low | 23.1 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 74% | 0.737 | 74% | 0.741 | S | S | * | * | trans | 83.2 | 125.3 | 173.2 | -58.3 | -77.9 | 0 | 0 | 0 | 115 | ||||
| 1159 | D | 22.8 | Very low | 23 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | cis | -105.4 | 143.2 | -1.7 | -85.8 | -57.4 | 0 | 0 | 0 | 111.7 | ||||
| 1160 | S | 24.6 | Very low | 23.1 | Very low | 80 Ų | 80 | 137.4 Ų | 137.4 | 56% | 0.559 | 75% | 0.745 | S | S | * | * | 67.5 | 100.1 | 56.4 | 109.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1161 | S | 21.9 | Very low | 22.9 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | 96.3 | 120.4 | 54.7 | 66.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1162 | I | 24.2 | Very low | 22.8 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 86% | 0.862 | 74% | 0.743 | S | S | * | * | trans | -158.1 | 125.6 | 131.3 | -98.9 | 150.6 | 0 | 0 | 0 | 107.8 | ||||
| 1163 | N | 21.5 | Very low | 22.7 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | -98.6 | 150.8 | 162.3 | -77.2 | -36 | 0 | 0 | 0 | 107.6 | ||||
| 1164 | H | 24.4 | Very low | 22.7 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 79% | 0.787 | 73% | 0.728 | S | S | * | * | -176.7 | 150.8 | 122.1 | -110.4 | -56 | 0 | 0 | 0 | 116.5 | |||||
| 1165 | H | 26.7 | Very low | 22.7 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 82% | 0.819 | 71% | 0.71 | S | S | * | * | trans | 71.9 | 126.5 | 162.6 | -67.8 | 47.4 | 0 | 0 | 0 | 117 | ||||
| 1166 | G | 25.4 | Very low | 22.7 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | cis | 168.9 | 169.1 | -10.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1167 | K | 22.6 | Very low | 22.7 | Very low | 200 Ų | 200 | 131.9 Ų | 131.9 | 87% | 0.87 | 68% | 0.682 | S | S | * | * | trans | 38.6 | 138.9 | 146.5 | -65.6 | -168.6 | 174.7 | -177.5 | 0 | 120.4 | ||||
| 1168 | T | 22 | Very low | 22.6 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 66% | 0.663 | 68% | 0.68 | S | S | * | * | cis | -176 | 158.6 | 3.5 | 14.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1169 | L | 20.2 | Very low | 22.5 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | trans | 60.6 | 131.2 | 156.2 | -96.9 | 68.1 | 0 | 0 | 0 | 116.5 | ||||
| 1170 | I | 24 | Very low | 22.4 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | cis | -152.1 | 127.7 | 39.4 | -98.4 | 142.2 | 0 | 0 | 0 | 109.9 | ||||
| 1171 | D | 21.2 | Very low | 22.3 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 66% | 0.658 | 69% | 0.694 | S | S | * | * | 21.1 | 144.7 | 123.4 | -58.1 | 14.1 | 0 | 0 | 0 | 119.4 | |||||
| 1172 | F | 20 | Very low | 22.2 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | cis | -161.3 | 156.9 | -6.4 | -132 | -77.2 | 0 | 0 | 0 | 107.6 | ||||
| 1173 | E | 20.7 | Very low | 22 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | trans | 48.3 | 133.7 | 161.6 | -87.7 | 153.7 | -141.4 | 0 | 0 | 119.6 | ||||
| 1174 | N | 22.1 | Very low | 22 | Very low | 106 Ų | 106 | 131 Ų | 131 | 57% | 0.567 | 69% | 0.686 | S | S | * | * | cis | -165.6 | 172.5 | 38.7 | -153.2 | -18.7 | 0 | 0 | 0 | 112.8 | ||||
| 1175 | F | 22 | Very low | 21.9 | Very low | 98 Ų | 98 | 128 Ų | 128 | 43% | 0.43 | 68% | 0.679 | S | S | . | * | trans | 74.9 | 70.9 | 138.6 | -109.9 | -44.5 | 0 | 0 | 0 | 122.4 | F1259 S1260 M1261 | F1175-F1259 CarbonylContact O-C 3.57Å; F1175-F1259 VanDerWaalsContact O-CA 3.31Å; F1175-F1259 WeakPolarHBondContact O-CA 3.16Å; F1175-F1259 WeakPolarHBondContact O-CB 3.31Å; F1175-F1259 WeakPolarHBondContact O-CD1 3.24Å; F1175-F1259 WeakPolarHBondContact O-CG 3.26Å; F1175-S1260 VanDerWaalsContact O-CA 3.25Å; F1175-S1260 WeakPolarHBondContact O-CA 3.36Å; F1175-S1260 PolarHBondContact O-N 3.41Å; F1175-M1261 HydrophobicContact CD1-CB 3.51Å; F1175-M1261 HydrophobicContact CE1-CB 3.73Å; F1175-M1261 WeakPolarHBondContact CE1-O 3.47Å | ||
| 1176 | T | 21.2 | Very low | 21.7 | Very low | 70 Ų | 70 | 124.4 Ų | 124.4 | 43% | 0.429 | 68% | 0.675 | S | S | . | * | trans | -26.3 | 174.6 | 160.2 | 23.8 | 0 | 0 | 0 | 0 | 122.4 | S1260 M1261 | T1176-S1260 CarbonylContact O-C 3.59Å; T1176-M1261 HydrophobicContact CG2-CE 4.49Å; T1176-M1261 WeakPolarHBondContact O-CA 3.43Å; T1176-M1261 WeakPolarHBondContact O-CB 3.38Å; T1176-M1261 PolarHBondContact O-N 3.37Å; T1176-M1261 VanDerWaalsContact O-N 3.12Å; T1176-M1261 WeakPolarHBondContact OG1-CG 2.96Å; T1176-M1261 PolarHBondContact OG1-SD 3.22Å | ||
| 1177 | Q | 22.1 | Very low | 21.6 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 36% | 0.355 | 67% | 0.672 | S | S | . | * | trans | 74.8 | 164.7 | 173.7 | -89.4 | -176.5 | -0.1 | 0 | 0 | 117.7 | M1261 F1262 | Q1177-M1261 HydrophobicContact CB-CB 4.13Å; Q1177-M1261 HydrophobicContact CB-CG 3.56Å; Q1177-M1261 VanDerWaalsContact CD-CG 3.46Å; Q1177-M1261 HydrophobicContact CG-CE 3.88Å; Q1177-M1261 HydrophobicContact CG-CG 3.54Å; Q1177-F1262 VanDerWaalsContact NE2-CD2 3.31Å | ||
| 1178 | S | 22.3 | Very low | 21.5 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | cis | -124.9 | 177.8 | 15.1 | 70.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1179 | S | 20.6 | Very low | 21.5 | Very low | 72 Ų | 72 | 120.9 Ų | 120.9 | 50% | 0.503 | 65% | 0.653 | S | S | . | * | trans | -159.6 | 150.8 | 172.7 | -71.2 | 0 | 0 | 0 | 0 | 109.4 | K1069 | K1069-S1179 PolarHBondContact NZ-OG 3.23Š| ||
| 1180 | Q | 21.8 | Very low | 21.6 | Very low | 202 Ų | 202 | 117.5 Ų | 117.5 | 94% | 0.944 | 65% | 0.646 | S | S | * | * | trans | 72.9 | 126 | -178.5 | -52.9 | -176.8 | -5.7 | 0 | 0 | 117.5 | ||||
| 1181 | S | 21.2 | Very low | 21.5 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 87% | 0.867 | 64% | 0.639 | S | S | * | * | -148.9 | 157.6 | 123.8 | 68.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 1182 | F | 19.3 | Very low | 21.5 | Very low | 195 Ų | 195 | 116.8 Ų | 116.8 | 86% | 0.855 | 64% | 0.641 | S | S | * | * | trans | -161.8 | 154.6 | -176.4 | -154 | -55 | 0 | 0 | 0 | 105 | ||||
| 1183 | I | 21.2 | Very low | 21.6 | Very low | 111 Ų | 111 | 116.2 Ų | 116.2 | 57% | 0.569 | 65% | 0.645 | S | S | * | * | trans | 76.9 | 110.6 | 171.4 | -47.4 | -179 | 0 | 0 | 0 | 113.1 | ||||
| 1184 | L | 20.8 | Very low | 21.7 | Very low | 147 Ų | 147 | 114.3 Ų | 114.3 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | 76.8 | 132.1 | 69.1 | -117.9 | 170.4 | 0 | 0 | 0 | 115.7 | |||||
| 1185 | T | 23.2 | Very low | 21.7 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 64% | 0.644 | 65% | 0.647 | S | S | * | * | trans | 72.4 | 143.9 | 155.7 | 16.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1186 | S | 21.2 | Very low | 21.9 | Very low | 103 Ų | 103 | 115.5 Ų | 115.5 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | trans | -135.5 | 163.7 | 151.9 | 56.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 1187 | Q | 22.8 | Very low | 22 | Very low | 136 Ų | 136 | 116.1 Ų | 116.1 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | trans | 80.8 | 98.1 | 175.6 | -51.6 | -171.6 | -24.2 | 0 | 0 | 118.9 | T1294 | Q1187-T1294 PolarHBondContact NE2-OG1 3.03Š| ||
| 1188 | L | 20.7 | Very low | 22 | Very low | 75 Ų | 75 | 118.2 Ų | 118.2 | 39% | 0.393 | 67% | 0.669 | S | S | . | * | trans | -149.6 | 84 | 137 | -123.5 | 175.5 | 0 | 0 | 0 | 113.8 | E1839 K1840 | L1188-E1839 WeakPolarHBondContact CB-OE2 3.44Å; L1188-E1839 PolarHBondContact N-OE1 3.36Å; L1188-K1840 WeakPolarHBondContact O-CE 3.32Å | ||
| 1189 | A | 21.9 | Very low | 21.9 | Very low | 91 Ų | 91 | 118 Ų | 118 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | trans | -115.1 | 74.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1190 | A | 23 | Very low | 21.9 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | trans | -141.7 | 101.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K1840 | A1190-K1840 PolarHBondContact O-NZ 3.11Š| ||
| 1191 | I | 22.3 | Very low | 21.9 | Very low | 114 Ų | 114 | 116.6 Ų | 116.6 | 59% | 0.585 | 67% | 0.666 | S | S | * | * | trans | -122.2 | 145.2 | 154.4 | -118.4 | 164.8 | 0 | 0 | 0 | 102.7 | K1840 | I1191-K1840 HydrophobicContact CB-CD 3.74Å; I1191-K1840 HydrophobicContact CD1-CD 4.14Å; I1191-K1840 HydrophobicContact CG1-CD 4.25Å | ||
| 1192 | I | 21.1 | Very low | 21.9 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 70% | 0.703 | 66% | 0.664 | S | S | * | * | -149.4 | 136 | 71.1 | -68.7 | 159.2 | 0 | 0 | 0 | 109.1 | |||||
| 1193 | D | 22.1 | Very low | 21.9 | Very low | 150 Ų | 150 | 117.5 Ų | 117.5 | 80% | 0.802 | 66% | 0.66 | S | S | * | * | S | Bend | -171.6 | 152 | 120.8 | -108.2 | -26.2 | 0 | 0 | 0 | 112 | |||
| 1194 | D | 23.3 | Very low | 22 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 62% | 0.615 | 67% | 0.672 | S | S | * | * | trans | 67.9 | 118.8 | -176.9 | -72.6 | -20.8 | 0 | 0 | 0 | 118.2 | Q2041 | D1194-Q2041 VanDerWaalsContact CG-NE2 3.29Å; D1194-Q2041 PolarHBondContact OD1-NE2 2.91Å; D1194-Q2041 PolarHBondContact OD2-NE2 3.2Å | ||
| 1195 | D | 22.4 | Very low | 22 | Very low | 132 Ų | 132 | 115.9 Ų | 115.9 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | trans | -129.3 | 152 | 173.7 | -165.8 | 23.7 | 0 | 0 | 0 | 112.2 | ||||
| 1196 | Q | 24.9 | Very low | 22 | Very low | 97 Ų | 97 | 118 Ų | 118 | 45% | 0.453 | 68% | 0.68 | S | S | . | * | trans | 76.1 | 110.3 | 160.7 | -51.9 | -129.1 | 3.1 | 0 | 0 | 123.6 | ||||
| 1197 | V | 24.2 | Very low | 21.9 | Very low | 84 Ų | 84 | 118.7 Ų | 118.7 | 51% | 0.509 | 69% | 0.685 | S | S | . | * | 84.5 | 123.8 | 120.6 | 171.1 | 0 | 0 | 0 | 0 | 120.1 | Q2020 | V1197-Q2020 PolarHBondContact O-NE2 3.25Š| |||
| 1198 | V | 21.8 | Very low | 21.9 | Very low | 119 Ų | 119 | 116.4 Ų | 116.4 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | -131.4 | 140.3 | 120.3 | 175.9 | 0 | 0 | 0 | 0 | 108.3 | Q2020 | V1198-Q2020 HydrophobicContact CG2-CG 3.87Š| |||
| 1199 | S | 20.3 | Very low | 21.9 | Very low | 94 Ų | 94 | 117.7 Ų | 117.7 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | trans | -134 | 154.9 | 176.4 | 61.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1200 | T | 21 | Very low | 21.9 | Very low | 118 Ų | 118 | 118.2 Ų | 118.2 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | trans | 172.8 | 143.5 | 161.1 | 20.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1201 | N | 22 | Very low | 21.9 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | cis | -157.1 | 150.1 | 25.6 | -115.1 | -45.7 | 0 | 0 | 0 | 112.6 | ||||
| 1202 | K | 21.3 | Very low | 21.9 | Very low | 191 Ų | 191 | 121.4 Ų | 121.4 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | trans | 57.6 | 122.2 | 145.8 | -66 | -179.2 | -176.9 | -173.2 | 0 | 122.6 | ||||
| 1203 | L | 19.4 | Very low | 22.1 | Very low | 146 Ų | 146 | 117.9 Ų | 117.9 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | -60.9 | 165.5 | 150.8 | -135.4 | 80.7 | 0 | 0 | 0 | 111.4 | ||||
| 1204 | P | 22.6 | Very low | 22 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | -139 | 165.2 | 81 | 38.8 | -24.6 | 0 | 0 | 0 | 116.1 | |||||
| 1205 | S | 19.9 | Very low | 22.1 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | -85.3 | 152.1 | 179.7 | 52.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1206 | T | 22.9 | Very low | 22.2 | Very low | 149 Ų | 149 | 121.6 Ų | 121.6 | 91% | 0.914 | 74% | 0.737 | S | S | * | * | trans | -147.7 | 149.8 | 137.1 | 35.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1207 | S | 20.5 | Very low | 22.2 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -99 | 162.9 | 177.9 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1208 | A | 21.9 | Very low | 22.3 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | 161.8 | 131.5 | 121.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1209 | S | 22 | Very low | 22.5 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 31.3 | 108 | 142.9 | 61.8 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1210 | S | 21.5 | Very low | 22.7 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | 16.7 | 135.3 | 117.8 | 60.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1211 | T | 22.9 | Very low | 22.8 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | -173.8 | 164.6 | 104.7 | 22 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1212 | S | 22.7 | Very low | 23 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -63.8 | 164.6 | 172.8 | 49.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1213 | G | 24.5 | Very low | 23.1 | Very low | 64 Ų | 64 | 127.5 Ų | 127.5 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | cis | 130.4 | 150.8 | 3.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1214 | F | 21 | Very low | 23.5 | Very low | 212 Ų | 212 | 125.9 Ų | 125.9 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | trans | -149.9 | 120.9 | 174.6 | -106.1 | -82.6 | 0 | 0 | 0 | 112.8 | ||||
| 1215 | N | 24 | Very low | 23.6 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | -104.1 | -176.9 | 149.9 | -86.9 | -54.4 | 0 | 0 | 0 | 106.5 | ||||
| 1216 | V | 25.5 | Very low | 23.6 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | -176.2 | 142.3 | 51.6 | 171.7 | 0 | 0 | 0 | 0 | 107.9 | S1218 | V1216-S1218 WeakPolarHBondContact CG1-OG 3.14Š| |||
| 1217 | K | 23.9 | Very low | 23.4 | Very low | 197 Ų | 197 | 125.6 Ų | 125.6 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | 175.6 | 106.9 | 129.9 | -95.7 | 167.8 | -173 | -179 | 0 | 109.3 | |||||
| 1218 | S | 25.9 | Very low | 23.4 | Very low | 84 Ų | 84 | 128.2 Ų | 128.2 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | cis | 71.2 | 120.7 | 36.2 | 92.6 | 0 | 0 | 0 | 0 | 114.8 | V1216 | V1216-S1218 WeakPolarHBondContact CG1-OG 3.14Š| ||
| 1219 | N | 26.3 | Very low | 23.3 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | trans | 173.5 | 148.8 | 146.8 | -96.9 | 3.3 | 0 | 0 | 0 | 109.3 | ||||
| 1220 | I | 25.6 | Very low | 23.3 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 68% | 0.677 | 74% | 0.741 | S | S | * | * | cis | -170.4 | 154.1 | -14.1 | -154 | 177.9 | 0 | 0 | 0 | 105.6 | ||||
| 1221 | L | 23.5 | Very low | 23.4 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | cis | -115.7 | -156.6 | 3.7 | -60.8 | 145.8 | 0 | 0 | 0 | 108 | ||||
| 1222 | H | 26.3 | Very low | 23.4 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | cis | -165.6 | 164.8 | -20.3 | -118.4 | 3 | 0 | 0 | 0 | 105.9 | ||||
| 1223 | L | 22.4 | Very low | 23.6 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 62% | 0.623 | 74% | 0.739 | S | S | * | * | cis | -153.6 | 128.6 | -10.8 | -141.3 | 167.1 | 0 | 0 | 0 | 107.3 | ||||
| 1224 | P | 27.9 | Very low | 23.5 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -101.5 | 164.4 | 168.4 | 37.9 | -33.3 | 0 | 0 | 0 | 111.8 | ||||
| 1225 | I | 24.3 | Very low | 23.5 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 86% | 0.862 | 73% | 0.733 | S | S | * | * | trans | -169.1 | 160.5 | 147.6 | -103.8 | 151.6 | 0 | 0 | 0 | 110.1 | ||||
| 1226 | S | 19.8 | Very low | 23.4 | Very low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | trans | -113.5 | -178.7 | -172.9 | 57.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1227 | C | 20 | Very low | 23.2 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 69% | 0.689 | 73% | 0.734 | S | S | * | * | trans | 98.9 | 126.7 | 158.2 | -57.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1228 | E | 19.4 | Very low | 23.1 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | trans | 61.8 | 110.1 | 132.8 | -62.5 | 179.6 | 146.5 | 0 | 0 | 121.8 | ||||
| 1229 | S | 20.7 | Very low | 22.9 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | 87.5 | 125.2 | 126.4 | 75.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1230 | S | 20.9 | Very low | 22.9 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 79.7 | 143.4 | 138 | 70.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1231 | S | 23.5 | Very low | 22.9 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | 62.4 | 94.9 | 156.7 | 40.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1232 | M | 22.4 | Very low | 23 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | -37.8 | 157.9 | 124.6 | -87.5 | -172.6 | 176.4 | 0 | 0 | 112.8 | |||||
| 1233 | P | 27.5 | Very low | 22.9 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | -157.2 | -177.3 | 53.8 | 37.4 | -12.5 | 0 | 0 | 0 | 120.4 | |||||
| 1234 | F | 23.3 | Very low | 22.9 | Very low | 197 Ų | 197 | 123.7 Ų | 123.7 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | trans | 85.3 | 165.6 | 158.6 | -71.4 | -59.8 | 0 | 0 | 0 | 121 | ||||
| 1235 | S | 20.3 | Very low | 22.6 | Very low | 85 Ų | 85 | 126 Ų | 126 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | trans | -159.5 | 164.9 | -141.2 | 57.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1236 | T | 21.3 | Very low | 22.4 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | 59.5 | 133.8 | 159.6 | 53.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 1237 | T | 22 | Very low | 22.5 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | cis | -152.7 | -146.9 | -5.7 | 20.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1238 | T | 22.1 | Very low | 22.6 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -165.5 | 141.1 | 8.8 | -30.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1239 | T | 21.8 | Very low | 22.7 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | trans | 44.7 | 136.6 | 155 | 52.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1240 | T | 25.7 | Very low | 22.7 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | -167.4 | 158 | 71.9 | 36 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1241 | T | 26.3 | Very low | 22.7 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | -154.1 | 141.4 | 172.4 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1242 | P | 25.3 | Very low | 22.7 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -129.2 | 125.7 | 153.1 | 14.2 | 8.1 | 0 | 0 | 0 | 111.9 | ||||
| 1243 | S | 23.2 | Very low | 22.7 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | 74.2 | 140.1 | 72.9 | 75.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1244 | S | 22.5 | Very low | 22.5 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | cis | -177.2 | -171.3 | -10.8 | 52.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1245 | L | 22 | Very low | 22.6 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | trans | 81.8 | 147.9 | 172.5 | -62.2 | 114.8 | 0 | 0 | 0 | 119.4 | ||||
| 1246 | S | 21.2 | Very low | 22.7 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | cis | -172.5 | 112.7 | -30.4 | 54.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1247 | V | 22.1 | Very low | 22.7 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | trans | 53.4 | 117.5 | 130.6 | -176.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1248 | N | 20.5 | Very low | 22.7 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | -178.2 | 137.5 | 118.5 | -106.5 | -64.4 | 0 | 0 | 0 | 115.3 | |||||
| 1249 | K | 22.2 | Very low | 22.6 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | 23.1 | 145.8 | 152.1 | -58.9 | -176.5 | -179.4 | -174.8 | 0 | 121.2 | ||||
| 1250 | T | 19.8 | Very low | 22.6 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | cis | -162.1 | 161.4 | 28.7 | -18.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1251 | C | 21.8 | Very low | 22.4 | Very low | 88 Ų | 88 | 125 Ų | 125 | 60% | 0.595 | 70% | 0.704 | S | S | * | * | trans | 8 | 123.8 | 160.1 | -61.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1252 | E | 23 | Very low | 22.1 | Very low | 150 Ų | 150 | 126 Ų | 126 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | 96.5 | 154.2 | 91.3 | -77.3 | 168.9 | -143.8 | 0 | 0 | 112.2 | |||||
| 1253 | F | 22.3 | Very low | 21.9 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | cis | -161.1 | 171.4 | -7.7 | -111.3 | -37.3 | 0 | 0 | 0 | 106.4 | ||||
| 1254 | N | 24.5 | Very low | 21.9 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 66% | 0.663 | 70% | 0.702 | S | S | * | * | cis | -151.8 | 171.9 | 4.5 | -137.3 | -32.6 | 0 | 0 | 0 | 112.7 | ||||
| 1255 | D | 24.1 | Very low | 22 | Very low | 135 Ų | 135 | 130 Ų | 130 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | -143.9 | 177.4 | -164.2 | -105.7 | -49 | 0 | 0 | 0 | 110.4 | ||||
| 1256 | T | 23.7 | Very low | 21.8 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | cis | -143.2 | -168.8 | -44.8 | -16.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1257 | L | 20.6 | Very low | 21.8 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 87% | 0.869 | 69% | 0.692 | S | S | * | * | trans | -87.8 | 163.1 | 179.5 | -93.9 | 164.4 | 0 | 0 | 0 | 115.2 | ||||
| 1258 | T | 21.2 | Very low | 21.8 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | trans | -72.1 | 144.9 | -177.6 | 51.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1259 | F | 21.4 | Very low | 21.9 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | trans | -166.8 | 124.4 | 132 | -120.3 | -145.8 | 0 | 0 | 0 | 110.3 | F1175 | F1175-F1259 CarbonylContact O-C 3.57Å; F1175-F1259 VanDerWaalsContact O-CA 3.31Å; F1175-F1259 WeakPolarHBondContact O-CA 3.16Å; F1175-F1259 WeakPolarHBondContact O-CB 3.31Å; F1175-F1259 WeakPolarHBondContact O-CD1 3.24Å; F1175-F1259 WeakPolarHBondContact O-CG 3.26Å | ||
| 1260 | S | 21.6 | Very low | 21.9 | Very low | 91 Ų | 91 | 112.7 Ų | 112.7 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -158.8 | 144.3 | 163.1 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | F1175 T1176 | F1175-S1260 VanDerWaalsContact O-CA 3.25Å; F1175-S1260 WeakPolarHBondContact O-CA 3.36Å; F1175-S1260 PolarHBondContact O-N 3.41Å; T1176-S1260 CarbonylContact O-C 3.59Å | ||
| 1261 | M | 21.6 | Very low | 22.1 | Very low | 66 Ų | 66 | 107.9 Ų | 107.9 | 33% | 0.325 | 58% | 0.582 | S | S | . | * | trans | -118.2 | 143.4 | -164.7 | -156.2 | -163 | -160.5 | 0 | 0 | 113.3 | F1175 T1176 Q1177 E1263 | F1175-M1261 HydrophobicContact CD1-CB 3.51Å; F1175-M1261 HydrophobicContact CE1-CB 3.73Å; F1175-M1261 WeakPolarHBondContact CE1-O 3.47Å; T1176-M1261 HydrophobicContact CG2-CE 4.49Å; T1176-M1261 WeakPolarHBondContact O-CA 3.43Å; T1176-M1261 WeakPolarHBondContact O-CB 3.38Å; T1176-M1261 PolarHBondContact O-N 3.37Å; T1176-M1261 VanDerWaalsContact O-N 3.12Å; T1176-M1261 WeakPolarHBondContact OG1-CG 2.96Å; T1176-M1261 PolarHBondContact OG1-SD 3.22Å; Q1177-M1261 HydrophobicContact CB-CB 4.13Å; Q1177-M1261 HydrophobicContact CB-CG 3.56Å; Q1177-M1261 VanDerWaalsContact CD-CG 3.46Å; Q1177-M1261 HydrophobicContact CG-CE 3.88Å; Q1177-M1261 HydrophobicContact CG-CG 3.54Å; M1261-E1263 PolarHBondContact O-N 2.77Å | ||
| 1262 | F | 20.6 | Very low | 22.3 | Very low | 158 Ų | 158 | 106.6 Ų | 106.6 | 69% | 0.693 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 55.5 | 49.6 | 155.4 | -96.5 | -44.3 | 0 | 0 | 0 | 117.6 | Q1177 | Q1177-F1262 VanDerWaalsContact NE2-CD2 3.31Š|
| 1263 | E | 20.9 | Very low | 22.3 | Very low | 183 Ų | 183 | 100.3 Ų | 100.3 | 86% | 0.855 | 54% | 0.544 | S | S | * | . | trans | -152.7 | 164.1 | 152.7 | -130.7 | 171.7 | -146.4 | 0 | 0 | 114.4 | M1261 | M1261-E1263 PolarHBondContact O-N 2.77Š| ||
| 1264 | S | 23.1 | Very low | 22.4 | Very low | 108 Ų | 108 | 96 Ų | 96 | 76% | 0.755 | 53% | 0.527 | S | S | * | . | trans | 65.6 | 139.6 | -174.6 | 78.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1265 | S | 23.6 | Very low | 22.3 | Very low | 112 Ų | 112 | 93.3 Ų | 93.3 | 78% | 0.783 | 51% | 0.512 | S | S | * | . | S | Bend | cis | -135 | 90.5 | 7.3 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1266 | F | 18.7 | Very low | 22.2 | Very low | 142 Ų | 142 | 92.6 Ų | 92.6 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -97.3 | -166.2 | 130.2 | -126.5 | -95 | 0 | 0 | 0 | 107 | ||
| 1267 | T | 21.2 | Very low | 22.1 | Very low | 88 Ų | 88 | 91.7 Ų | 91.7 | 54% | 0.54 | 51% | 0.507 | S | S | . | . | trans | 67.9 | 144.9 | 172.3 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1268 | V | 21.4 | Very low | 22.3 | Very low | 0 Ų | 0 | 89.8 Ų | 89.8 | 0% | 0 | 50% | 0.503 | C | S | . | . | cis | 46.1 | 82 | 3.5 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | T1500 N1506 T1507 G1508 Y1510 L1851 | V1268-T1500 HydrophobicContact CG1-CG2 4.33Å; V1268-T1500 HydrophobicContact CG2-CG2 4.41Å; V1268-N1506 VanDerWaalsContact CG2-CA 3.45Å; V1268-N1506 HydrophobicContact CG2-CB 3.61Å; V1268-N1506 WeakPolarHBondContact CG2-OD1 3.46Å; V1268-T1507 VanDerWaalsContact CG2-N 3.34Å; V1268-G1508 VanDerWaalsContact CG2-N 3.25Å; V1268-Y1510 PolarHBondContact O-OH 2.86Å; V1268-L1851 HydrophobicContact CG1-CD2 3.84Å | ||
| 1269 | S | 21.7 | Very low | 22.3 | Very low | 28 Ų | 28 | 90.8 Ų | 90.8 | 20% | 0.196 | 50% | 0.504 | C | S | . | . | cis | -176.6 | 167.6 | 29.4 | -3.7 | 0 | 0 | 0 | 0 | 124.9 | G1508 Y1510 | S1269-G1508 CarbonylContact C-O 3.53Å; S1269-G1508 WeakPolarHBondContact CA-O 3.32Å; S1269-Y1510 WeakPolarHBondContact O-CD2 3.13Å; S1269-Y1510 VanDerWaalsContact O-CE2 3.24Å; S1269-Y1510 WeakPolarHBondContact O-CE2 3.47Å; S1269-Y1510 WeakPolarHBondContact OG-CD1 3.1Å; S1269-Y1510 WeakPolarHBondContact OG-CD2 3.2Å; S1269-Y1510 WeakPolarHBondContact OG-CE1 3.31Å; S1269-Y1510 VanDerWaalsContact OG-CZ 3.3Å | ||
| 1270 | N | 23.4 | Very low | 22.5 | Very low | 79 Ų | 79 | 90.5 Ų | 90.5 | 42% | 0.422 | 51% | 0.508 | S | S | . | . | B | Isolated β-bridge | trans | -62.7 | -165.1 | 167.1 | -48.4 | -12.8 | 0 | 0 | 0 | 114.1 | G1508 T1509 Y1510 | N1270-G1508 PolarHBondContact N-O 3.11Å; N1270-G1508 PolarHBondContact OD1-O 3.25Å; N1270-T1509 HydrophobicContact CB-CG2 4.5Å; N1270-T1509 VanDerWaalsContact ND2-CG2 3.26Å; N1270-T1509 WeakPolarHBondContact ND2-CG2 3.3Å; N1270-Y1510 WeakPolarHBondContact O-CB 3.42Å; N1270-Y1510 WeakPolarHBondContact O-CD2 3.41Å; N1270-Y1510 PolarHBondContact O-N 3.24Å |
| 1271 | N | 24.6 | Very low | 22.5 | Very low | 9 Ų | 9 | 92.1 Ų | 92.1 | 5% | 0.048 | 51% | 0.51 | C | S | . | . | -172.8 | 80.8 | 59.2 | -137.8 | -0 | 0 | 0 | 0 | 119.8 | T1472 N1473 S1474 Y1510 Y1511 | N1271-T1472 HydrophobicContact CB-CG2 4.34Å; N1271-T1472 WeakPolarHBondContact ND2-CG2 3.25Å; N1271-T1472 CarbonylContact O-C 3.57Å; N1271-T1472 WeakPolarHBondContact O-CA 3.1Å; N1271-T1472 WeakPolarHBondContact O-CB 3.3Å; N1271-N1473 PolarHBondContact N-O 3.05Å; N1271-N1473 CarbonylContact O-C 3.45Å; N1271-N1473 WeakPolarHBondContact O-CA 3.36Å; N1271-N1473 PolarHBondContact O-N 3.45Å; N1271-S1474 VanDerWaalsContact C-OG 3.29Å; N1271-S1474 WeakPolarHBondContact CA-OG 3.45Å; N1271-S1474 VanDerWaalsContact N-CB 3.33Å; N1271-S1474 PolarHBondContact N-OG 3.29Å; N1271-S1474 PolarHBondContact O-N 3.16Å; N1271-Y1510 WeakPolarHBondContact CB-O 3.34Å; N1271-Y1510 PolarHBondContact ND2-O 3.36Å; N1271-Y1511 WeakPolarHBondContact ND2-CD1 3.12Å; N1271-Y1511 WeakPolarHBondContact ND2-CE1 3.37Å | |||
| 1272 | T | 24.2 | Very low | 22.7 | Very low | 61 Ų | 61 | 91.5 Ų | 91.5 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | B | Isolated β-bridge | trans | 60.4 | 162.3 | 151.1 | 67.4 | 0 | 0 | 0 | 0 | 121.4 | T1472 S1474 D1475 | T1272-T1472 PolarHBondContact OG1-OG1 2.94Å; T1272-S1474 VanDerWaalsContact N-N 3.17Å; T1272-S1474 PolarHBondContact N-OG 3.23Å; T1272-S1474 CarbonylContact O-C 3.47Å; T1272-S1474 PolarHBondContact O-N 2.77Å; T1272-D1475 PolarHBondContact O-N 3.06Å; T1272-D1475 VanDerWaalsContact O-N 3.17Å |
| 1273 | S | 23.9 | Very low | 22.8 | Very low | 17 Ų | 17 | 88 Ų | 88 | 12% | 0.119 | 50% | 0.496 | C | S | . | . | trans | 73.6 | 141.5 | 161.3 | 75.6 | 0 | 0 | 0 | 0 | 117.5 | D1475 S1654 | S1273-D1475 VanDerWaalsContact C-OD2 3.27Å; S1273-D1475 WeakPolarHBondContact CA-OD2 3.43Å; S1273-D1475 PolarHBondContact N-OD1 2.72Å; S1273-D1475 PolarHBondContact N-OD2 2.79Å; S1273-D1475 CarbonylContact O-C 3.46Å; S1273-D1475 VanDerWaalsContact O-CA 3.29Å; S1273-D1475 WeakPolarHBondContact O-CA 3.37Å; S1273-D1475 VanDerWaalsContact O-CB 3.24Å; S1273-D1475 WeakPolarHBondContact O-CB 3.27Å; S1273-D1475 PolarHBondContact O-N 3.49Å; S1273-S1654 WeakPolarHBondContact OG-CB 3.37Å | ||
| 1274 | I | 24.1 | Very low | 23 | Very low | 69 Ų | 69 | 85 Ų | 85 | 35% | 0.354 | 49% | 0.487 | S | S | . | . | cis | -125.4 | 123.7 | 30.2 | -85.7 | 87.1 | 0 | 0 | 0 | 117.5 | D1475 N1478 S1654 | I1274-D1475 PolarHBondContact N-OD2 3.27Å; I1274-N1478 WeakPolarHBondContact O-CB 3.3Å; I1274-N1478 PolarHBondContact O-ND2 2.68Å; I1274-S1654 WeakPolarHBondContact CG1-O 3.35Å | ||
| 1275 | I | 23.8 | Very low | 23 | Very low | 69 Ų | 69 | 85.1 Ų | 85.1 | 35% | 0.354 | 48% | 0.482 | S | S | . | . | 33.9 | 141.5 | 126.9 | -18.6 | 167.7 | 0 | 0 | 0 | 120 | T1277 N1478 | I1275-T1277 HydrophobicContact CG2-CG2 4.05Å; I1275-N1478 PolarHBondContact O-ND2 3.37Å | |||
| 1276 | T | 21.8 | Very low | 23 | Very low | 120 Ų | 120 | 85.5 Ų | 85.5 | 74% | 0.736 | 48% | 0.476 | S | S | * | . | 178 | 147.6 | 87.9 | 38.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1277 | T | 21.6 | Very low | 23.1 | Very low | 109 Ų | 109 | 81 Ų | 81 | 67% | 0.669 | 47% | 0.469 | S | S | * | . | cis | -165.5 | 142.8 | -17.9 | 16.5 | 0 | 0 | 0 | 0 | 109.2 | I1275 | I1275-T1277 HydrophobicContact CG2-CG2 4.05Š| ||
| 1278 | T | 23.1 | Very low | 23.2 | Very low | 126 Ų | 126 | 83.9 Ų | 83.9 | 77% | 0.773 | 48% | 0.481 | S | S | * | . | 179.5 | 118.9 | 122.8 | 23.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1279 | N | 22.1 | Very low | 23.2 | Very low | 138 Ų | 138 | 91 Ų | 91 | 74% | 0.738 | 52% | 0.517 | S | S | * | . | trans | 62.3 | 123.4 | 141.9 | -63.2 | 1.5 | 0 | 0 | 0 | 124.2 | ||||
| 1280 | N | 25.1 | Very low | 23.3 | Very low | 127 Ų | 127 | 93.1 Ų | 93.1 | 68% | 0.679 | 53% | 0.531 | S | S | * | . | trans | 99.4 | 76.3 | 134.5 | -65.3 | -8.1 | 0 | 0 | 0 | 122.7 | ||||
| 1281 | N | 22.8 | Very low | 23.2 | Very low | 126 Ų | 126 | 94.9 Ų | 94.9 | 67% | 0.674 | 54% | 0.54 | S | S | * | . | 72.3 | 146.3 | 107.8 | -67.3 | -23.2 | 0 | 0 | 0 | 123.9 | |||||
| 1282 | N | 25.4 | Very low | 23 | Very low | 52 Ų | 52 | 98.8 Ų | 98.8 | 28% | 0.278 | 56% | 0.561 | S | S | . | * | trans | 87.2 | 59 | 153.5 | -75.4 | 20.6 | 0 | 0 | 0 | 119.7 | Q676 K684 | Q676-N1282 PolarHBondContact OE1-ND2 3.27Å; K684-N1282 WeakPolarHBondContact CE-OD1 3.4Å; K684-N1282 PolarHBondContact NZ-OD1 2.61Å | ||
| 1283 | D | 23 | Very low | 22.9 | Very low | 84 Ų | 84 | 103.7 Ų | 103.7 | 45% | 0.449 | 58% | 0.581 | S | S | . | * | 25.4 | 121.1 | 104.8 | -53.5 | -9.9 | 0 | 0 | 0 | 119.2 | R1662 | D1283-R1662 IonicContact OD1-CZ 2.87Å; D1283-R1662 IonicContact OD1-NE 2.73Å; D1283-R1662 IonicContact OD1-NH2 2.71Å; D1283-R1662 PolarHBondContact OD1-NH2 2.71Å; D1283-R1662 IonicContact OD2-CZ 3.91Å; D1283-R1662 IonicContact OD2-NE 2.7Å; D1283-R1662 PolarHBondContact OD2-NE 2.99Å; D1283-R1662 IonicContact OD2-NH2 3.23Å; D1283-R1662 PolarHBondContact OD2-NH2 3.31Å | |||
| 1284 | N | 24.4 | Very low | 22.8 | Very low | 122 Ų | 122 | 108 Ų | 108 | 65% | 0.652 | 61% | 0.607 | S | S | * | * | trans | -158.7 | 88.4 | 133.2 | -121.1 | -28.8 | 0 | 0 | 0 | 111.7 | ||||
| 1285 | T | 22.9 | Very low | 22.8 | Very low | 109 Ų | 109 | 109 Ų | 109 | 67% | 0.669 | 62% | 0.616 | S | S | * | * | trans | -138.5 | 107.7 | 173.4 | 43 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1286 | N | 23.1 | Very low | 22.7 | Very low | 121 Ų | 121 | 115.6 Ų | 115.6 | 65% | 0.647 | 65% | 0.646 | S | S | * | * | trans | -160 | 92.4 | 165.5 | -111.1 | -18.4 | 0 | 0 | 0 | 108.9 | R1662 | N1286-R1662 PolarHBondContact ND2-O 2.82Š| ||
| 1287 | G | 22.4 | Very low | 22.7 | Very low | 47 Ų | 47 | 115.3 Ų | 115.3 | 49% | 0.485 | 64% | 0.644 | S | S | . | * | trans | 172.9 | 44.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1288 | L | 21.9 | Very low | 22.7 | Very low | 149 Ų | 149 | 118 Ų | 118 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | trans | -179.7 | 99.7 | 162.7 | -105.3 | 160.4 | 0 | 0 | 0 | 111.4 | ||||
| 1289 | I | 22.7 | Very low | 22.7 | Very low | 150 Ų | 150 | 121.9 Ų | 121.9 | 77% | 0.769 | 66% | 0.659 | S | S | * | * | trans | -127.8 | 104 | 156.9 | -66.2 | -174 | 0 | 0 | 0 | 109.5 | ||||
| 1290 | C | 23.7 | Very low | 22.7 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 48% | 0.48 | 66% | 0.663 | S | S | . | * | trans | 35.8 | 98.8 | 153.9 | -63.2 | 0 | 0 | 0 | 0 | 119.8 | I1292 | C1290-I1292 HydrophobicContact CB-CD1 4.34Å; C1290-I1292 HydrophobicContact CB-CG1 4.21Å; C1290-I1292 PolarHBondContact O-N 3.22Å | ||
| 1291 | D | 20.1 | Very low | 22.4 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | trans | -63.9 | 79.3 | 145.4 | -101.9 | -73 | 0 | 0 | 0 | 110.9 | R737 | R737-D1291 IonicContact CZ-OD1 3.07Å; R737-D1291 IonicContact CZ-OD2 2.65Å; R737-D1291 IonicContact NH1-OD1 3.88Å; R737-D1291 PolarHBondContact NH1-OD1 3.31Å; R737-D1291 IonicContact NH1-OD2 2.68Å; R737-D1291 PolarHBondContact NH1-OD2 3.25Å; R737-D1291 IonicContact NH2-OD2 3.17Å; R737-D1291 PolarHBondContact NH2-OD2 3.32Å | ||
| 1292 | I | 21.2 | Very low | 22.5 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 47% | 0.472 | 65% | 0.651 | S | S | . | * | trans | -140.9 | 95.3 | 171.9 | -58 | 178.2 | 0 | 0 | 0 | 110.7 | C1290 | C1290-I1292 HydrophobicContact CB-CD1 4.34Å; C1290-I1292 HydrophobicContact CB-CG1 4.21Å; C1290-I1292 PolarHBondContact O-N 3.22Å | ||
| 1293 | M | 23 | Very low | 22.3 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 81% | 0.808 | 68% | 0.679 | S | S | * | * | trans | -154.5 | 111.1 | 142.6 | -84.1 | -141.6 | 179.7 | 0 | 0 | 109.9 | ||||
| 1294 | T | 21.5 | Very low | 22.4 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | trans | -102.6 | 82.1 | 168.4 | 43.4 | 0 | 0 | 0 | 0 | 109.4 | Q1187 | Q1187-T1294 PolarHBondContact NE2-OG1 3.03Š| ||
| 1295 | T | 23.8 | Very low | 22.3 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 55% | 0.546 | 69% | 0.694 | S | S | . | * | trans | -133.1 | 107.5 | 179 | 34.3 | 0 | 0 | 0 | 0 | 109.9 | T1297 | T1295-T1297 PolarHBondContact O-N 3.22Š| ||
| 1296 | E | 21.3 | Very low | 22.2 | Very low | 208 Ų | 208 | 133 Ų | 133 | 97% | 0.972 | 70% | 0.697 | S | S | * | * | trans | -79.3 | 55.1 | -178.2 | -69.8 | -167.7 | 118.3 | 0 | 0 | 113.2 | ||||
| 1297 | T | 21.3 | Very low | 22.2 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | trans | -143.7 | 138.5 | 171.9 | 44.6 | 0 | 0 | 0 | 0 | 109.9 | T1295 | T1295-T1297 PolarHBondContact O-N 3.22Š| ||
| 1298 | L | 22.2 | Very low | 22.3 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 86 | 50.5 | -174.1 | -55.1 | 171.1 | 0 | 0 | 0 | 117.7 | ||
| 1299 | K | 22.9 | Very low | 22.4 | Very low | 208 Ų | 208 | 140.8 Ų | 140.8 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | trans | -139 | 55 | 157.6 | -79.9 | -163.6 | 173.7 | 174.3 | 0 | 114.2 | ||||
| 1300 | E | 21.2 | Very low | 22.4 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -137.3 | 62.8 | 162.8 | -75.4 | -163.5 | 139.8 | 0 | 0 | 111.3 | ||
| 1301 | Q | 20.8 | Very low | 22.3 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 47% | 0.467 | 75% | 0.749 | S | S | . | * | trans | -158.9 | 159 | 160.2 | -112.7 | 172.9 | 62 | 0 | 0 | 109.9 | ||||
| 1302 | Y | 24.9 | Very low | 22.5 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | trans | 64.1 | 71.4 | -177.5 | -64.7 | -73.2 | 0 | 0 | 0 | 117.6 | Q1607 | Y1302-Q1607 PolarHBondContact OH-NE2 2.97Š| ||
| 1303 | D | 20.2 | Very low | 22.6 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -91.1 | 108.5 | 134.6 | -131.5 | -25.2 | 0 | 0 | 0 | 106.2 | ||||
| 1304 | D | 24.5 | Very low | 22.6 | Very low | 138 Ų | 138 | 149 Ų | 149 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -154.4 | 86.8 | 169.6 | -143.5 | -16.5 | 0 | 0 | 0 | 112.1 | ||||
| 1305 | S | 21.9 | Very low | 22.7 | Very low | 98 Ų | 98 | 151.8 Ų | 151.8 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -106.5 | 60.8 | -169 | 48.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1306 | Q | 22.5 | Very low | 22.6 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -148.1 | 26 | -175.9 | -136.9 | 145.6 | 105.8 | 0 | 0 | 120.2 | ||||
| 1307 | I | 23 | Very low | 22.6 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 89% | 0.892 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -121.6 | 61 | 164.6 | -45.3 | -177 | 0 | 0 | 0 | 112.3 | ||
| 1308 | L | 24.6 | Very low | 22.6 | Very low | 171 Ų | 171 | 152.7 Ų | 152.7 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -153.3 | 35.4 | 151.3 | -153.7 | 73 | 0 | 0 | 0 | 112.7 | ||
| 1309 | N | 23.2 | Very low | 22.6 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -128.8 | 76.3 | 178.3 | -90.8 | -35.1 | 0 | 0 | 0 | 110.7 | ||||
| 1310 | N | 23.4 | Very low | 22.5 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | trans | -176.4 | 70.6 | 149.2 | -97 | -36.7 | 0 | 0 | 0 | 111.6 | ||||
| 1311 | L | 21.8 | Very low | 22.5 | Very low | 158 Ų | 158 | 145 Ų | 145 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -143.1 | 120.4 | 160 | -131.2 | 163.6 | 0 | 0 | 0 | 107.9 | ||
| 1312 | M | 24 | Very low | 22.5 | Very low | 160 Ų | 160 | 148.2 Ų | 148.2 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | trans | 65.1 | 92.8 | -174.3 | -59.6 | -59.8 | -177.4 | 0 | 0 | 117.4 | ||||
| 1313 | M | 22.9 | Very low | 22.3 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 95% | 0.946 | 77% | 0.773 | S | S | * | * | trans | -129.5 | 89.7 | 146.8 | -123 | -57.6 | -172.7 | 0 | 0 | 109.5 | ||||
| 1314 | S | 22.7 | Very low | 22.3 | Very low | 88 Ų | 88 | 144 Ų | 144 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | trans | 177.4 | 123.1 | -176.2 | 145.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 1315 | Q | 22.7 | Very low | 22.1 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | cis | -155.1 | 163.9 | 0.5 | -83.6 | -179.9 | -7.9 | 0 | 0 | 106.1 | ||||
| 1316 | I | 22.4 | Very low | 22 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 67% | 0.672 | 77% | 0.765 | S | S | * | * | cis | -155.5 | 167.9 | -11.7 | -110.5 | 164.9 | 0 | 0 | 0 | 107.7 | ||||
| 1317 | N | 20.9 | Very low | 21.9 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 55% | 0.551 | 76% | 0.764 | S | S | * | * | trans | -53.3 | 164.7 | -178.4 | -42.5 | 0.3 | 0 | 0 | 0 | 117 | D1319 | N1317-D1319 VanDerWaalsContact CB-CG 3.45Å; N1317-D1319 WeakPolarHBondContact CB-OD1 3.17Å; N1317-D1319 WeakPolarHBondContact CB-OD2 3.39Å; N1317-D1319 PolarHBondContact ND2-OD1 3.28Å; N1317-D1319 PolarHBondContact ND2-OD2 2.95Å | ||
| 1318 | F | 22 | Very low | 21.9 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | -159.8 | 97.6 | 101.2 | -99.4 | -80.9 | 0 | 0 | 0 | 105.6 | |||||
| 1319 | D | 21.6 | Very low | 21.7 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 56% | 0.561 | 74% | 0.744 | S | S | * | * | 76.4 | 123.8 | 77.5 | -68.3 | -28.9 | 0 | 0 | 0 | 113.4 | N1317 | N1317-D1319 VanDerWaalsContact CB-CG 3.45Å; N1317-D1319 WeakPolarHBondContact CB-OD1 3.17Å; N1317-D1319 WeakPolarHBondContact CB-OD2 3.39Å; N1317-D1319 PolarHBondContact ND2-OD1 3.28Å; N1317-D1319 PolarHBondContact ND2-OD2 2.95Å | |||
| 1320 | T | 20.6 | Very low | 21.6 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | trans | -86.6 | 131.4 | 152.8 | 45.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1321 | D | 21 | Very low | 21.5 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | -161.9 | 172.3 | 124.9 | -115.3 | -28.7 | 0 | 0 | 0 | 115.2 | |||||
| 1322 | I | 20.9 | Very low | 21.6 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | trans | -76.7 | 141.6 | -169.4 | -61 | 153.7 | 0 | 0 | 0 | 112.6 | ||||
| 1323 | G | 21.2 | Very low | 21.4 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | trans | 151 | 139.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1324 | E | 20.1 | Very low | 21.3 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | trans | -96.4 | 154.4 | 173.2 | -72.2 | -160.7 | 150.8 | 0 | 0 | 113.1 | ||||
| 1325 | K | 21.1 | Very low | 21.2 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | trans | 75.1 | 113.3 | 150.7 | -75.2 | 167.3 | -178.7 | 129 | 0 | 121.6 | ||||
| 1326 | Q | 20 | Very low | 21.1 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | 63.5 | 115.1 | 124.4 | -71.7 | 173.1 | -92.9 | 0 | 0 | 121.7 | |||||
| 1327 | E | 19.5 | Very low | 21.1 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | 119.1 | 142.5 | 112 | -95.7 | 168.9 | -137.9 | 0 | 0 | 122.8 | |||||
| 1328 | L | 22.9 | Very low | 21 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | 78.2 | 68.9 | 153.8 | -64.8 | 163.2 | 0 | 0 | 0 | 122.8 | ||||
| 1329 | S | 20.5 | Very low | 21.1 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | 42.8 | 156.6 | 107.3 | 70.9 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1330 | I | 22 | Very low | 21.2 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 81% | 0.805 | 73% | 0.734 | S | S | * | * | trans | 98.9 | 137.1 | 157 | -60.1 | 166.4 | 0 | 0 | 0 | 116.7 | ||||
| 1331 | S | 20.8 | Very low | 21.4 | Very low | 80 Ų | 80 | 134.3 Ų | 134.3 | 56% | 0.559 | 73% | 0.731 | S | S | * | * | cis | -171.9 | 173.6 | -42.9 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1332 | H | 24.1 | Very low | 21.6 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 70% | 0.704 | 73% | 0.731 | S | S | * | * | trans | 76.4 | 134 | 165.4 | -62.1 | -52.1 | 0 | 0 | 0 | 118.7 | ||||
| 1333 | Q | 20.4 | Very low | 21.6 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | cis | 94.1 | 141 | 42.4 | -90.2 | -177.6 | -30.5 | 0 | 0 | 113.2 | ||||
| 1334 | Q | 20.5 | Very low | 22 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | cis | -163.5 | 154.2 | -5.2 | -149.1 | 166.5 | -7.4 | 0 | 0 | 112.9 | ||||
| 1335 | S | 20.4 | Very low | 22.2 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | trans | 57 | 131.2 | 147.4 | 55.8 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1336 | Q | 19.9 | Very low | 22.3 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | trans | 88.6 | 111.5 | 136.5 | -79.5 | -176.8 | -3.6 | 0 | 0 | 123.9 | ||||
| 1337 | S | 21.7 | Very low | 22.5 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | trans | 71.9 | 148.9 | 137.5 | 65.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1338 | N | 20.6 | Very low | 22.7 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | trans | 81.9 | 145.3 | 169.4 | -61.4 | -25.5 | 0 | 0 | 0 | 119.6 | ||||
| 1339 | L | 23.3 | Very low | 22.9 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | 65.1 | 105 | 156.8 | -66.7 | 156.8 | 0 | 0 | 0 | 119.7 | ||||
| 1340 | S | 23.8 | Very low | 23 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | -68.6 | 162.2 | 129 | 72.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1341 | P | 25.4 | Very low | 23.2 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | cis | -143.4 | -147.1 | 31 | 38.8 | -15 | 0 | 0 | 0 | 114.2 | ||||
| 1342 | I | 24.6 | Very low | 23.3 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | trans | 114.1 | 108.1 | 160.2 | -60.7 | 166.8 | 0 | 0 | 0 | 115.7 | ||||
| 1343 | T | 21.9 | Very low | 23.2 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -89.5 | -166.5 | 164.3 | 49.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1344 | P | 27.8 | Very low | 23.3 | Very low | 97 Ų | 97 | 140 Ų | 140 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | cis | -147.7 | -172.4 | 9.6 | 47.2 | -26.9 | 0 | 0 | 0 | 117.8 | ||||
| 1345 | N | 24.1 | Very low | 23.5 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | trans | 67.4 | 147.2 | 150.8 | -69.3 | 10.5 | 0 | 0 | 0 | 119.9 | ||||
| 1346 | E | 24.6 | Very low | 23.6 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | cis | -155 | 146.8 | 2 | -133.5 | 167.6 | -110.9 | 0 | 0 | 116.1 | ||||
| 1347 | S | 23.4 | Very low | 23.9 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | trans | 97.9 | 144.1 | 133.8 | 84.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1348 | F | 24.6 | Very low | 24 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 81 | 83.7 | 162 | -75.2 | -82.9 | 0 | 0 | 0 | 124.1 | ||||
| 1349 | L | 25.7 | Very low | 24.1 | Very low | 131 Ų | 131 | 138 Ų | 138 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | trans | 86.5 | 105 | 133.2 | -68.8 | 174 | 0 | 0 | 0 | 123.4 | ||||
| 1350 | N | 23.7 | Very low | 24.1 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | 55 | 143.4 | 126.4 | -60.1 | 10 | 0 | 0 | 0 | 122.4 | |||||
| 1351 | M | 25.3 | Very low | 24.1 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | cis | -159.2 | 115.6 | -17.1 | -107.3 | 170.9 | 75 | 0 | 0 | 105.2 | ||||
| 1352 | E | 23.5 | Very low | 24.1 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | 68.6 | 139.6 | 90.7 | -67.1 | -150.7 | 103.9 | 0 | 0 | 115.5 | |||||
| 1353 | R | 22.8 | Very low | 24.1 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | cis | -151.7 | 168.7 | 15.4 | -141.5 | 168.5 | -118.4 | 175 | 6.5 | 112.6 | ||||
| 1354 | K | 21.9 | Very low | 24.4 | Very low | 202 Ų | 202 | 138.4 Ų | 138.4 | 88% | 0.878 | 74% | 0.738 | S | S | * | * | trans | -143.2 | 131.7 | 179.5 | -102.3 | -171.7 | 177.5 | -177.7 | 0 | 114.1 | ||||
| 1355 | S | 24.8 | Very low | 24.1 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 65.6 | 166.4 | 132.7 | -149.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1356 | I | 21.8 | Very low | 24.3 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | 83.6 | 143.1 | 167.9 | -53.6 | -178.4 | 0 | 0 | 0 | 117.3 | ||||
| 1357 | G | 27 | Very low | 24.2 | Very low | 57 Ų | 57 | 137.3 Ų | 137.3 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | trans | -134.5 | -161.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1358 | D | 24.1 | Very low | 24.2 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | 68.3 | 141.4 | -171.9 | -63.4 | -19.7 | 0 | 0 | 0 | 115.2 | ||||
| 1359 | L | 22.3 | Very low | 24.2 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | cis | -151.3 | 126.4 | -12.2 | -129.9 | 149.7 | 0 | 0 | 0 | 110.6 | ||||
| 1360 | F | 23.2 | Very low | 24.1 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | 9.6 | 134.5 | 162.2 | -68.6 | -106.4 | 0 | 0 | 0 | 123.2 | ||||
| 1361 | S | 23.7 | Very low | 24.1 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | 73.7 | 150.7 | 134.7 | 76.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1362 | T | 26.5 | Very low | 24 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | cis | -162.4 | 167.7 | -17.2 | 17.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1363 | S | 23.5 | Very low | 24 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | 119.7 | 128.2 | 141.3 | 76.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1364 | L | 27.5 | Very low | 24.1 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | -161.6 | 75 | 124.5 | -99.2 | 170.8 | 0 | 0 | 0 | 108.7 | |||||
| 1365 | T | 22.1 | Very low | 24.2 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 64% | 0.638 | 74% | 0.738 | S | S | * | * | 28.6 | 160.3 | 120 | 56 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1366 | P | 27.5 | Very low | 24.1 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -137.2 | -155.8 | 0.1 | 25.9 | 1.2 | 0 | 0 | 0 | 113.9 | ||||
| 1367 | D | 24.3 | Very low | 24 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | 79.3 | 80.2 | 151.9 | -57.3 | -24 | 0 | 0 | 0 | 119.7 | ||||
| 1368 | S | 21.7 | Very low | 23.8 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -60.2 | 165.5 | 137.8 | 62.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1369 | P | 26.4 | Very low | 23.8 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | -149.9 | 158.9 | 91 | 40.5 | -24.6 | 0 | 0 | 0 | 116.4 | |||||
| 1370 | T | 23.5 | Very low | 23.7 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | 52 | 137.9 | 143.4 | 55.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1371 | N | 22.7 | Very low | 23.7 | Very low | 135 Ų | 135 | 130 Ų | 130 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 55 | 128.9 | 137.9 | -63.1 | 9.6 | 0 | 0 | 0 | 120.5 | ||||
| 1372 | E | 23.8 | Very low | 23.7 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | 72.8 | 155.1 | 149.8 | -66.9 | 175.7 | 176.8 | 0 | 0 | 119.1 | ||||
| 1373 | V | 23.9 | Very low | 23.4 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | -172.5 | 153 | -51.6 | 127.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1374 | Q | 23.3 | Very low | 23.4 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 65% | 0.654 | 75% | 0.749 | S | S | * | * | trans | 78.1 | 143.6 | 159.6 | -96.8 | 164.7 | 34.6 | 0 | 0 | 122 | ||||
| 1375 | Q | 24.1 | Very low | 23.2 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | 70.4 | 126.8 | 164 | -63.6 | 171.9 | 31.1 | 0 | 0 | 116.3 | ||||
| 1376 | I | 23.5 | Very low | 23.4 | Very low | 161 Ų | 161 | 143 Ų | 143 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | cis | -87.5 | 136.2 | 12.2 | -66.3 | 170.9 | 0 | 0 | 0 | 113.2 | E1378 | I1376-E1378 HydrophobicContact CG2-CB 4.49Š| ||
| 1377 | Q | 20.2 | Very low | 23.1 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | -101 | 122.6 | 160.1 | -70 | 171.8 | -98.3 | 0 | 0 | 108.6 | ||||
| 1378 | E | 23.3 | Very low | 23.2 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -170.6 | 136 | 160.1 | -111.1 | 172.8 | -144.6 | 0 | 0 | 107.6 | I1376 | I1376-E1378 HydrophobicContact CG2-CB 4.49Š| ||
| 1379 | S | 23.1 | Very low | 23.2 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | cis | -152.3 | 164.6 | -20.9 | 49.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1380 | S | 20.8 | Very low | 23.2 | Very low | 92 Ų | 92 | 148.3 Ų | 148.3 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | -58.1 | 137.8 | 176.7 | 49.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1381 | N | 21.9 | Very low | 23.3 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | 177.3 | 166.6 | 113.3 | -88.9 | -32 | 0 | 0 | 0 | 113.6 | |||||
| 1382 | Y | 25 | Very low | 23.4 | Very low | 215 Ų | 215 | 149.8 Ų | 149.8 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | 81.6 | 45.8 | 179 | -62 | -73.3 | 0 | 0 | 0 | 118.6 | ||||
| 1383 | Q | 20.8 | Very low | 23.4 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | -69.7 | 112.8 | 127.8 | -82.2 | -174.4 | -38 | 0 | 0 | 108.3 | |||||
| 1384 | H | 22.4 | Very low | 23.5 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -165.7 | 158.1 | 154.5 | -113.7 | -77.2 | 0 | 0 | 0 | 111.3 | ||||
| 1385 | M | 22.6 | Very low | 23.5 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 61% | 0.611 | 78% | 0.775 | S | S | * | * | trans | 71.1 | 76.6 | 169.6 | -62.1 | -166.3 | 68.9 | 0 | 0 | 118.7 | ||||
| 1386 | Y | 26.6 | Very low | 23.5 | Very low | 175 Ų | 175 | 150.4 Ų | 150.4 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | 78.6 | 105.9 | 123.7 | -63.7 | -59.4 | 0 | 0 | 0 | 121.3 | I1388 | Y1386-I1388 HydrophobicContact CD1-CG1 4.31Å; Y1386-I1388 HydrophobicContact CG-CD1 4.46Å; Y1386-I1388 HydrophobicContact CG-CG1 4.3Å | |||
| 1387 | S | 22.4 | Very low | 23.8 | Very low | 115 Ų | 115 | 149 Ų | 149 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | -66.2 | 136.1 | 122.7 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1388 | I | 25.3 | Very low | 24 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | -119 | 115.1 | 161.4 | -75.2 | 168.7 | 0 | 0 | 0 | 108 | Y1386 | Y1386-I1388 HydrophobicContact CD1-CG1 4.31Å; Y1386-I1388 HydrophobicContact CG-CD1 4.46Å; Y1386-I1388 HydrophobicContact CG-CG1 4.3Å | ||
| 1389 | K | 22.9 | Very low | 24.1 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 131.1 | 156.9 | -68.6 | 179.5 | 176.1 | -178.9 | 0 | 107.1 | A1391 | K1389-A1391 VanDerWaalsContact C-N 3.32Å; K1389-A1391 PolarHBondContact O-N 3.21Å | ||
| 1390 | T | 25.6 | Very low | 24 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -70.1 | 92.4 | 164.7 | 47.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1391 | A | 25.9 | Very low | 24.1 | Very low | 88 Ų | 88 | 154 Ų | 154 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -75.1 | 137.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | K1389 | K1389-A1391 VanDerWaalsContact C-N 3.32Å; K1389-A1391 PolarHBondContact O-N 3.21Å | ||
| 1392 | E | 24 | Very low | 24.3 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -70.3 | 134.7 | 170.1 | -59.8 | -178.6 | 123 | 0 | 0 | 109.6 | ||||
| 1393 | C | 24.9 | Very low | 24.3 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 86% | 0.858 | 78% | 0.784 | S | S | * | * | trans | -103.3 | 90.2 | 175.5 | -145.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1394 | K | 24.4 | Very low | 24.6 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -100.7 | 127.4 | 155.6 | -81.3 | -174.4 | 175.8 | 178.4 | 0 | 108.4 | ||||
| 1395 | T | 24.9 | Very low | 24.8 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -86.9 | 116.6 | 172 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1396 | D | 24.1 | Very low | 24.9 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -131.7 | 153.3 | 158.3 | -86.1 | -54 | 0 | 0 | 0 | 108 | ||||
| 1397 | T | 28.1 | Very low | 24.8 | Very low | 131 Ų | 131 | 144 Ų | 144 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -91.9 | 126.7 | -156 | 52.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1398 | D | 25.6 | Very low | 24.9 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 33.9 | 111.1 | 135.8 | -68 | -22.9 | 0 | 0 | 0 | 120.2 | ||||
| 1399 | L | 23.8 | Very low | 24.8 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | 174.7 | 132.1 | 99.7 | -101.1 | 156.9 | 0 | 0 | 0 | 117 | |||||
| 1400 | S | 21.9 | Very low | 24.8 | Very low | 82 Ų | 82 | 141.4 Ų | 141.4 | 57% | 0.573 | 79% | 0.787 | S | S | * | * | trans | 56.9 | 112.8 | 141.5 | 64.5 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1401 | W | 22.8 | Very low | 24.9 | Very low | 247 Ų | 247 | 143.1 Ų | 143.1 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | 94 | 137.3 | 117.8 | -71.3 | 16.5 | 0 | 0 | 0 | 123.3 | |||||
| 1402 | A | 25.7 | Very low | 24.7 | Very low | 81 Ų | 81 | 147.7 Ų | 147.7 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | 70 | 144.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1403 | D | 26.1 | Very low | 24.7 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | cis | -161.3 | 170.6 | -18.4 | -102.8 | -20.7 | 0 | 0 | 0 | 112.6 | ||||
| 1404 | D | 27.1 | Very low | 24.8 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | -11.2 | 124.9 | 178.3 | -83.6 | -53.1 | 0 | 0 | 0 | 124.8 | ||||
| 1405 | N | 26.1 | Very low | 24.8 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | 37.3 | 124.7 | 117.9 | -70.2 | -62.2 | 0 | 0 | 0 | 123 | |||||
| 1406 | L | 24.4 | Very low | 24.8 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | -171 | 148.6 | 128.6 | -107.2 | 165.3 | 0 | 0 | 0 | 115.1 | |||||
| 1407 | N | 25.5 | Very low | 25.1 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 54.2 | 99.1 | 160.9 | -71.6 | -9.1 | 0 | 0 | 0 | 122.6 | ||||
| 1408 | V | 24.4 | Very low | 25.1 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | 29.6 | 140.7 | 102.4 | -175.8 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1409 | D | 22.4 | Very low | 25.4 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | 70.6 | 82 | 164.4 | -77.9 | -7.4 | 0 | 0 | 0 | 119.7 | ||||
| 1410 | S | 22.9 | Very low | 26 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -157.7 | 167.4 | 135.3 | 46.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1411 | L | 27.6 | Very low | 27 | Very low | 164 Ų | 164 | 146 Ų | 146 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | 70.2 | 86.3 | 174.4 | -70 | 161.2 | 0 | 0 | 0 | 118.4 | ||||
| 1412 | K | 22.9 | Very low | 28.2 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -61.2 | 163.9 | 135.3 | -68.5 | 177.8 | 175.7 | 177.3 | 0 | 110.4 | ||||
| 1413 | N | 23.2 | Very low | 29.8 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | 80.6 | 112.1 | 172.7 | -51.2 | -12.6 | 0 | 0 | 0 | 114.4 | ||||
| 1414 | G | 25.9 | Very low | 32.1 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -164.7 | 22.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1415 | I | 26.4 | Very low | 34.8 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | trans | 51.9 | 132.1 | 161.1 | -64.3 | 166.1 | 0 | 0 | 0 | 118.7 | ||||
| 1416 | D | 24.9 | Very low | 37.5 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | trans | -61.4 | 142.4 | 174.5 | -45.2 | -95.7 | 0 | 0 | 0 | 113.5 | ||||
| 1417 | N | 28.4 | Very low | 40.5 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 81% | 0.807 | 65% | 0.654 | S | S | * | * | trans | -128.5 | 120.3 | 155.8 | -86.3 | -33.5 | 0 | 0 | 0 | 107.8 | D1419 | N1417-D1419 PolarHBondContact O-N 3.36Š| ||
| 1418 | D | 28.4 | Very low | 43.3 | Very low | 103 Ų | 103 | 116.2 Ų | 116.2 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | trans | -101.5 | 30.3 | -160.8 | -150.5 | -3.3 | 0 | 0 | 0 | 113.1 | R1421 | D1418-R1421 VanDerWaalsContact CG-NH2 3.26Å; D1418-R1421 IonicContact OD1-CZ 3.47Å; D1418-R1421 VanDerWaalsContact OD1-CZ 3.26Å; D1418-R1421 IonicContact OD1-NE 3.52Å; D1418-R1421 PolarHBondContact OD1-NE 3.48Å; D1418-R1421 IonicContact OD1-NH2 3.05Å; D1418-R1421 PolarHBondContact OD1-NH2 3.02Å; D1418-R1421 IonicContact OD2-CZ 2.72Å; D1418-R1421 IonicContact OD2-NE 2.76Å; D1418-R1421 IonicContact OD2-NH2 3.37Å; D1418-R1421 PolarHBondContact OD2-NH2 3.27Å | ||
| 1419 | D | 32.9 | Very low | 46.2 | Very low | 134 Ų | 134 | 112.3 Ų | 112.3 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -78.1 | -17 | -167.6 | -81.3 | -40.3 | 0 | 0 | 0 | 115.3 | N1417 R1421 | N1417-D1419 PolarHBondContact O-N 3.36Å; D1419-R1421 VanDerWaalsContact C-N 3.26Å; D1419-R1421 PolarHBondContact O-N 3.46Å |
| 1420 | D | 36.9 | Very low | 49.3 | Very low | 155 Ų | 155 | 104.9 Ų | 104.9 | 83% | 0.829 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -81.4 | 5.5 | -170.1 | -116.1 | -23 | 0 | 0 | 0 | 114.6 | ||
| 1421 | R | 41.8 | Very low | 52.1 | Low | 196 Ų | 196 | 99.9 Ų | 99.9 | 74% | 0.74 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -82.8 | -14.2 | -173.1 | -60.7 | -160.6 | -164.2 | -158.9 | 12.5 | 115.8 | D1418 D1419 | D1418-R1421 VanDerWaalsContact CG-NH2 3.26Å; D1418-R1421 IonicContact OD1-CZ 3.47Å; D1418-R1421 VanDerWaalsContact OD1-CZ 3.26Å; D1418-R1421 IonicContact OD1-NE 3.52Å; D1418-R1421 PolarHBondContact OD1-NE 3.48Å; D1418-R1421 IonicContact OD1-NH2 3.05Å; D1418-R1421 PolarHBondContact OD1-NH2 3.02Å; D1418-R1421 IonicContact OD2-CZ 2.72Å; D1418-R1421 IonicContact OD2-NE 2.76Å; D1418-R1421 IonicContact OD2-NH2 3.37Å; D1418-R1421 PolarHBondContact OD2-NH2 3.27Å; D1419-R1421 VanDerWaalsContact C-N 3.26Å; D1419-R1421 PolarHBondContact O-N 3.46Å |
| 1422 | D | 49 | Very low | 54.5 | Low | 113 Ų | 113 | 97.5 Ų | 97.5 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | trans | -97.3 | -1.7 | -162.2 | -125.8 | -36 | 0 | 0 | 0 | 115.9 | I1424 K1630 | D1422-I1424 PolarHBondContact O-N 2.88Å; D1422-K1630 PolarHBondContact O-NZ 3.3Å; D1422-K1630 IonicContact OD1-NZ 3.53Å; D1422-K1630 PolarHBondContact OD1-NZ 3.37Å | ||
| 1423 | N | 59 | Low | 57.3 | Low | 126 Ų | 126 | 91.9 Ų | 91.9 | 67% | 0.674 | 49% | 0.493 | S | S | * | . | trans | -91 | 103.5 | 176.5 | -81.8 | -48.3 | 0 | 0 | 0 | 112.3 | F1425 | N1423-F1425 VanDerWaalsContact C-N 3.29Å; N1423-F1425 PolarHBondContact O-N 3.29Å | ||
| 1424 | I | 74.7 | Confident | 59.9 | Low | 29 Ų | 29 | 89.6 Ų | 89.6 | 15% | 0.149 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -60 | -39.5 | 179.9 | -56.1 | 171.1 | 0 | 0 | 0 | 111.4 | D1422 N1528 V1623 S1626 M1627 K1630 F1686 | D1422-I1424 PolarHBondContact O-N 2.88Å; I1424-N1528 PolarHBondContact O-ND2 3.27Å; I1424-V1623 HydrophobicContact CG2-CG1 4.28Å; I1424-S1626 WeakPolarHBondContact CD1-OG 3.42Å; I1424-M1627 HydrophobicContact CD1-CG 3.71Å; I1424-M1627 HydrophobicContact CG2-CE 3.9Å; I1424-K1630 HydrophobicContact CD1-CD 4.16Å; I1424-F1686 HydrophobicContact CG2-CE1 3.89Å; I1424-F1686 HydrophobicContact CG2-CZ 4.39Å |
| 1425 | F | 83.6 | Confident | 62.5 | Low | 14 Ų | 14 | 89.8 Ų | 89.8 | 6% | 0.061 | 46% | 0.46 | C | S | . | . | trans | -150.7 | 159 | 177.6 | 70.7 | -76.4 | 0 | 0 | 0 | 110.2 | N1423 I1427 N1528 V1530 M1627 Y1679 A1683 F1686 | N1423-F1425 VanDerWaalsContact C-N 3.29Å; N1423-F1425 PolarHBondContact O-N 3.29Å; F1425-I1427 HydrophobicContact CD2-CG1 3.99Å; F1425-I1427 HydrophobicContact CE2-CD1 3.74Å; F1425-I1427 HydrophobicContact CE2-CG1 3.49Å; F1425-I1427 VanDerWaalsContact CE2-CG1 3.49Å; F1425-I1427 HydrophobicContact CZ-CD1 4.24Å; F1425-I1427 HydrophobicContact CZ-CG1 4.43Å; F1425-N1528 CarbonylContact C-O 3.52Å; F1425-N1528 WeakPolarHBondContact CA-O 3.41Å; F1425-V1530 HydrophobicContact CD2-CB 4.34Å; F1425-V1530 HydrophobicContact CD2-CG2 3.62Å; F1425-V1530 HydrophobicContact CE2-CG2 4.07Å; F1425-M1627 HydrophobicContact CD1-CE 3.38Å; F1425-M1627 HydrophobicContact CE1-CE 3.38Å; F1425-M1627 HydrophobicContact CG-CE 4.46Å; F1425-M1627 HydrophobicContact CZ-CE 4.45Å; F1425-Y1679 HydrophobicContact CE1-CE2 4.42Å; F1425-Y1679 HydrophobicContact CZ-CE2 4.07Å; F1425-A1683 HydrophobicContact CE1-CB 4.24Å; F1425-A1683 HydrophobicContact CZ-CB 3.91Å; F1425-F1686 HydrophobicContact CB-CD1 4.44Å; F1425-F1686 HydrophobicContact CB-CD2 3.69Å; F1425-F1686 HydrophobicContact CB-CE2 3.83Å; F1425-F1686 HydrophobicContact CB-CG 4Å; F1425-F1686 HydrophobicContact CB-CZ 4.21Å; F1425-F1686 HydrophobicContact CD1-CD1 4.36Å; F1425-F1686 HydrophobicContact CD1-CG 4.32Å; F1425-F1686 HydrophobicContact CD2-CB 4.38Å; F1425-F1686 HydrophobicContact CG-CB 4.3Å; F1425-F1686 HydrophobicContact CG-CD1 4.49Å; F1425-F1686 HydrophobicContact CG-CD2 4.2Å; F1425-F1686 HydrophobicContact CG-CG 4.06Å | ||
| 1426 | S | 83 | Confident | 65.2 | Low | 54 Ų | 54 | 85.4 Ų | 85.4 | 38% | 0.378 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 145.8 | 176.3 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | N1528 A1529 V1530 | S1426-N1528 PolarHBondContact N-O 3.06Å; S1426-N1528 PolarHBondContact OG-O 3.08Å; S1426-A1529 CarbonylContact O-C 3.07Å; S1426-A1529 WeakPolarHBondContact O-CA 3.47Å; S1426-V1530 PolarHBondContact O-N 3.36Å |
| 1427 | I | 85.8 | Confident | 68.1 | Low | 43 Ų | 43 | 78.3 Ų | 78.3 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.5 | 176.3 | -55.7 | 169.4 | 0 | 0 | 0 | 109.3 | F1425 V1530 W1532 L1674 V1678 Y1679 | F1425-I1427 HydrophobicContact CD2-CG1 3.99Å; F1425-I1427 HydrophobicContact CE2-CD1 3.74Å; F1425-I1427 HydrophobicContact CE2-CG1 3.49Å; F1425-I1427 VanDerWaalsContact CE2-CG1 3.49Å; F1425-I1427 HydrophobicContact CZ-CD1 4.24Å; F1425-I1427 HydrophobicContact CZ-CG1 4.43Å; I1427-V1530 CarbonylContact C-O 3.59Å; I1427-V1530 WeakPolarHBondContact CA-O 3.29Å; I1427-W1532 HydrophobicContact CG2-CB 4.17Å; I1427-L1674 HydrophobicContact CB-CD2 4.02Å; I1427-L1674 HydrophobicContact CD1-CD2 3.47Å; I1427-L1674 VanDerWaalsContact CD1-CD2 3.47Å; I1427-L1674 HydrophobicContact CG1-CD2 4.34Å; I1427-L1674 HydrophobicContact CG2-CD2 3.95Å; I1427-V1678 HydrophobicContact CG2-CG1 4.33Å; I1427-Y1679 HydrophobicContact CD1-CD2 3.82Å |
| 1428 | V | 85.5 | Confident | 70.8 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 24% | 0.242 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 110.6 | 179.8 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | V1430 V1530 F1531 W1532 | V1428-V1430 HydrophobicContact CG1-CG1 3.97Å; V1428-V1430 PolarHBondContact O-N 3.3Å; V1428-V1430 VanDerWaalsContact O-N 3.15Å; V1428-V1530 PolarHBondContact N-O 2.98Å; V1428-F1531 HydrophobicContact CB-CD1 4Å; V1428-F1531 HydrophobicContact CB-CE1 4.39Å; V1428-F1531 HydrophobicContact CG1-CD1 4.29Å; V1428-F1531 HydrophobicContact CG2-CE1 4.47Å; V1428-F1531 WeakPolarHBondContact O-CA 3.18Å; V1428-W1532 PolarHBondContact O-N 3.35Å |
| 1429 | N | 85.7 | Confident | 73.4 | Confident | 40 Ų | 40 | 71.7 Ų | 71.7 | 21% | 0.214 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 94.4 | 172.8 | -179.2 | -8.8 | 0 | 0 | 0 | 109.7 | T1431 Q1432 L1436 W1532 | N1429-T1431 VanDerWaalsContact C-N 3.26Å; N1429-T1431 PolarHBondContact O-N 3.26Å; N1429-T1431 PolarHBondContact OD1-N 3.02Å; N1429-T1431 PolarHBondContact OD1-OG1 3.46Å; N1429-Q1432 WeakPolarHBondContact O-CB 3.25Å; N1429-Q1432 PolarHBondContact O-N 2.95Å; N1429-Q1432 PolarHBondContact OD1-N 3.45Å; N1429-L1436 WeakPolarHBondContact O-CD2 3.41Å; N1429-W1532 WeakPolarHBondContact CA-O 3.43Å |
| 1430 | V | 86.2 | Confident | 76 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -72.3 | -21.9 | -173.4 | -65.6 | 0 | 0 | 0 | 0 | 113 | V1428 Q1432 W1437 F1440 F1531 W1532 I1533 | V1428-V1430 HydrophobicContact CG1-CG1 3.97Å; V1428-V1430 PolarHBondContact O-N 3.3Å; V1428-V1430 VanDerWaalsContact O-N 3.15Å; V1430-Q1432 VanDerWaalsContact C-N 3.31Å; V1430-Q1432 PolarHBondContact O-N 2.86Å; V1430-W1437 HydrophobicContact CB-CE3 4.21Å; V1430-W1437 HydrophobicContact CG2-CE3 3.75Å; V1430-W1437 HydrophobicContact CG2-CZ3 3.72Å; V1430-W1437 VanDerWaalsContact O-CA 3.3Å; V1430-W1437 WeakPolarHBondContact O-CA 3.03Å; V1430-W1437 WeakPolarHBondContact O-CB 3.41Å; V1430-W1437 PolarHBondContact O-N 3.12Å; V1430-W1437 VanDerWaalsContact O-N 3.15Å; V1430-F1440 HydrophobicContact CB-CB 3.92Å; V1430-F1440 HydrophobicContact CB-CD1 3.82Å; V1430-F1440 HydrophobicContact CB-CD2 4.45Å; V1430-F1440 HydrophobicContact CB-CE1 4.44Å; V1430-F1440 HydrophobicContact CB-CG 3.8Å; V1430-F1440 HydrophobicContact CG1-CB 3.74Å; V1430-F1440 HydrophobicContact CG1-CD1 3.94Å; V1430-F1440 HydrophobicContact CG1-CD2 3.66Å; V1430-F1440 HydrophobicContact CG1-CE1 4.44Å; V1430-F1440 HydrophobicContact CG1-CE2 4.2Å; V1430-F1440 HydrophobicContact CG1-CG 3.49Å; V1430-F1440 VanDerWaalsContact CG1-CG 3.49Å; V1430-F1440 HydrophobicContact CG2-CD1 3.67Å; V1430-F1440 HydrophobicContact CG2-CE1 3.86Å; V1430-F1440 HydrophobicContact CG2-CG 4.13Å; V1430-F1440 HydrophobicContact CG2-CZ 4.45Å; V1430-F1531 HydrophobicContact CG1-CB 4.16Å; V1430-F1531 HydrophobicContact CG1-CD1 3.75Å; V1430-F1531 HydrophobicContact CG1-CG 4.44Å; V1430-W1532 WeakPolarHBondContact CG2-O 3.44Å; V1430-W1532 PolarHBondContact N-O 2.89Å; V1430-I1533 HydrophobicContact CG2-CG1 3.87Å |
| 1431 | T | 82.9 | Confident | 78.3 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -81.6 | -0.9 | 178.2 | 36.4 | 0 | 0 | 0 | 0 | 114.6 | N1429 N1433 W1437 I1533 H1534 | N1429-T1431 VanDerWaalsContact C-N 3.26Å; N1429-T1431 PolarHBondContact O-N 3.26Å; N1429-T1431 PolarHBondContact OD1-N 3.02Å; N1429-T1431 PolarHBondContact OD1-OG1 3.46Å; T1431-N1433 VanDerWaalsContact C-N 3.29Å; T1431-N1433 PolarHBondContact O-N 2.92Å; T1431-W1437 HydrophobicContact CG2-CD2 4.4Å; T1431-W1437 HydrophobicContact CG2-CE3 3.93Å; T1431-W1437 HydrophobicContact CG2-CZ3 4.09Å; T1431-I1533 HydrophobicContact CG2-CG2 3.82Å; T1431-H1534 VanDerWaalsContact OG1-CB 3.3Å; T1431-H1534 WeakPolarHBondContact OG1-CB 3.4Å; T1431-H1534 PolarHBondContact OG1-N 3.48Å |
| 1432 | Q | 78 | Confident | 80.2 | Confident | 114 Ų | 114 | 53.8 Ų | 53.8 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -63.9 | -28.9 | -176.2 | -174.5 | 177 | 1.6 | 0 | 0 | 114 | N1429 V1430 L1436 | N1429-Q1432 WeakPolarHBondContact O-CB 3.25Å; N1429-Q1432 PolarHBondContact O-N 2.95Å; N1429-Q1432 PolarHBondContact OD1-N 3.45Å; V1430-Q1432 VanDerWaalsContact C-N 3.31Å; V1430-Q1432 PolarHBondContact O-N 2.86Å; Q1432-L1436 HydrophobicContact CB-CD2 4.48Å |
| 1433 | N | 80.3 | Confident | 81.8 | Confident | 65 Ų | 65 | 54 Ų | 54 | 35% | 0.348 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -150.5 | 141.5 | 177.3 | -177.1 | -64.4 | 0 | 0 | 0 | 109.3 | T1431 T1435 L1436 W1437 N1542 | T1431-N1433 VanDerWaalsContact C-N 3.29Å; T1431-N1433 PolarHBondContact O-N 2.92Å; N1433-T1435 PolarHBondContact O-N 3.33Å; N1433-T1435 WeakPolarHBondContact OD1-CB 3.13Å; N1433-T1435 PolarHBondContact OD1-N 3.28Å; N1433-T1435 PolarHBondContact OD1-OG1 3.22Å; N1433-L1436 HydrophobicContact CB-CB 4.42Å; N1433-L1436 PolarHBondContact O-N 2.8Å; N1433-W1437 PolarHBondContact O-N 3.48Å; N1433-N1542 WeakPolarHBondContact CA-O 3.36Å |
| 1434 | Y | 78.4 | Confident | 82.8 | Confident | 114 Ų | 114 | 48 Ų | 48 | 45% | 0.447 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -52.4 | -38.3 | 178.7 | -170.9 | -95.4 | 0 | 0 | 0 | 113.9 | W1437 K1438 | Y1434-W1437 PolarHBondContact O-N 3.33Å; Y1434-K1438 HydrophobicContact CD1-CG 4.16Å; Y1434-K1438 HydrophobicContact CE1-CG 3.81Å; Y1434-K1438 HydrophobicContact CE2-CG 4.5Å; Y1434-K1438 WeakPolarHBondContact O-CG 3.25Å; Y1434-K1438 PolarHBondContact O-N 3.06Å; Y1434-K1438 WeakPolarHBondContact OH-CE 3.39Å |
| 1435 | T | 81.3 | Confident | 83.1 | Confident | 80 Ų | 80 | 48.2 Ų | 48.2 | 49% | 0.491 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 175.8 | -56 | 0 | 0 | 0 | 0 | 111.5 | N1433 W1437 K1438 T1439 | N1433-T1435 PolarHBondContact O-N 3.33Å; N1433-T1435 WeakPolarHBondContact OD1-CB 3.13Å; N1433-T1435 PolarHBondContact OD1-N 3.28Å; N1433-T1435 PolarHBondContact OD1-OG1 3.22Å; T1435-W1437 VanDerWaalsContact C-N 3.3Å; T1435-W1437 PolarHBondContact O-N 3.3Å; T1435-K1438 PolarHBondContact O-N 2.96Å; T1435-T1439 WeakPolarHBondContact O-CB 3.11Å; T1435-T1439 PolarHBondContact O-N 3.39Å; T1435-T1439 PolarHBondContact O-OG1 2.95Å; T1435-T1439 VanDerWaalsContact O-OG1 3.11Å |
| 1436 | L | 82.5 | Confident | 82.8 | Confident | 65 Ų | 65 | 56.1 Ų | 56.1 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 178.2 | -178.8 | 63.2 | 0 | 0 | 0 | 111.3 | N1429 Q1432 N1433 T1439 F1440 | N1429-L1436 WeakPolarHBondContact O-CD2 3.41Å; Q1432-L1436 HydrophobicContact CB-CD2 4.48Å; N1433-L1436 HydrophobicContact CB-CB 4.42Å; N1433-L1436 PolarHBondContact O-N 2.8Å; L1436-T1439 PolarHBondContact O-N 3.49Å; L1436-F1440 WeakPolarHBondContact O-CB 3.31Å; L1436-F1440 PolarHBondContact O-N 3.26Å |
| 1437 | W | 86 | Confident | 82.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -48.8 | 176.1 | 176.8 | -119.3 | 0 | 0 | 0 | 112.3 | V1430 T1431 N1433 Y1434 T1435 F1440 L1441 I1533 V1544 D1552 I1553 | V1430-W1437 HydrophobicContact CB-CE3 4.21Å; V1430-W1437 HydrophobicContact CG2-CE3 3.75Å; V1430-W1437 HydrophobicContact CG2-CZ3 3.72Å; V1430-W1437 VanDerWaalsContact O-CA 3.3Å; V1430-W1437 WeakPolarHBondContact O-CA 3.03Å; V1430-W1437 WeakPolarHBondContact O-CB 3.41Å; V1430-W1437 PolarHBondContact O-N 3.12Å; V1430-W1437 VanDerWaalsContact O-N 3.15Å; T1431-W1437 HydrophobicContact CG2-CD2 4.4Å; T1431-W1437 HydrophobicContact CG2-CE3 3.93Å; T1431-W1437 HydrophobicContact CG2-CZ3 4.09Å; N1433-W1437 PolarHBondContact O-N 3.48Å; Y1434-W1437 PolarHBondContact O-N 3.33Å; T1435-W1437 VanDerWaalsContact C-N 3.3Å; T1435-W1437 PolarHBondContact O-N 3.3Å; W1437-F1440 HydrophobicContact CE3-CD1 4.02Å; W1437-F1440 AromaticContact CZ3-CD1 3.9Å; W1437-F1440 HydrophobicContact CZ3-CD1 3.9Å; W1437-F1440 HydrophobicContact CZ3-CE1 4.02Å; W1437-F1440 PolarHBondContact O-N 3.31Å; W1437-L1441 HydrophobicContact CD2-CD1 4.07Å; W1437-L1441 HydrophobicContact CD2-CG 4.27Å; W1437-L1441 HydrophobicContact CG-CD1 4.34Å; W1437-L1441 HydrophobicContact CH2-CD2 4.29Å; W1437-L1441 HydrophobicContact CZ2-CD1 3.89Å; W1437-L1441 HydrophobicContact CZ2-CD2 4.21Å; W1437-L1441 HydrophobicContact CZ2-CG 4.24Å; W1437-L1441 WeakPolarHBondContact O-CB 3.47Å; W1437-L1441 WeakPolarHBondContact O-CG 3.3Å; W1437-L1441 PolarHBondContact O-N 3.22Å; W1437-I1533 HydrophobicContact CH2-CD1 4.08Å; W1437-I1533 HydrophobicContact CH2-CG1 4.45Å; W1437-I1533 HydrophobicContact CH2-CG2 3.83Å; W1437-I1533 HydrophobicContact CZ3-CB 4.49Å; W1437-I1533 HydrophobicContact CZ3-CD1 4.04Å; W1437-I1533 HydrophobicContact CZ3-CG1 4.02Å; W1437-I1533 HydrophobicContact CZ3-CG2 3.83Å; W1437-V1544 HydrophobicContact CB-CG2 3.52Å; W1437-V1544 HydrophobicContact CD2-CG2 4.31Å; W1437-V1544 HydrophobicContact CG-CG1 4.37Å; W1437-V1544 HydrophobicContact CG-CG2 3.53Å; W1437-D1552 HydrophobicContact CZ2-CB 3.77Å; W1437-D1552 PolarHBondContact NE1-OD2 3.43Å; W1437-I1553 HydrophobicContact CH2-CD1 4.31Å; W1437-I1553 HydrophobicContact CH2-CG1 4.04Å; W1437-I1553 HydrophobicContact CZ2-CG1 4.37Å |
| 1438 | K | 84.9 | Confident | 81.8 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.8 | -31.6 | 177.8 | -62.9 | -53.7 | -173.2 | -175.5 | 0 | 112.5 | Y1434 T1435 L1441 T1442 D1552 | Y1434-K1438 HydrophobicContact CD1-CG 4.16Å; Y1434-K1438 HydrophobicContact CE1-CG 3.81Å; Y1434-K1438 HydrophobicContact CE2-CG 4.5Å; Y1434-K1438 WeakPolarHBondContact O-CG 3.25Å; Y1434-K1438 PolarHBondContact O-N 3.06Å; Y1434-K1438 WeakPolarHBondContact OH-CE 3.39Å; T1435-K1438 PolarHBondContact O-N 2.96Å; K1438-L1441 HydrophobicContact CD-CD1 4.15Å; K1438-T1442 WeakPolarHBondContact O-CB 3.43Å; K1438-T1442 PolarHBondContact O-N 3.38Å; K1438-T1442 PolarHBondContact O-OG1 3.35Å; K1438-D1552 VanDerWaalsContact NZ-CG 3.3Å; K1438-D1552 IonicContact NZ-OD1 3.87Å; K1438-D1552 PolarHBondContact NZ-OD1 3.16Å; K1438-D1552 VanDerWaalsContact NZ-OD1 3.16Å; K1438-D1552 IonicContact NZ-OD2 3.36Å; K1438-D1552 PolarHBondContact NZ-OD2 3.44Å |
| 1439 | T | 84 | Confident | 81.2 | Confident | 56 Ų | 56 | 55.3 Ų | 55.3 | 34% | 0.344 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -51.8 | 168.7 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | T1435 L1436 L1441 T1442 E1443 | T1435-T1439 WeakPolarHBondContact O-CB 3.11Å; T1435-T1439 PolarHBondContact O-N 3.39Å; T1435-T1439 PolarHBondContact O-OG1 2.95Å; T1435-T1439 VanDerWaalsContact O-OG1 3.11Å; L1436-T1439 PolarHBondContact O-N 3.49Å; T1439-L1441 PolarHBondContact O-N 2.85Å; T1439-T1442 CarbonylContact O-C 3.29Å; T1439-T1442 WeakPolarHBondContact O-CA 3.47Å; T1439-T1442 WeakPolarHBondContact O-CB 3.48Å; T1439-T1442 PolarHBondContact O-N 3.26Å; T1439-E1443 HydrophobicContact CG2-CG 4.4Å; T1439-E1443 PolarHBondContact O-N 2.86Å |
| 1440 | F | 87.3 | Confident | 80.2 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 177.4 | 166.3 | -108.8 | 0 | 0 | 0 | 112.2 | V1430 L1436 W1437 T1442 E1443 L1444 L1525 F1531 I1533 | V1430-F1440 HydrophobicContact CB-CB 3.92Å; V1430-F1440 HydrophobicContact CB-CD1 3.82Å; V1430-F1440 HydrophobicContact CB-CD2 4.45Å; V1430-F1440 HydrophobicContact CB-CE1 4.44Å; V1430-F1440 HydrophobicContact CB-CG 3.8Å; V1430-F1440 HydrophobicContact CG1-CB 3.74Å; V1430-F1440 HydrophobicContact CG1-CD1 3.94Å; V1430-F1440 HydrophobicContact CG1-CD2 3.66Å; V1430-F1440 HydrophobicContact CG1-CE1 4.44Å; V1430-F1440 HydrophobicContact CG1-CE2 4.2Å; V1430-F1440 HydrophobicContact CG1-CG 3.49Å; V1430-F1440 VanDerWaalsContact CG1-CG 3.49Å; V1430-F1440 HydrophobicContact CG2-CD1 3.67Å; V1430-F1440 HydrophobicContact CG2-CE1 3.86Å; V1430-F1440 HydrophobicContact CG2-CG 4.13Å; V1430-F1440 HydrophobicContact CG2-CZ 4.45Å; L1436-F1440 WeakPolarHBondContact O-CB 3.31Å; L1436-F1440 PolarHBondContact O-N 3.26Å; W1437-F1440 HydrophobicContact CE3-CD1 4.02Å; W1437-F1440 AromaticContact CZ3-CD1 3.9Å; W1437-F1440 HydrophobicContact CZ3-CD1 3.9Å; W1437-F1440 HydrophobicContact CZ3-CE1 4.02Å; W1437-F1440 PolarHBondContact O-N 3.31Å; F1440-T1442 VanDerWaalsContact C-N 3.28Å; F1440-T1442 PolarHBondContact O-N 3.21Å; F1440-E1443 PolarHBondContact O-N 3.36Å; F1440-L1444 HydrophobicContact CE1-CD2 3.94Å; F1440-L1444 HydrophobicContact CE2-CB 4.48Å; F1440-L1444 HydrophobicContact CE2-CD2 4.22Å; F1440-L1444 HydrophobicContact CZ-CD2 3.63Å; F1440-L1444 WeakPolarHBondContact O-CB 3.48Å; F1440-L1444 PolarHBondContact O-N 3.12Å; F1440-L1525 HydrophobicContact CE2-CD2 4.19Å; F1440-F1531 HydrophobicContact CD2-CB 4.42Å; F1440-F1531 AromaticContact CD2-CD1 3.66Å; F1440-F1531 HydrophobicContact CD2-CD1 3.66Å; F1440-F1531 HydrophobicContact CD2-CE1 4.11Å; F1440-F1531 HydrophobicContact CD2-CG 4.09Å; F1440-F1531 HydrophobicContact CE2-CB 3.64Å; F1440-F1531 AromaticContact CE2-CD1 3.57Å; F1440-F1531 HydrophobicContact CE2-CD1 3.57Å; F1440-F1531 HydrophobicContact CE2-CD2 4.11Å; F1440-F1531 HydrophobicContact CE2-CE1 4.22Å; F1440-F1531 AromaticContact CE2-CG 3.48Å; F1440-F1531 HydrophobicContact CE2-CG 3.48Å; F1440-F1531 VanDerWaalsContact CE2-CG 3.48Å; F1440-F1531 HydrophobicContact CZ-CB 3.9Å; F1440-F1531 HydrophobicContact CZ-CG 4.25Å; F1440-I1533 HydrophobicContact CE1-CD1 4.27Å |
| 1441 | L | 84.6 | Confident | 78.9 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -36.3 | 174.6 | -74.1 | 174.1 | 0 | 0 | 0 | 111.8 | W1437 K1438 T1439 N1445 D1552 | W1437-L1441 HydrophobicContact CD2-CD1 4.07Å; W1437-L1441 HydrophobicContact CD2-CG 4.27Å; W1437-L1441 HydrophobicContact CG-CD1 4.34Å; W1437-L1441 HydrophobicContact CH2-CD2 4.29Å; W1437-L1441 HydrophobicContact CZ2-CD1 3.89Å; W1437-L1441 HydrophobicContact CZ2-CD2 4.21Å; W1437-L1441 HydrophobicContact CZ2-CG 4.24Å; W1437-L1441 WeakPolarHBondContact O-CB 3.47Å; W1437-L1441 WeakPolarHBondContact O-CG 3.3Å; W1437-L1441 PolarHBondContact O-N 3.22Å; K1438-L1441 HydrophobicContact CD-CD1 4.15Å; T1439-L1441 PolarHBondContact O-N 2.85Å; L1441-N1445 WeakPolarHBondContact O-CB 3.48Å; L1441-N1445 VanDerWaalsContact O-CG 3.23Å; L1441-N1445 PolarHBondContact O-N 3.07Å; L1441-N1445 PolarHBondContact O-ND2 3.42Å; L1441-D1552 HydrophobicContact CD1-CB 3.74Å; L1441-D1552 WeakPolarHBondContact CD1-OD2 3.37Å |
| 1442 | T | 82.2 | Confident | 77.4 | Confident | 94 Ų | 94 | 65 Ų | 65 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.6 | -45.6 | 177.7 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | K1438 T1439 F1440 N1445 Y1446 | K1438-T1442 WeakPolarHBondContact O-CB 3.43Å; K1438-T1442 PolarHBondContact O-N 3.38Å; K1438-T1442 PolarHBondContact O-OG1 3.35Å; T1439-T1442 CarbonylContact O-C 3.29Å; T1439-T1442 WeakPolarHBondContact O-CA 3.47Å; T1439-T1442 WeakPolarHBondContact O-CB 3.48Å; T1439-T1442 PolarHBondContact O-N 3.26Å; F1440-T1442 VanDerWaalsContact C-N 3.28Å; F1440-T1442 PolarHBondContact O-N 3.21Å; T1442-N1445 PolarHBondContact O-N 3.15Å; T1442-Y1446 VanDerWaalsContact O-CB 3.3Å; T1442-Y1446 WeakPolarHBondContact O-CB 3.47Å; T1442-Y1446 PolarHBondContact O-N 3.5Å |
| 1443 | E | 81.1 | Confident | 76.1 | Confident | 116 Ų | 116 | 62.6 Ų | 62.6 | 54% | 0.542 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 175 | -70.7 | -176.6 | 169.3 | 0 | 0 | 111.9 | T1439 F1440 Y1446 H1447 | T1439-E1443 HydrophobicContact CG2-CG 4.4Å; T1439-E1443 PolarHBondContact O-N 2.86Å; F1440-E1443 PolarHBondContact O-N 3.36Å; E1443-Y1446 PolarHBondContact O-N 3.24Å; E1443-H1447 WeakPolarHBondContact O-CB 3.45Å; E1443-H1447 PolarHBondContact O-N 3.47Å |
| 1444 | L | 81.4 | Confident | 74.5 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 178.1 | 179.1 | 57 | 0 | 0 | 0 | 111.8 | F1440 H1447 I1448 I1462 L1525 L1556 | F1440-L1444 HydrophobicContact CE1-CD2 3.94Å; F1440-L1444 HydrophobicContact CE2-CB 4.48Å; F1440-L1444 HydrophobicContact CE2-CD2 4.22Å; F1440-L1444 HydrophobicContact CZ-CD2 3.63Å; F1440-L1444 WeakPolarHBondContact O-CB 3.48Å; F1440-L1444 PolarHBondContact O-N 3.12Å; L1444-H1447 PolarHBondContact O-N 3.29Å; L1444-I1448 HydrophobicContact CD1-CD1 4.14Å; L1444-I1448 HydrophobicContact CD1-CG1 4.42Å; L1444-I1448 HydrophobicContact CG-CD1 4.05Å; L1444-I1448 WeakPolarHBondContact O-CB 3.4Å; L1444-I1448 WeakPolarHBondContact O-CD1 3.49Å; L1444-I1448 WeakPolarHBondContact O-CG1 3.42Å; L1444-I1448 PolarHBondContact O-N 2.79Å; L1444-I1462 HydrophobicContact CD1-CD1 4.46Å; L1444-L1525 HydrophobicContact CD1-CD1 3.5Å; L1444-L1525 HydrophobicContact CD1-CD2 4.19Å; L1444-L1556 HydrophobicContact CD2-CD1 3.58Å; L1444-L1556 HydrophobicContact CD2-CD2 3.65Å; L1444-L1556 HydrophobicContact CD2-CG 4.27Å; L1444-L1556 HydrophobicContact CG-CD1 3.85Å |
| 1445 | N | 81 | Confident | 72.8 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.8 | -42 | 174 | -81.4 | -55.9 | 0 | 0 | 0 | 112.3 | L1441 T1442 H1447 I1448 E1449 R1559 | L1441-N1445 WeakPolarHBondContact O-CB 3.48Å; L1441-N1445 VanDerWaalsContact O-CG 3.23Å; L1441-N1445 PolarHBondContact O-N 3.07Å; L1441-N1445 PolarHBondContact O-ND2 3.42Å; T1442-N1445 PolarHBondContact O-N 3.15Å; N1445-H1447 VanDerWaalsContact C-N 3.27Å; N1445-H1447 PolarHBondContact O-N 3.12Å; N1445-I1448 PolarHBondContact O-N 2.94Å; N1445-E1449 WeakPolarHBondContact O-CB 3.39Å; N1445-E1449 WeakPolarHBondContact O-CG 3.11Å; N1445-E1449 PolarHBondContact O-N 2.83Å; N1445-R1559 VanDerWaalsContact CG-NH1 3.26Å; N1445-R1559 WeakPolarHBondContact OD1-CD 3.42Å; N1445-R1559 PolarHBondContact OD1-NH1 3.11Å |
| 1446 | Y | 76.2 | Confident | 71 | Confident | 180 Ų | 180 | 70.2 Ų | 70.2 | 71% | 0.706 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.5 | -33.7 | 174.7 | -172.9 | -97.3 | 0 | 0 | 0 | 111.7 | T1442 E1443 G1450 | T1442-Y1446 VanDerWaalsContact O-CB 3.3Å; T1442-Y1446 WeakPolarHBondContact O-CB 3.47Å; T1442-Y1446 PolarHBondContact O-N 3.5Å; E1443-Y1446 PolarHBondContact O-N 3.24Å; Y1446-G1450 PolarHBondContact O-N 3.27Å |
| 1447 | H | 73.6 | Confident | 69.3 | Low | 39 Ų | 39 | 73.3 Ų | 73.3 | 18% | 0.181 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.6 | -53.2 | 171.2 | -166.8 | 81.6 | 0 | 0 | 0 | 111.3 | E1443 L1444 N1445 E1449 G1450 L1451 H1524 L1525 | E1443-H1447 WeakPolarHBondContact O-CB 3.45Å; E1443-H1447 PolarHBondContact O-N 3.47Å; L1444-H1447 PolarHBondContact O-N 3.29Å; N1445-H1447 VanDerWaalsContact C-N 3.27Å; N1445-H1447 PolarHBondContact O-N 3.12Å; H1447-E1449 PolarHBondContact O-N 3.38Å; H1447-G1450 PolarHBondContact O-N 2.74Å; H1447-G1450 VanDerWaalsContact O-N 3.12Å; H1447-L1451 VanDerWaalsContact O-CG 3.29Å; H1447-L1451 WeakPolarHBondContact O-CG 3.24Å; H1447-L1451 PolarHBondContact O-N 2.76Å; H1447-H1524 PolarHBondContact CE1-O 2.88Å; H1447-L1525 HydrophobicContact CB-CD1 3.63Å; H1447-L1525 VanDerWaalsContact CG-CD1 3.48Å |
| 1448 | I | 73.7 | Confident | 67.6 | Low | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -52.3 | -40.9 | 175.5 | -73.8 | 165.6 | 0 | 0 | 0 | 111.4 | L1444 N1445 L1556 R1559 I1560 F1563 I1565 | L1444-I1448 HydrophobicContact CD1-CD1 4.14Å; L1444-I1448 HydrophobicContact CD1-CG1 4.42Å; L1444-I1448 HydrophobicContact CG-CD1 4.05Å; L1444-I1448 WeakPolarHBondContact O-CB 3.4Å; L1444-I1448 WeakPolarHBondContact O-CD1 3.49Å; L1444-I1448 WeakPolarHBondContact O-CG1 3.42Å; L1444-I1448 PolarHBondContact O-N 2.79Å; N1445-I1448 PolarHBondContact O-N 2.94Å; I1448-L1556 HydrophobicContact CD1-CD1 3.5Å; I1448-L1556 VanDerWaalsContact CD1-CD1 3.5Å; I1448-R1559 HydrophobicContact CG2-CB 4.49Å; I1448-I1560 HydrophobicContact CD1-CG1 3.92Å; I1448-F1563 HydrophobicContact CG2-CB 3.95Å; I1448-F1563 HydrophobicContact CG2-CD1 3.97Å; I1448-F1563 HydrophobicContact CG2-CD2 4Å; I1448-F1563 HydrophobicContact CG2-CE1 4.47Å; I1448-F1563 HydrophobicContact CG2-CE2 4.49Å; I1448-F1563 HydrophobicContact CG2-CG 3.71Å; I1448-F1563 VanDerWaalsContact O-CD1 3.29Å; I1448-F1563 WeakPolarHBondContact O-CD1 3.24Å; I1448-I1565 HydrophobicContact CB-CD1 3.88Å; I1448-I1565 HydrophobicContact CG1-CD1 3.67Å; I1448-I1565 HydrophobicContact CG2-CD1 3.75Å |
| 1449 | E | 72.8 | Confident | 66.2 | Low | 81 Ų | 81 | 79.3 Ų | 79.3 | 38% | 0.379 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -74.1 | -41.6 | 177.6 | -72.5 | 176.4 | -155.9 | 0 | 0 | 113.2 | N1445 H1447 L1451 K1452 R1559 F1563 | N1445-E1449 WeakPolarHBondContact O-CB 3.39Å; N1445-E1449 WeakPolarHBondContact O-CG 3.11Å; N1445-E1449 PolarHBondContact O-N 2.83Å; H1447-E1449 PolarHBondContact O-N 3.38Å; E1449-L1451 PolarHBondContact O-N 3.17Å; E1449-K1452 VanDerWaalsContact O-CB 3.3Å; E1449-K1452 WeakPolarHBondContact O-CB 3.38Å; E1449-K1452 PolarHBondContact O-N 3.37Å; E1449-K1452 VanDerWaalsContact O-N 3.09Å; E1449-R1559 IonicContact OE1-CZ 3.94Å; E1449-R1559 VanDerWaalsContact OE1-CZ 3.29Å; E1449-R1559 IonicContact OE1-NH1 3.97Å; E1449-R1559 PolarHBondContact OE1-NH1 2.81Å; E1449-R1559 IonicContact OE1-NH2 2.7Å; E1449-R1559 PolarHBondContact OE1-NH2 2.7Å; E1449-F1563 HydrophobicContact CB-CE1 4.17Å; E1449-F1563 HydrophobicContact CG-CE1 3.62Å; E1449-F1563 HydrophobicContact CG-CZ 3.65Å |
| 1450 | G | 65.2 | Low | 65.5 | Low | 57 Ų | 57 | 78.5 Ų | 78.5 | 59% | 0.588 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.4 | -18.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1446 H1447 K1452 | Y1446-G1450 PolarHBondContact O-N 3.27Å; H1447-G1450 PolarHBondContact O-N 2.74Å; H1447-G1450 VanDerWaalsContact O-N 3.12Å; G1450-K1452 PolarHBondContact O-N 2.93Å |
| 1451 | L | 59.9 | Low | 65.2 | Low | 46 Ų | 46 | 79.2 Ų | 79.2 | 24% | 0.241 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -2 | 170.7 | -66 | 174.7 | 0 | 0 | 0 | 113.5 | H1447 E1449 S1453 N1460 I1565 | H1447-L1451 VanDerWaalsContact O-CG 3.29Å; H1447-L1451 WeakPolarHBondContact O-CG 3.24Å; H1447-L1451 PolarHBondContact O-N 2.76Å; E1449-L1451 PolarHBondContact O-N 3.17Å; L1451-S1453 PolarHBondContact O-N 2.98Å; L1451-N1460 HydrophobicContact CD1-CB 3.71Å; L1451-N1460 HydrophobicContact CD2-CB 4.15Å; L1451-N1460 HydrophobicContact CG-CB 4.47Å; L1451-I1565 HydrophobicContact CD1-CD1 3.98Å; L1451-I1565 HydrophobicContact CD1-CG1 4.41Å |
| 1452 | K | 51.7 | Low | 65.3 | Low | 148 Ų | 148 | 79 Ų | 79 | 64% | 0.643 | 42% | 0.423 | S | S | * | . | trans | -69.7 | 74.1 | 167.9 | -77.8 | -179.9 | 162.7 | 161.6 | 0 | 112.5 | E1449 G1450 F1563 | E1449-K1452 VanDerWaalsContact O-CB 3.3Å; E1449-K1452 WeakPolarHBondContact O-CB 3.38Å; E1449-K1452 PolarHBondContact O-N 3.37Å; E1449-K1452 VanDerWaalsContact O-N 3.09Å; G1450-K1452 PolarHBondContact O-N 2.93Å; K1452-F1563 HydrophobicContact CD-CD1 4.08Å; K1452-F1563 HydrophobicContact CD-CE1 3.67Å; K1452-F1563 HydrophobicContact CG-CD1 3.95Å; K1452-F1563 HydrophobicContact CG-CE1 4.03Å; K1452-F1563 VanDerWaalsContact NZ-CE1 3.26Å | ||
| 1453 | S | 50.7 | Low | 65.6 | Low | 64 Ų | 64 | 74.5 Ų | 74.5 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | trans | -109 | 111.5 | 164.7 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | L1451 N1455 | L1451-S1453 PolarHBondContact O-N 2.98Å; S1453-N1455 PolarHBondContact O-N 3.39Å; S1453-N1455 VanDerWaalsContact O-N 3.09Å | ||
| 1454 | P | 46.3 | Very low | 66.1 | Low | 130 Ų | 130 | 69 Ų | 69 | 84% | 0.844 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 0.5 | 179.4 | 29.8 | -35.4 | 0 | 0 | 0 | 114 | ||
| 1455 | N | 41.6 | Very low | 66.7 | Low | 152 Ų | 152 | 69.2 Ų | 69.2 | 81% | 0.813 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | 23.1 | -171.6 | -85 | -20.7 | 0 | 0 | 0 | 114.1 | S1453 | S1453-N1455 PolarHBondContact O-N 3.39Å; S1453-N1455 VanDerWaalsContact O-N 3.09Å |
| 1456 | Q | 43.7 | Very low | 67.1 | Low | 137 Ų | 137 | 68 Ų | 68 | 64% | 0.64 | 37% | 0.365 | S | S | * | . | trans | -130.1 | 123.6 | 167 | -69.3 | -165.6 | 4.4 | 0 | 0 | 112.1 | K1458 | Q1456-K1458 PolarHBondContact O-N 3Š| ||
| 1457 | S | 47 | Very low | 67.6 | Low | 131 Ų | 131 | 59.4 Ų | 59.4 | 92% | 0.916 | 33% | 0.331 | S | S | * | . | trans | -76.1 | 31.9 | 176.3 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1458 | K | 51.6 | Low | 68.2 | Low | 112 Ų | 112 | 57.9 Ų | 57.9 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | trans | -117.9 | 107.1 | -177.6 | -63.2 | -164 | -176.1 | -165.2 | 0 | 110.2 | Q1456 N1460 N1696 | Q1456-K1458 PolarHBondContact O-N 3Å; K1458-N1460 PolarHBondContact O-N 2.91Å; K1458-N1460 PolarHBondContact O-ND2 3.07Å; K1458-N1696 WeakPolarHBondContact CE-OD1 3.4Å; K1458-N1696 PolarHBondContact NZ-OD1 3.5Å | ||
| 1459 | L | 54.9 | Low | 68.5 | Low | 71 Ų | 71 | 57.9 Ų | 57.9 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | trans | -64.3 | 127.9 | 167.4 | -74.3 | 161.9 | 0 | 0 | 0 | 109 | Y1461 N1564 | L1459-Y1461 HydrophobicContact CB-CD2 4.4Å; L1459-Y1461 HydrophobicContact CB-CE2 3.64Å; L1459-Y1461 VanDerWaalsContact O-CD2 3.31Å; L1459-Y1461 WeakPolarHBondContact O-CD2 3.43Å; L1459-Y1461 WeakPolarHBondContact O-CE2 3.5Å; L1459-N1564 WeakPolarHBondContact CD2-ND2 3.27Å | ||
| 1460 | N | 69.7 | Low | 68.7 | Low | 40 Ų | 40 | 54 Ų | 54 | 21% | 0.214 | 31% | 0.306 | C | S | . | . | trans | -92.5 | 137.1 | 177.1 | -66.1 | -80.7 | 0 | 0 | 0 | 108.5 | L1451 K1458 G1566 | L1451-N1460 HydrophobicContact CD1-CB 3.71Å; L1451-N1460 HydrophobicContact CD2-CB 4.15Å; L1451-N1460 HydrophobicContact CG-CB 4.47Å; K1458-N1460 PolarHBondContact O-N 2.91Å; K1458-N1460 PolarHBondContact O-ND2 3.07Å; N1460-G1566 PolarHBondContact O-N 3.44Å | ||
| 1461 | Y | 79.9 | Confident | 68.8 | Low | 19 Ų | 19 | 52.8 Ų | 52.8 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146 | -173.4 | -72.2 | -93.6 | 0 | 0 | 0 | 112.4 | L1459 S1522 G1566 I1568 T1692 | L1459-Y1461 HydrophobicContact CB-CD2 4.4Å; L1459-Y1461 HydrophobicContact CB-CE2 3.64Å; L1459-Y1461 VanDerWaalsContact O-CD2 3.31Å; L1459-Y1461 WeakPolarHBondContact O-CD2 3.43Å; L1459-Y1461 WeakPolarHBondContact O-CE2 3.5Å; Y1461-S1522 PolarHBondContact O-OG 2.86Å; Y1461-G1566 CarbonylContact C-O 3.59Å; Y1461-G1566 VanDerWaalsContact CA-O 3.28Å; Y1461-G1566 WeakPolarHBondContact CA-O 3.48Å; Y1461-I1568 HydrophobicContact CD1-CD1 4.45Å; Y1461-I1568 HydrophobicContact CD1-CG1 3.9Å; Y1461-I1568 HydrophobicContact CG-CD1 4.22Å; Y1461-I1568 HydrophobicContact CG-CG1 4.18Å; Y1461-T1692 WeakPolarHBondContact O-CG2 3.42Å |
| 1462 | I | 86.7 | Confident | 68.6 | Low | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.1 | 172.9 | -59.2 | 175.6 | 0 | 0 | 0 | 107.7 | L1444 I1464 I1520 I1560 I1565 G1566 L1567 I1568 | L1444-I1462 HydrophobicContact CD1-CD1 4.46Å; I1462-I1464 HydrophobicContact CG2-CG1 4.1Å; I1462-I1520 HydrophobicContact CG2-CG2 3.44Å; I1462-I1520 VanDerWaalsContact CG2-CG2 3.44Å; I1462-I1560 HydrophobicContact CD1-CD1 4.49Å; I1462-I1565 HydrophobicContact CD1-CG2 3.82Å; I1462-I1565 HydrophobicContact CG1-CG2 4.01Å; I1462-G1566 PolarHBondContact N-O 3.21Å; I1462-L1567 HydrophobicContact CB-CD2 4.27Å; I1462-L1567 CarbonylContact O-C 3.59Å; I1462-L1567 WeakPolarHBondContact O-CA 3.47Å; I1462-I1568 PolarHBondContact O-N 3.08Å |
| 1463 | A | 89.7 | Confident | 68.6 | Low | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 136.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I1520 S1521 I1568 C1685 L1688 | A1463-I1520 WeakPolarHBondContact O-CA 3.47Å; A1463-S1521 PolarHBondContact N-O 3.32Å; A1463-S1521 PolarHBondContact O-N 2.7Å; A1463-I1568 WeakPolarHBondContact CA-O 3.2Å; A1463-I1568 HydrophobicContact CB-CB 4.3Å; A1463-C1685 PolarHBondContact O-SG 2.9Å; A1463-L1688 HydrophobicContact CB-CB 3.89Å |
| 1464 | I | 91.4 | Very high | 68 | Low | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 132.8 | -179.2 | -60.8 | -169.9 | 0 | 0 | 0 | 109.2 | I1462 L1518 A1519 I1520 F1557 L1567 I1568 W1575 | I1462-I1464 HydrophobicContact CG2-CG1 4.1Å; I1464-L1518 HydrophobicContact CG2-CD1 3.5Å; I1464-L1518 HydrophobicContact CG2-CD2 4.08Å; I1464-L1518 HydrophobicContact CG2-CG 3.88Å; I1464-A1519 WeakPolarHBondContact CA-O 3.46Å; I1464-I1520 HydrophobicContact CG1-CG1 4.41Å; I1464-F1557 HydrophobicContact CD1-CE1 3.67Å; I1464-F1557 HydrophobicContact CD1-CZ 3.8Å; I1464-L1567 HydrophobicContact CD1-CD1 4.31Å; I1464-L1567 HydrophobicContact CD1-CD2 3.57Å; I1464-L1567 HydrophobicContact CD1-CG 4.49Å; I1464-L1567 HydrophobicContact CG1-CD2 4.25Å; I1464-I1568 PolarHBondContact N-O 3.34Å; I1464-W1575 HydrophobicContact CG2-CE3 4.49Å; I1464-W1575 HydrophobicContact CG2-CH2 3.84Å; I1464-W1575 HydrophobicContact CG2-CZ2 4.49Å; I1464-W1575 HydrophobicContact CG2-CZ3 3.82Å |
| 1465 | Q | 92.7 | Very high | 67.5 | Low | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 124.1 | 175.1 | -176.7 | 61.8 | 21.3 | 0 | 0 | 110.9 | A1519 T1681 Q1684 C1685 L1688 | Q1465-A1519 PolarHBondContact N-O 3.12Å; Q1465-A1519 PolarHBondContact O-N 3.27Å; Q1465-T1681 HydrophobicContact CB-CG2 4.18Å; Q1465-T1681 HydrophobicContact CG-CG2 3.69Å; Q1465-Q1684 HydrophobicContact CG-CB 3.94Å; Q1465-C1685 HydrophobicContact CB-CB 3.83Å; Q1465-L1688 HydrophobicContact CB-CD1 4.4Å |
| 1466 | P | 90.2 | Very high | 67.1 | Low | 8 Ų | 8 | 42.9 Ų | 42.9 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 138.8 | 174.3 | 30.9 | -35.7 | 0 | 0 | 0 | 111.9 | W1468 L1515 L1518 I1578 T1681 | P1466-W1468 HydrophobicContact CB-CZ2 4.21Å; P1466-W1468 HydrophobicContact CG-CZ2 4.44Å; P1466-L1515 HydrophobicContact CB-CD1 3.55Å; P1466-L1518 HydrophobicContact CB-CD1 4.37Å; P1466-I1578 HydrophobicContact CB-CD1 3.8Å; P1466-I1578 HydrophobicContact CG-CD1 3.63Å; P1466-T1681 WeakPolarHBondContact O-CG2 3.45Å |
| 1467 | G | 87.4 | Confident | 66.6 | Low | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1515 S1516 G1517 T1681 | G1467-L1515 CarbonylContact O-C 3.56Å; G1467-S1516 PolarHBondContact O-N 3.37Å; G1467-S1516 PolarHBondContact O-OG 2.93Å; G1467-G1517 PolarHBondContact N-O 2.94Å; G1467-T1681 WeakPolarHBondContact CA-OG1 3.43Å |
| 1468 | W | 85.4 | Confident | 65.8 | Low | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147.8 | -168.4 | -64.4 | 103.2 | 0 | 0 | 0 | 112.9 | P1466 W1491 L1513 Y1514 L1515 W1574 I1578 L1582 W1646 I1649 | P1466-W1468 HydrophobicContact CB-CZ2 4.21Å; P1466-W1468 HydrophobicContact CG-CZ2 4.44Å; W1468-W1491 AromaticContact CH2-CE3 3.68Å; W1468-W1491 HydrophobicContact CH2-CE3 3.68Å; W1468-W1491 AromaticContact CH2-CZ3 3.97Å; W1468-W1491 HydrophobicContact CH2-CZ3 3.97Å; W1468-W1491 HydrophobicContact CZ3-CE3 4.09Å; W1468-L1513 HydrophobicContact CB-CD1 4.07Å; W1468-L1513 HydrophobicContact CD2-CD1 4.17Å; W1468-L1513 HydrophobicContact CD2-CG 4.48Å; W1468-L1513 HydrophobicContact CE3-CD1 3.63Å; W1468-L1513 HydrophobicContact CE3-CD2 3.94Å; W1468-L1513 HydrophobicContact CE3-CG 3.61Å; W1468-L1513 HydrophobicContact CG-CD1 4.38Å; W1468-L1513 HydrophobicContact CZ3-CD1 4.42Å; W1468-L1513 HydrophobicContact CZ3-CD2 4Å; W1468-L1513 HydrophobicContact CZ3-CG 3.9Å; W1468-Y1514 WeakPolarHBondContact CA-O 3.47Å; W1468-L1515 HydrophobicContact CD2-CD1 4.22Å; W1468-L1515 HydrophobicContact CE3-CB 4.27Å; W1468-L1515 HydrophobicContact CE3-CD1 4.22Å; W1468-L1515 HydrophobicContact CH2-CB 4.31Å; W1468-L1515 HydrophobicContact CH2-CD1 3.86Å; W1468-L1515 HydrophobicContact CZ2-CD1 3.82Å; W1468-L1515 HydrophobicContact CZ3-CB 3.88Å; W1468-L1515 HydrophobicContact CZ3-CD1 4.06Å; W1468-W1574 AromaticContact CE2-NE1 3.6Å; W1468-W1574 HydrophobicContact CH2-CZ2 4.2Å; W1468-W1574 AromaticContact CH2-NE1 3.85Å; W1468-W1574 AromaticContact CZ2-CD1 3.94Å; W1468-W1574 AromaticContact CZ2-CE2 3.95Å; W1468-W1574 HydrophobicContact CZ2-CZ2 4.3Å; W1468-W1574 AromaticContact CZ2-NE1 3.1Å; W1468-W1574 AromaticContact NE1-NE1 3.9Å; W1468-I1578 HydrophobicContact CH2-CD1 4.33Å; W1468-I1578 HydrophobicContact CH2-CG1 4.05Å; W1468-I1578 HydrophobicContact CZ2-CD1 3.63Å; W1468-I1578 HydrophobicContact CZ2-CG1 3.83Å; W1468-L1582 HydrophobicContact CH2-CD1 4.26Å; W1468-L1582 HydrophobicContact CZ3-CD1 4.47Å; W1468-W1646 HydrophobicContact CB-CZ3 4.29Å; W1468-W1646 AromaticContact CD1-CZ3 3.93Å; W1468-W1646 HydrophobicContact CD2-CH2 4.47Å; W1468-W1646 AromaticContact CD2-CZ3 3.93Å; W1468-W1646 HydrophobicContact CD2-CZ3 3.93Å; W1468-W1646 HydrophobicContact CG-CH2 4.49Å; W1468-W1646 AromaticContact CG-CZ3 3.79Å; W1468-W1646 HydrophobicContact CG-CZ3 3.79Å; W1468-I1649 HydrophobicContact CB-CG2 4.05Å; W1468-I1649 WeakPolarHBondContact O-CG2 3.31Å |
| 1469 | L | 80.5 | Confident | 64.8 | Low | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.2 | 173 | -69.2 | 175.7 | 0 | 0 | 0 | 111.8 | Y1514 L1536 P1650 L1652 C1658 H1677 | L1469-Y1514 PolarHBondContact N-O 3.37Å; L1469-Y1514 PolarHBondContact O-N 3.36Å; L1469-L1536 HydrophobicContact CD1-CD1 3.85Å; L1469-P1650 WeakPolarHBondContact CA-O 3.34Å; L1469-P1650 HydrophobicContact CD2-CB 3.9Å; L1469-P1650 WeakPolarHBondContact CD2-O 3.4Å; L1469-L1652 HydrophobicContact CB-CB 4.41Å; L1469-L1652 HydrophobicContact CD1-CB 4.29Å; L1469-L1652 HydrophobicContact CD1-CD1 4.07Å; L1469-C1658 WeakPolarHBondContact CD1-SG 3.36Å; L1469-H1677 HydrophobicContact CD2-CB 3.95Å |
| 1470 | L | 75.9 | Confident | 63.6 | Low | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.9 | 170.9 | -65.6 | -173.9 | 0 | 0 | 0 | 111.2 | P1499 Y1511 L1513 W1646 P1650 R1651 L1652 | L1470-P1499 HydrophobicContact CD1-CB 3.86Å; L1470-P1499 HydrophobicContact CD1-CG 3.66Å; L1470-P1499 HydrophobicContact CD2-CB 3.86Å; L1470-P1499 HydrophobicContact CD2-CG 3.68Å; L1470-P1499 HydrophobicContact CG-CG 4.3Å; L1470-Y1511 HydrophobicContact CB-CD1 4.05Å; L1470-Y1511 HydrophobicContact CB-CG 4.23Å; L1470-Y1511 HydrophobicContact CD1-CD2 4.45Å; L1470-Y1511 HydrophobicContact CD1-CG 4.24Å; L1470-L1513 HydrophobicContact CD2-CB 4.19Å; L1470-L1513 HydrophobicContact CD2-CD1 3.81Å; L1470-W1646 WeakPolarHBondContact CD1-O 3.49Å; L1470-P1650 PolarHBondContact N-O 3.4Å; L1470-R1651 HydrophobicContact CB-CG 4.19Å; L1470-R1651 CarbonylContact O-C 3.54Å; L1470-R1651 VanDerWaalsContact O-CA 3.26Å; L1470-R1651 WeakPolarHBondContact O-CA 3.29Å; L1470-L1652 PolarHBondContact O-N 2.8Å |
| 1471 | N | 67.9 | Low | 61.9 | Low | 31 Ų | 31 | 45.6 Ų | 45.6 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 159.7 | 174.3 | -168.5 | 25.2 | 0 | 0 | 0 | 111.6 | Y1511 N1512 Y1514 L1652 | N1471-Y1511 WeakPolarHBondContact O-CA 3.44Å; N1471-Y1511 WeakPolarHBondContact O-CB 3.2Å; N1471-N1512 PolarHBondContact N-O 3.38Å; N1471-N1512 PolarHBondContact O-N 3.09Å; N1471-Y1514 HydrophobicContact CB-CD2 3.62Å; N1471-Y1514 HydrophobicContact CB-CE2 3.52Å; N1471-L1652 HydrophobicContact CB-CB 4.36Å; N1471-L1652 HydrophobicContact CB-CD2 4.26Å |
| 1472 | T | 57 | Low | 59.9 | Low | 18 Ų | 18 | 51.7 Ų | 51.7 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | trans | -121.3 | 125.3 | -168.8 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | N1271 T1272 Y1511 | N1271-T1472 HydrophobicContact CB-CG2 4.34Å; N1271-T1472 WeakPolarHBondContact ND2-CG2 3.25Å; N1271-T1472 CarbonylContact O-C 3.57Å; N1271-T1472 WeakPolarHBondContact O-CA 3.1Å; N1271-T1472 WeakPolarHBondContact O-CB 3.3Å; T1272-T1472 PolarHBondContact OG1-OG1 2.94Å; T1472-Y1511 HydrophobicContact CG2-CD1 3.73Å; T1472-Y1511 HydrophobicContact CG2-CE1 3.76Å | ||
| 1473 | N | 50 | Low | 57.2 | Low | 78 Ų | 78 | 60.2 Ų | 60.2 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | trans | -116.6 | 103.6 | 176.4 | -65.7 | 35 | 0 | 0 | 0 | 112.5 | N1271 N1512 | N1271-N1473 PolarHBondContact N-O 3.05Å; N1271-N1473 CarbonylContact O-C 3.45Å; N1271-N1473 WeakPolarHBondContact O-CA 3.36Å; N1271-N1473 PolarHBondContact O-N 3.45Å; N1473-N1512 PolarHBondContact ND2-ND2 3.43Å; N1473-N1512 PolarHBondContact OD1-ND2 2.91Å | ||
| 1474 | S | 39.1 | Very low | 54.3 | Low | 60 Ų | 60 | 64.9 Ų | 64.9 | 42% | 0.42 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | 176.6 | 50.3 | 154.4 | 84.8 | 0 | 0 | 0 | 0 | 117.8 | N1271 T1272 | N1271-S1474 VanDerWaalsContact C-OG 3.29Å; N1271-S1474 WeakPolarHBondContact CA-OG 3.45Å; N1271-S1474 VanDerWaalsContact N-CB 3.33Å; N1271-S1474 PolarHBondContact N-OG 3.29Å; N1271-S1474 PolarHBondContact O-N 3.16Å; T1272-S1474 VanDerWaalsContact N-N 3.17Å; T1272-S1474 PolarHBondContact N-OG 3.23Å; T1272-S1474 CarbonylContact O-C 3.47Å; T1272-S1474 PolarHBondContact O-N 2.77Å |
| 1475 | D | 36.3 | Very low | 51.7 | Low | 76 Ų | 76 | 67.7 Ų | 67.7 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | trans | -103.7 | 87.5 | 136.1 | -46.5 | -17.1 | 0 | 0 | 0 | 107.2 | T1272 S1273 I1274 N1477 | T1272-D1475 PolarHBondContact O-N 3.06Å; T1272-D1475 VanDerWaalsContact O-N 3.17Å; S1273-D1475 VanDerWaalsContact C-OD2 3.27Å; S1273-D1475 WeakPolarHBondContact CA-OD2 3.43Å; S1273-D1475 PolarHBondContact N-OD1 2.72Å; S1273-D1475 PolarHBondContact N-OD2 2.79Å; S1273-D1475 CarbonylContact O-C 3.46Å; S1273-D1475 VanDerWaalsContact O-CA 3.29Å; S1273-D1475 WeakPolarHBondContact O-CA 3.37Å; S1273-D1475 VanDerWaalsContact O-CB 3.24Å; S1273-D1475 WeakPolarHBondContact O-CB 3.27Å; S1273-D1475 PolarHBondContact O-N 3.49Å; I1274-D1475 PolarHBondContact N-OD2 3.27Å; D1475-N1477 PolarHBondContact O-N 2.86Å | ||
| 1476 | S | 32.2 | Very low | 49.3 | Very low | 100 Ų | 100 | 73.3 Ų | 73.3 | 70% | 0.699 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 82.1 | 157.8 | 49.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1477 | N | 32.8 | Very low | 47.4 | Very low | 157 Ų | 157 | 76.5 Ų | 76.5 | 84% | 0.84 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -166.5 | -16.2 | 163.1 | -94.7 | -27.7 | 0 | 0 | 0 | 115.8 | D1475 | D1475-N1477 PolarHBondContact O-N 2.86Š|
| 1478 | N | 30.3 | Very low | 46 | Very low | 101 Ų | 101 | 79.4 Ų | 79.4 | 54% | 0.54 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -127.9 | 25.1 | -172.9 | -95.8 | -12.9 | 0 | 0 | 0 | 114.8 | I1274 I1275 | I1274-N1478 WeakPolarHBondContact O-CB 3.3Å; I1274-N1478 PolarHBondContact O-ND2 2.68Å; I1275-N1478 PolarHBondContact O-ND2 3.37Å |
| 1479 | D | 30.6 | Very low | 45.3 | Very low | 64 Ų | 64 | 79.8 Ų | 79.8 | 34% | 0.342 | 45% | 0.451 | S | S | . | . | trans | -113.7 | 63.6 | -163.7 | -165.7 | 18.4 | 0 | 0 | 0 | 113.6 | R1483 | D1479-R1483 IonicContact OD2-CZ 2.71Å; D1479-R1483 VanDerWaalsContact OD2-CZ 3.28Å; D1479-R1483 IonicContact OD2-NE 2.66Å; D1479-R1483 PolarHBondContact OD2-NE 3.12Å; D1479-R1483 IonicContact OD2-NH2 2.69Å; D1479-R1483 PolarHBondContact OD2-NH2 3.39Å | ||
| 1480 | S | 30.3 | Very low | 45 | Very low | 92 Ų | 92 | 80.4 Ų | 80.4 | 64% | 0.643 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -88.8 | -30.6 | 172 | 51 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1481 | D | 34.2 | Very low | 44.7 | Very low | 133 Ų | 133 | 80.5 Ų | 80.5 | 71% | 0.711 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -99.5 | -19.6 | -158.3 | -70.7 | 18.1 | 0 | 0 | 0 | 113.7 | S1484 | D1481-S1484 PolarHBondContact O-OG 2.88Š|
| 1482 | F | 36.9 | Very low | 44.2 | Very low | 148 Ų | 148 | 86.8 Ų | 86.8 | 65% | 0.649 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -99.4 | -11.5 | -179 | -120.2 | -84.9 | 0 | 0 | 0 | 114.9 | ||
| 1483 | R | 30.6 | Very low | 43.9 | Very low | 184 Ų | 184 | 87.7 Ų | 87.7 | 69% | 0.694 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -87.2 | -2.2 | -178.8 | -66.2 | -169.8 | -178.9 | -155.8 | 1.2 | 115.2 | D1479 | D1479-R1483 IonicContact OD2-CZ 2.71Å; D1479-R1483 VanDerWaalsContact OD2-CZ 3.28Å; D1479-R1483 IonicContact OD2-NE 2.66Å; D1479-R1483 PolarHBondContact OD2-NE 3.12Å; D1479-R1483 IonicContact OD2-NH2 2.69Å; D1479-R1483 PolarHBondContact OD2-NH2 3.39Å |
| 1484 | S | 29.2 | Very low | 44 | Very low | 98 Ų | 98 | 84.9 Ų | 84.9 | 69% | 0.685 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -95.1 | -12.5 | -174.3 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | D1481 | D1481-S1484 PolarHBondContact O-OG 2.88Š|
| 1485 | S | 36.1 | Very low | 44.4 | Very low | 61 Ų | 61 | 82.6 Ų | 82.6 | 43% | 0.427 | 46% | 0.462 | S | S | . | . | trans | -97.7 | 117.9 | 179.9 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | E1487 | S1485-E1487 PolarHBondContact O-N 2.82Å; S1485-E1487 VanDerWaalsContact O-N 3.16Å | ||
| 1486 | S | 41.8 | Very low | 44.7 | Very low | 123 Ų | 123 | 79.1 Ų | 79.1 | 86% | 0.86 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 20 | -176.2 | 46 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1487 | E | 51.7 | Low | 45.3 | Very low | 75 Ų | 75 | 74.7 Ų | 74.7 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | -7.4 | -164 | -54.7 | -165.4 | 170 | 0 | 0 | 115 | S1485 L1489 L1546 R1547 | S1485-E1487 PolarHBondContact O-N 2.82Å; S1485-E1487 VanDerWaalsContact O-N 3.16Å; E1487-L1489 PolarHBondContact O-N 3.13Å; E1487-L1546 HydrophobicContact CB-CD2 4.12Å; E1487-L1546 VanDerWaalsContact O-CD2 3.22Å; E1487-L1546 WeakPolarHBondContact O-CD2 3.47Å; E1487-R1547 WeakPolarHBondContact OE1-CB 3.33Å; E1487-R1547 WeakPolarHBondContact OE1-CD 3.12Å; E1487-R1547 WeakPolarHBondContact OE2-CB 3.33Å; E1487-R1547 PolarHBondContact OE2-N 3.14Å |
| 1488 | S | 56.6 | Low | 46.1 | Very low | 61 Ų | 61 | 68.1 Ų | 68.1 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | trans | -70 | 129.6 | -172.3 | 78 | 0 | 0 | 0 | 0 | 114 | C1490 | S1488-C1490 PolarHBondContact O-N 2.88Š| ||
| 1489 | L | 72.4 | Confident | 46.7 | Very low | 15 Ų | 15 | 63.4 Ų | 63.4 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | trans | -79.6 | 61.7 | -179.3 | -60.4 | 173.2 | 0 | 0 | 0 | 112.4 | E1487 L1515 F1535 L1546 L1550 | E1487-L1489 PolarHBondContact O-N 3.13Å; L1489-L1515 HydrophobicContact CB-CB 4.15Å; L1489-L1515 HydrophobicContact CD1-CD2 4.25Å; L1489-L1515 PolarHBondContact O-N 3.31Å; L1489-L1515 VanDerWaalsContact O-N 3.15Å; L1489-F1535 HydrophobicContact CD1-CB 3.87Å; L1489-F1535 HydrophobicContact CD1-CD1 4.43Å; L1489-F1535 HydrophobicContact CD1-CD2 3.5Å; L1489-F1535 HydrophobicContact CD1-CE2 4.14Å; L1489-F1535 HydrophobicContact CD1-CG 3.69Å; L1489-L1546 HydrophobicContact CD1-CD1 4.41Å; L1489-L1550 HydrophobicContact CD1-CD2 4.09Å; L1489-L1550 HydrophobicContact CD2-CD1 4.1Å; L1489-L1550 HydrophobicContact CD2-CD2 4.29Å | ||
| 1490 | C | 72.4 | Confident | 47.3 | Very low | 14 Ų | 14 | 60.6 Ų | 60.6 | 10% | 0.095 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 124.1 | -179.4 | -173.5 | 0 | 0 | 0 | 0 | 111 | S1488 K1492 Y1514 | S1488-C1490 PolarHBondContact O-N 2.88Å; C1490-K1492 VanDerWaalsContact SG-CE 3.56Å; C1490-Y1514 HydrophobicContact CB-CD1 4.1Å; C1490-Y1514 HydrophobicContact CB-CE1 3.63Å; C1490-Y1514 HydrophobicContact CB-CE2 4.44Å |
| 1491 | W | 70.1 | Confident | 47.9 | Very low | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 125.2 | 175.5 | -158.1 | -75.7 | 0 | 0 | 0 | 111.4 | W1468 S1493 L1513 W1574 R1577 I1578 D1581 L1582 | W1468-W1491 AromaticContact CH2-CE3 3.68Å; W1468-W1491 HydrophobicContact CH2-CE3 3.68Å; W1468-W1491 AromaticContact CH2-CZ3 3.97Å; W1468-W1491 HydrophobicContact CH2-CZ3 3.97Å; W1468-W1491 HydrophobicContact CZ3-CE3 4.09Å; W1491-S1493 PolarHBondContact NE1-O 2.94Å; W1491-S1493 PolarHBondContact NE1-OG 3.23Å; W1491-L1513 HydrophobicContact CB-CB 4.07Å; W1491-L1513 HydrophobicContact CB-CD2 4.21Å; W1491-L1513 HydrophobicContact CB-CG 4.24Å; W1491-L1513 WeakPolarHBondContact CB-O 3.45Å; W1491-L1513 HydrophobicContact CG-CD2 4.46Å; W1491-L1513 PolarHBondContact N-O 2.98Å; W1491-W1574 AromaticContact CD2-CH2 3.8Å; W1491-W1574 HydrophobicContact CD2-CH2 3.8Å; W1491-W1574 AromaticContact CD2-CZ2 3.96Å; W1491-W1574 HydrophobicContact CD2-CZ2 3.96Å; W1491-W1574 AromaticContact CE2-CH2 3.38Å; W1491-W1574 HydrophobicContact CE3-CH2 4.21Å; W1491-W1574 AromaticContact CE3-CZ2 3.98Å; W1491-W1574 HydrophobicContact CE3-CZ2 3.98Å; W1491-W1574 HydrophobicContact CG-CH2 4.43Å; W1491-W1574 AromaticContact CH2-CH2 3.93Å; W1491-W1574 HydrophobicContact CH2-CH2 3.93Å; W1491-W1574 HydrophobicContact CH2-CZ2 4.16Å; W1491-W1574 HydrophobicContact CH2-CZ3 4.24Å; W1491-W1574 AromaticContact CZ2-CH2 3.48Å; W1491-W1574 HydrophobicContact CZ2-CH2 3.48Å; W1491-W1574 VanDerWaalsContact CZ2-CH2 3.48Å; W1491-W1574 HydrophobicContact CZ2-CZ2 4.13Å; W1491-W1574 AromaticContact CZ2-CZ3 3.79Å; W1491-W1574 HydrophobicContact CZ2-CZ3 3.79Å; W1491-W1574 HydrophobicContact CZ3-CH2 4.26Å; W1491-W1574 HydrophobicContact CZ3-CZ2 4.08Å; W1491-W1574 AromaticContact NE1-CH2 3.74Å; W1491-R1577 HydrophobicContact CH2-CB 3.69Å; W1491-R1577 HydrophobicContact CZ2-CB 4.03Å; W1491-I1578 HydrophobicContact CH2-CG1 4.46Å; W1491-I1578 HydrophobicContact CZ3-CG1 3.91Å; W1491-D1581 HydrophobicContact CH2-CB 3.88Å; W1491-D1581 HydrophobicContact CZ2-CB 4Å; W1491-D1581 WeakPolarHBondContact CZ2-OD2 3.45Å; W1491-L1582 HydrophobicContact CE3-CD1 3.57Å; W1491-L1582 HydrophobicContact CE3-CD2 4.31Å; W1491-L1582 HydrophobicContact CE3-CG 3.73Å; W1491-L1582 HydrophobicContact CZ3-CD1 3.73Å; W1491-L1582 HydrophobicContact CZ3-CG 3.72Å |
| 1492 | K | 57 | Low | 48 | Very low | 163 Ų | 163 | 51.8 Ų | 51.8 | 71% | 0.709 | 29% | 0.287 | S | S | * | . | trans | -128.7 | 1.1 | -174.9 | -60.2 | -175.4 | -178.5 | -178.6 | 0 | 114.9 | C1490 | C1490-K1492 VanDerWaalsContact SG-CE 3.56Š| ||
| 1493 | S | 52.2 | Low | 47.7 | Very low | 37 Ų | 37 | 47.8 Ų | 47.8 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -117.6 | 112.1 | -169 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | W1491 R1577 D1581 | W1491-S1493 PolarHBondContact NE1-O 2.94Å; W1491-S1493 PolarHBondContact NE1-OG 3.23Å; S1493-R1577 PolarHBondContact O-NH2 3.21Å; S1493-R1577 PolarHBondContact OG-NH2 3.29Å; S1493-D1581 PolarHBondContact OG-OD2 3.27Å |
| 1494 | G | 51.4 | Low | 47.7 | Very low | 19 Ų | 19 | 39.9 Ų | 39.9 | 20% | 0.196 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 85 | -173.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1496 G1497 | G1494-A1496 VanDerWaalsContact C-N 3.3Å; G1494-A1496 PolarHBondContact O-N 3.39Å; G1494-A1496 VanDerWaalsContact O-N 3.16Å; G1494-G1497 PolarHBondContact O-N 2.88Å |
| 1495 | P | 47.1 | Very low | 47.9 | Very low | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.078 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -57 | -33.7 | -168.5 | -29.4 | 36.2 | 0 | 0 | 0 | 115.6 | G1497 Q1498 V1501 S1865 T1867 M1881 | P1495-G1497 VanDerWaalsContact C-N 3.27Å; P1495-G1497 PolarHBondContact O-N 3.28Å; P1495-Q1498 PolarHBondContact O-N 3.48Å; P1495-V1501 HydrophobicContact CB-CG1 4.1Å; P1495-S1865 WeakPolarHBondContact CD-O 3.33Å; P1495-S1865 WeakPolarHBondContact CG-O 3.5Å; P1495-T1867 HydrophobicContact CB-CG2 4.47Å; P1495-T1867 HydrophobicContact CG-CG2 4.26Å; P1495-M1881 WeakPolarHBondContact CG-O 3.37Å |
| 1496 | A | 43.7 | Very low | 48 | Very low | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -75.3 | -11.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1494 Q1498 L1513 W1574 | G1494-A1496 VanDerWaalsContact C-N 3.3Å; G1494-A1496 PolarHBondContact O-N 3.39Å; G1494-A1496 VanDerWaalsContact O-N 3.16Å; A1496-Q1498 VanDerWaalsContact C-N 3.27Å; A1496-Q1498 PolarHBondContact O-N 3.4Å; A1496-L1513 WeakPolarHBondContact O-CD2 3.18Å; A1496-W1574 HydrophobicContact CB-CH2 3.4Å; A1496-W1574 HydrophobicContact CB-CZ2 4.04Å; A1496-W1574 HydrophobicContact CB-CZ3 3.87Å |
| 1497 | G | 44.1 | Very low | 47.8 | Very low | 7 Ų | 7 | 40.9 Ų | 40.9 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -72.3 | -16.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1494 P1495 | G1494-G1497 PolarHBondContact O-N 2.88Å; P1495-G1497 VanDerWaalsContact C-N 3.27Å; P1495-G1497 PolarHBondContact O-N 3.28Å |
| 1498 | Q | 50.2 | Low | 47.4 | Very low | 20 Ų | 20 | 38.2 Ų | 38.2 | 9% | 0.093 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -126.8 | 107.1 | 170.7 | -67.3 | -173.7 | 23.7 | 0 | 0 | 108.8 | P1495 A1496 T1500 V1501 L1851 | P1495-Q1498 PolarHBondContact O-N 3.48Å; A1496-Q1498 VanDerWaalsContact C-N 3.27Å; A1496-Q1498 PolarHBondContact O-N 3.4Å; Q1498-T1500 PolarHBondContact O-N 2.81Å; Q1498-V1501 HydrophobicContact CB-CG2 4.1Å; Q1498-V1501 WeakPolarHBondContact O-CG2 3.48Å; Q1498-V1501 PolarHBondContact O-N 2.85Å; Q1498-L1851 PolarHBondContact NE2-O 3.27Å |
| 1499 | P | 42.8 | Very low | 46.8 | Very low | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -10.6 | -164.7 | 31.4 | -40.7 | 0 | 0 | 0 | 114.7 | L1470 V1501 Y1511 W1646 | L1470-P1499 HydrophobicContact CD1-CB 3.86Å; L1470-P1499 HydrophobicContact CD1-CG 3.66Å; L1470-P1499 HydrophobicContact CD2-CB 3.86Å; L1470-P1499 HydrophobicContact CD2-CG 3.68Å; L1470-P1499 HydrophobicContact CG-CG 4.3Å; P1499-V1501 VanDerWaalsContact C-N 3.27Å; P1499-Y1511 WeakPolarHBondContact CD-O 3.3Å; P1499-Y1511 HydrophobicContact CG-CD2 3.68Å; P1499-Y1511 HydrophobicContact CG-CG 4.05Å; P1499-W1646 HydrophobicContact CB-CB 3.37Å |
| 1500 | T | 42.3 | Very low | 46 | Very low | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -19.6 | 172.7 | 44.2 | 0 | 0 | 0 | 0 | 113.1 | V1268 Q1498 | V1268-T1500 HydrophobicContact CG1-CG2 4.33Å; V1268-T1500 HydrophobicContact CG2-CG2 4.41Å; Q1498-T1500 PolarHBondContact O-N 2.81Å |
| 1501 | V | 43.4 | Very low | 45.4 | Very low | 29 Ų | 29 | 38 Ų | 38 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -78.6 | -21.2 | -176.7 | -172 | 0 | 0 | 0 | 0 | 112.3 | P1495 Q1498 P1499 G1503 L1851 M1881 | P1495-V1501 HydrophobicContact CB-CG1 4.1Å; Q1498-V1501 HydrophobicContact CB-CG2 4.1Å; Q1498-V1501 WeakPolarHBondContact O-CG2 3.48Å; Q1498-V1501 PolarHBondContact O-N 2.85Å; P1499-V1501 VanDerWaalsContact C-N 3.27Å; V1501-G1503 PolarHBondContact O-N 3.09Å; V1501-L1851 HydrophobicContact CG2-CD1 3.7Å; V1501-M1881 WeakPolarHBondContact O-CE 3.4Å |
| 1502 | G | 36.4 | Very low | 45.2 | Very low | 11 Ų | 11 | 40 Ų | 40 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -71.1 | 38.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116 | G1504 D1645 | G1502-G1504 VanDerWaalsContact C-N 3.28Å; G1502-G1504 PolarHBondContact O-N 3.43Å; G1502-D1645 VanDerWaalsContact O-CA 3.28Å; G1502-D1645 WeakPolarHBondContact O-CA 3.31Å; G1502-D1645 PolarHBondContact O-N 3.26Å |
| 1503 | G | 31.1 | Very low | 46 | Very low | 63 Ų | 63 | 32.2 Ų | 32.2 | 65% | 0.649 | 20% | 0.202 | S | C | * | . | S | Bend | trans | 82.3 | -3.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V1501 | V1501-G1503 PolarHBondContact O-N 3.09Š|
| 1504 | G | 29.6 | Very low | 47.2 | Very low | 19 Ų | 19 | 32.3 Ų | 32.3 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | trans | -63.6 | 154.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1502 | G1502-G1504 VanDerWaalsContact C-N 3.28Å; G1502-G1504 PolarHBondContact O-N 3.43Å | ||
| 1505 | K | 34.1 | Very low | 48.7 | Very low | 135 Ų | 135 | 31.5 Ų | 31.5 | 59% | 0.587 | 19% | 0.188 | S | C | * | . | trans | -65.7 | 151 | 169 | -85.4 | -179.9 | 169.7 | 170.2 | 0 | 110.4 | T1507 | K1505-T1507 PolarHBondContact O-N 3.32Š| ||
| 1506 | N | 37.7 | Very low | 50.5 | Low | 89 Ų | 89 | 31 Ų | 31 | 48% | 0.476 | 19% | 0.185 | S | C | . | . | trans | -62.9 | 99.8 | 166.1 | -92 | -13.4 | 0 | 0 | 0 | 110.3 | V1268 | V1268-N1506 VanDerWaalsContact CG2-CA 3.45Å; V1268-N1506 HydrophobicContact CG2-CB 3.61Å; V1268-N1506 WeakPolarHBondContact CG2-OD1 3.46Å | ||
| 1507 | T | 37.3 | Very low | 52.6 | Low | 79 Ų | 79 | 30.9 Ų | 30.9 | 49% | 0.485 | 18% | 0.184 | S | C | . | . | trans | -84.9 | -15.4 | -172.9 | 45.4 | 0 | 0 | 0 | 0 | 115.6 | V1268 K1505 T1509 | V1268-T1507 VanDerWaalsContact CG2-N 3.34Å; K1505-T1507 PolarHBondContact O-N 3.32Å; T1507-T1509 PolarHBondContact OG1-OG1 3.48Å | ||
| 1508 | G | 42.6 | Very low | 54.8 | Low | 19 Ų | 19 | 30.7 Ų | 30.7 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 94.5 | 4.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V1268 S1269 N1270 | V1268-G1508 VanDerWaalsContact CG2-N 3.25Å; S1269-G1508 CarbonylContact C-O 3.53Å; S1269-G1508 WeakPolarHBondContact CA-O 3.32Å; N1270-G1508 PolarHBondContact N-O 3.11Å; N1270-G1508 PolarHBondContact OD1-O 3.25Å |
| 1509 | T | 45.6 | Very low | 56.8 | Low | 18 Ų | 18 | 29.8 Ų | 29.8 | 11% | 0.11 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -134.8 | 118.3 | -159.1 | 61 | 0 | 0 | 0 | 0 | 116.7 | N1270 T1507 Y1511 | N1270-T1509 HydrophobicContact CB-CG2 4.5Å; N1270-T1509 VanDerWaalsContact ND2-CG2 3.26Å; N1270-T1509 WeakPolarHBondContact ND2-CG2 3.3Å; T1507-T1509 PolarHBondContact OG1-OG1 3.48Å; T1509-Y1511 WeakPolarHBondContact CB-OH 3.49Å; T1509-Y1511 VanDerWaalsContact O-CD2 3.31Å; T1509-Y1511 WeakPolarHBondContact O-CD2 3.45Å; T1509-Y1511 VanDerWaalsContact O-CE2 3.31Å; T1509-Y1511 WeakPolarHBondContact O-CE2 3.45Å; T1509-Y1511 WeakPolarHBondContact OG1-CE2 3.46Å; T1509-Y1511 VanDerWaalsContact OG1-CZ 3.31Å; T1509-Y1511 PolarHBondContact OG1-OH 3.09Å |
| 1510 | Y | 55.3 | Low | 59.1 | Low | 57 Ų | 57 | 30 Ų | 30 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | trans | -85.1 | 138.7 | -174.3 | -79.3 | -66.7 | 0 | 0 | 0 | 105 | V1268 S1269 N1270 N1271 I1854 | V1268-Y1510 PolarHBondContact O-OH 2.86Å; S1269-Y1510 WeakPolarHBondContact O-CD2 3.13Å; S1269-Y1510 VanDerWaalsContact O-CE2 3.24Å; S1269-Y1510 WeakPolarHBondContact O-CE2 3.47Å; S1269-Y1510 WeakPolarHBondContact OG-CD1 3.1Å; S1269-Y1510 WeakPolarHBondContact OG-CD2 3.2Å; S1269-Y1510 WeakPolarHBondContact OG-CE1 3.31Å; S1269-Y1510 VanDerWaalsContact OG-CZ 3.3Å; N1270-Y1510 WeakPolarHBondContact O-CB 3.42Å; N1270-Y1510 WeakPolarHBondContact O-CD2 3.41Å; N1270-Y1510 PolarHBondContact O-N 3.24Å; N1271-Y1510 WeakPolarHBondContact CB-O 3.34Å; N1271-Y1510 PolarHBondContact ND2-O 3.36Å; Y1510-I1854 HydrophobicContact CE2-CG2 4.45Å; Y1510-I1854 WeakPolarHBondContact OH-CD1 3.33Å; Y1510-I1854 VanDerWaalsContact OH-CG2 3.24Å; Y1510-I1854 WeakPolarHBondContact OH-CG2 3.33Å | ||
| 1511 | Y | 59.3 | Low | 61.4 | Low | 11 Ų | 11 | 29.9 Ų | 29.9 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | trans | -135.9 | 140.9 | 169.6 | -51.1 | -92.7 | 0 | 0 | 0 | 109.5 | N1271 L1470 N1471 T1472 P1499 T1509 R1651 | N1271-Y1511 WeakPolarHBondContact ND2-CD1 3.12Å; N1271-Y1511 WeakPolarHBondContact ND2-CE1 3.37Å; L1470-Y1511 HydrophobicContact CB-CD1 4.05Å; L1470-Y1511 HydrophobicContact CB-CG 4.23Å; L1470-Y1511 HydrophobicContact CD1-CD2 4.45Å; L1470-Y1511 HydrophobicContact CD1-CG 4.24Å; N1471-Y1511 WeakPolarHBondContact O-CA 3.44Å; N1471-Y1511 WeakPolarHBondContact O-CB 3.2Å; T1472-Y1511 HydrophobicContact CG2-CD1 3.73Å; T1472-Y1511 HydrophobicContact CG2-CE1 3.76Å; P1499-Y1511 WeakPolarHBondContact CD-O 3.3Å; P1499-Y1511 HydrophobicContact CG-CD2 3.68Å; P1499-Y1511 HydrophobicContact CG-CG 4.05Å; T1509-Y1511 WeakPolarHBondContact CB-OH 3.49Å; T1509-Y1511 VanDerWaalsContact O-CD2 3.31Å; T1509-Y1511 WeakPolarHBondContact O-CD2 3.45Å; T1509-Y1511 VanDerWaalsContact O-CE2 3.31Å; T1509-Y1511 WeakPolarHBondContact O-CE2 3.45Å; T1509-Y1511 WeakPolarHBondContact OG1-CE2 3.46Å; T1509-Y1511 VanDerWaalsContact OG1-CZ 3.31Å; T1509-Y1511 PolarHBondContact OG1-OH 3.09Å; Y1511-R1651 PolarHBondContact OH-NH1 3.39Å; Y1511-R1651 VanDerWaalsContact OH-NH1 3.13Å; Y1511-R1651 PolarHBondContact OH-NH2 3.3Å | ||
| 1512 | N | 65.3 | Low | 63.2 | Low | 43 Ų | 43 | 28.7 Ų | 28.7 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 131.3 | 165.9 | -71.8 | -52 | 0 | 0 | 0 | 108 | N1471 N1473 Y1514 | N1471-N1512 PolarHBondContact N-O 3.38Å; N1471-N1512 PolarHBondContact O-N 3.09Å; N1473-N1512 PolarHBondContact ND2-ND2 3.43Å; N1473-N1512 PolarHBondContact OD1-ND2 2.91Å; N1512-Y1514 HydrophobicContact CB-CD2 4.12Å; N1512-Y1514 HydrophobicContact CB-CE2 3.54Å; N1512-Y1514 WeakPolarHBondContact O-CD2 3.44Å |
| 1513 | L | 74.2 | Confident | 64.8 | Low | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 127.5 | 175.3 | 175.4 | 66.6 | 0 | 0 | 0 | 109.6 | W1468 L1470 W1491 A1496 W1574 W1646 | W1468-L1513 HydrophobicContact CB-CD1 4.07Å; W1468-L1513 HydrophobicContact CD2-CD1 4.17Å; W1468-L1513 HydrophobicContact CD2-CG 4.48Å; W1468-L1513 HydrophobicContact CE3-CD1 3.63Å; W1468-L1513 HydrophobicContact CE3-CD2 3.94Å; W1468-L1513 HydrophobicContact CE3-CG 3.61Å; W1468-L1513 HydrophobicContact CG-CD1 4.38Å; W1468-L1513 HydrophobicContact CZ3-CD1 4.42Å; W1468-L1513 HydrophobicContact CZ3-CD2 4Å; W1468-L1513 HydrophobicContact CZ3-CG 3.9Å; L1470-L1513 HydrophobicContact CD2-CB 4.19Å; L1470-L1513 HydrophobicContact CD2-CD1 3.81Å; W1491-L1513 HydrophobicContact CB-CB 4.07Å; W1491-L1513 HydrophobicContact CB-CD2 4.21Å; W1491-L1513 HydrophobicContact CB-CG 4.24Å; W1491-L1513 WeakPolarHBondContact CB-O 3.45Å; W1491-L1513 HydrophobicContact CG-CD2 4.46Å; W1491-L1513 PolarHBondContact N-O 2.98Å; A1496-L1513 WeakPolarHBondContact O-CD2 3.18Å; L1513-W1574 HydrophobicContact CD2-CZ2 4.2Å; L1513-W1646 HydrophobicContact CD1-CE3 3.66Å; L1513-W1646 HydrophobicContact CD1-CZ3 3.9Å; L1513-W1646 HydrophobicContact CD2-CD2 4.3Å; L1513-W1646 HydrophobicContact CD2-CE3 3.61Å; L1513-W1646 HydrophobicContact CD2-CH2 4.38Å; L1513-W1646 HydrophobicContact CD2-CZ3 3.67Å; L1513-W1646 HydrophobicContact CG-CE3 4.31Å; L1513-W1646 HydrophobicContact CG-CZ3 4.43Å |
| 1514 | Y | 77.4 | Confident | 66.7 | Low | 38 Ų | 38 | 31.5 Ų | 31.5 | 15% | 0.149 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.7 | -179.7 | -78.8 | -98.9 | 0 | 0 | 0 | 111.5 | W1468 L1469 N1471 C1490 N1512 S1516 | W1468-Y1514 WeakPolarHBondContact CA-O 3.47Å; L1469-Y1514 PolarHBondContact N-O 3.37Å; L1469-Y1514 PolarHBondContact O-N 3.36Å; N1471-Y1514 HydrophobicContact CB-CD2 3.62Å; N1471-Y1514 HydrophobicContact CB-CE2 3.52Å; C1490-Y1514 HydrophobicContact CB-CD1 4.1Å; C1490-Y1514 HydrophobicContact CB-CE1 3.63Å; C1490-Y1514 HydrophobicContact CB-CE2 4.44Å; N1512-Y1514 HydrophobicContact CB-CD2 4.12Å; N1512-Y1514 HydrophobicContact CB-CE2 3.54Å; N1512-Y1514 WeakPolarHBondContact O-CD2 3.44Å; Y1514-S1516 PolarHBondContact O-N 2.97Å |
| 1515 | L | 83.8 | Confident | 68.7 | Low | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 104.9 | 169.8 | -173.5 | 71.2 | 0 | 0 | 0 | 108.8 | P1466 G1467 W1468 L1489 F1535 I1578 L1582 | P1466-L1515 HydrophobicContact CB-CD1 3.55Å; G1467-L1515 CarbonylContact O-C 3.56Å; W1468-L1515 HydrophobicContact CD2-CD1 4.22Å; W1468-L1515 HydrophobicContact CE3-CB 4.27Å; W1468-L1515 HydrophobicContact CE3-CD1 4.22Å; W1468-L1515 HydrophobicContact CH2-CB 4.31Å; W1468-L1515 HydrophobicContact CH2-CD1 3.86Å; W1468-L1515 HydrophobicContact CZ2-CD1 3.82Å; W1468-L1515 HydrophobicContact CZ3-CB 3.88Å; W1468-L1515 HydrophobicContact CZ3-CD1 4.06Å; L1489-L1515 HydrophobicContact CB-CB 4.15Å; L1489-L1515 HydrophobicContact CD1-CD2 4.25Å; L1489-L1515 PolarHBondContact O-N 3.31Å; L1489-L1515 VanDerWaalsContact O-N 3.15Å; L1515-F1535 HydrophobicContact CD2-CD2 3.97Å; L1515-F1535 HydrophobicContact CD2-CE2 3.7Å; L1515-F1535 HydrophobicContact CG-CD2 3.92Å; L1515-F1535 HydrophobicContact CG-CE2 3.98Å; L1515-I1578 HydrophobicContact CD2-CG2 4.09Å; L1515-L1582 HydrophobicContact CB-CD1 3.93Å; L1515-L1582 HydrophobicContact CD2-CD1 3.95Å |
| 1516 | S | 84.3 | Confident | 70.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -15.3 | -174.1 | 72.9 | 0 | 0 | 0 | 0 | 114 | G1467 Y1514 H1534 F1535 H1677 | G1467-S1516 PolarHBondContact O-N 3.37Å; G1467-S1516 PolarHBondContact O-OG 2.93Å; Y1514-S1516 PolarHBondContact O-N 2.97Å; S1516-H1534 PolarHBondContact O-ND1 3.22Å; S1516-F1535 PolarHBondContact O-N 2.99Å; S1516-H1677 PolarHBondContact OG-CD2 3.25Å; S1516-H1677 PolarHBondContact OG-NE2 3.48Å |
| 1517 | G | 87.8 | Confident | 72.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.7 | -174.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1467 W1532 I1533 F1535 | G1467-G1517 PolarHBondContact N-O 2.94Å; G1517-W1532 VanDerWaalsContact CA-CH2 3.48Å; G1517-I1533 CarbonylContact C-O 3.57Å; G1517-I1533 WeakPolarHBondContact CA-O 2.93Å; G1517-F1535 VanDerWaalsContact CA-CD2 3.43Å |
| 1518 | L | 90.4 | Very high | 74.8 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 123.1 | -178.8 | -165.7 | 67.6 | 0 | 0 | 0 | 109.7 | I1464 P1466 I1520 I1533 F1535 F1557 W1575 | I1464-L1518 HydrophobicContact CG2-CD1 3.5Å; I1464-L1518 HydrophobicContact CG2-CD2 4.08Å; I1464-L1518 HydrophobicContact CG2-CG 3.88Å; P1466-L1518 HydrophobicContact CB-CD1 4.37Å; L1518-I1520 HydrophobicContact CD2-CD1 4.19Å; L1518-I1520 HydrophobicContact CD2-CG1 4.31Å; L1518-I1520 HydrophobicContact CG-CG1 4.29Å; L1518-I1533 HydrophobicContact CB-CB 4.37Å; L1518-I1533 PolarHBondContact N-O 3.26Å; L1518-I1533 PolarHBondContact O-N 3.24Å; L1518-F1535 HydrophobicContact CB-CE2 4.15Å; L1518-F1535 HydrophobicContact CB-CZ 3.88Å; L1518-F1557 HydrophobicContact CD2-CE2 4.31Å; L1518-F1557 HydrophobicContact CD2-CZ 4.16Å; L1518-W1575 HydrophobicContact CD1-CH2 4.3Å; L1518-W1575 HydrophobicContact CD1-CZ3 3.88Å; L1518-W1575 HydrophobicContact CD2-CH2 4.44Å |
| 1519 | A | 92.2 | Very high | 76.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1464 Q1465 V1530 W1532 T1681 C1685 | I1464-A1519 WeakPolarHBondContact CA-O 3.46Å; Q1465-A1519 PolarHBondContact N-O 3.12Å; Q1465-A1519 PolarHBondContact O-N 3.27Å; A1519-V1530 HydrophobicContact CB-CG1 4.01Å; A1519-W1532 HydrophobicContact CB-CE3 4.02Å; A1519-W1532 HydrophobicContact CB-CZ3 4.28Å; A1519-T1681 HydrophobicContact CB-CG2 4.03Å; A1519-C1685 VanDerWaalsContact C-SG 3.59Å; A1519-C1685 HydrophobicContact CB-CB 3.65Å; A1519-C1685 PolarHBondContact O-SG 2.72Å |
| 1520 | I | 92 | Very high | 78.9 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.1 | 179.1 | -58 | -171.6 | 0 | 0 | 0 | 109.5 | I1462 A1463 I1464 L1518 F1531 I1533 | I1462-I1520 HydrophobicContact CG2-CG2 3.44Å; I1462-I1520 VanDerWaalsContact CG2-CG2 3.44Å; A1463-I1520 WeakPolarHBondContact O-CA 3.47Å; I1464-I1520 HydrophobicContact CG1-CG1 4.41Å; L1518-I1520 HydrophobicContact CD2-CD1 4.19Å; L1518-I1520 HydrophobicContact CD2-CG1 4.31Å; L1518-I1520 HydrophobicContact CG-CG1 4.29Å; I1520-F1531 PolarHBondContact N-O 3.35Å; I1520-F1531 PolarHBondContact O-N 3.48Å; I1520-I1533 HydrophobicContact CD1-CD1 3.62Å; I1520-I1533 HydrophobicContact CG1-CD1 4.32Å |
| 1521 | S | 89.6 | Confident | 80.7 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 141.2 | 174.5 | -172 | 0 | 0 | 0 | 0 | 112.4 | A1463 A1529 | A1463-S1521 PolarHBondContact N-O 3.32Å; A1463-S1521 PolarHBondContact O-N 2.7Å; S1521-A1529 PolarHBondContact OG-O 3.48Å |
| 1522 | S | 81.3 | Confident | 82.2 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | trans | -149.1 | 135.9 | 164 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | Y1461 H1524 L1525 K1526 | Y1461-S1522 PolarHBondContact O-OG 2.86Å; S1522-H1524 PolarHBondContact O-N 3.48Å; S1522-H1524 VanDerWaalsContact O-N 3.13Å; S1522-L1525 PolarHBondContact O-N 2.83Å; S1522-K1526 PolarHBondContact O-N 3.28Å | ||
| 1523 | V | 70 | Confident | 83.4 | Confident | 42 Ų | 42 | 27.9 Ų | 27.9 | 26% | 0.255 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.1 | 178.6 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | K1527 T1693 | V1523-K1527 HydrophobicContact CG1-CG 4.38Å; V1523-T1693 HydrophobicContact CB-CG2 4.06Å; V1523-T1693 HydrophobicContact CG1-CG2 3.97Å; V1523-T1693 HydrophobicContact CG2-CG2 3.9Å |
| 1524 | H | 70.1 | Confident | 83.9 | Confident | 92 Ų | 92 | 29.4 Ų | 29.4 | 43% | 0.426 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -25.4 | 176.5 | -59.3 | -78.7 | 0 | 0 | 0 | 113.8 | H1447 S1522 | H1447-H1524 PolarHBondContact CE1-O 2.88Å; S1522-H1524 PolarHBondContact O-N 3.48Å; S1522-H1524 VanDerWaalsContact O-N 3.13Å |
| 1525 | L | 72.6 | Confident | 84.1 | Confident | 37 Ų | 37 | 28 Ų | 28 | 19% | 0.194 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -55.9 | 176.2 | -141.4 | 90.7 | 0 | 0 | 0 | 110.2 | F1440 L1444 H1447 S1522 F1531 | F1440-L1525 HydrophobicContact CE2-CD2 4.19Å; L1444-L1525 HydrophobicContact CD1-CD1 3.5Å; L1444-L1525 HydrophobicContact CD1-CD2 4.19Å; H1447-L1525 HydrophobicContact CB-CD1 3.63Å; H1447-L1525 VanDerWaalsContact CG-CD1 3.48Å; S1522-L1525 PolarHBondContact O-N 2.83Å; L1525-F1531 HydrophobicContact CB-CE2 4.35Å; L1525-F1531 HydrophobicContact CD2-CD2 3.98Å; L1525-F1531 HydrophobicContact CD2-CE2 3.51Å; L1525-F1531 HydrophobicContact CD2-CZ 3.87Å; L1525-F1531 HydrophobicContact CG-CE2 4.47Å |
| 1526 | K | 77.2 | Confident | 83.4 | Confident | 116 Ų | 116 | 29.9 Ų | 29.9 | 50% | 0.504 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -159.9 | 113.5 | 175.8 | -175.2 | 171.7 | -176.9 | 173.6 | 0 | 108.5 | S1522 N1528 A1529 F1531 | S1522-K1526 PolarHBondContact O-N 3.28Å; K1526-N1528 PolarHBondContact O-N 2.63Å; K1526-A1529 HydrophobicContact CB-CB 3.9Å; K1526-A1529 HydrophobicContact CD-CB 3.9Å; K1526-A1529 HydrophobicContact CG-CB 3.79Å; K1526-A1529 PolarHBondContact O-N 3.06Å; K1526-F1531 HydrophobicContact CB-CE2 4.3Å; K1526-F1531 HydrophobicContact CB-CZ 3.96Å; K1526-F1531 HydrophobicContact CD-CZ 4.3Å |
| 1527 | K | 76.8 | Confident | 82 | Confident | 157 Ų | 157 | 33.7 Ų | 33.7 | 68% | 0.683 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 134.2 | 179 | -177.5 | 174.7 | 178.6 | -175 | 0 | 110.4 | V1523 A1529 | V1523-K1527 HydrophobicContact CG1-CG 4.38Å; K1527-A1529 VanDerWaalsContact C-N 3.31Å; K1527-A1529 PolarHBondContact O-N 3.41Å |
| 1528 | N | 83.4 | Confident | 80.3 | Confident | 72 Ų | 72 | 37.6 Ų | 37.6 | 39% | 0.385 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 34.1 | -178.2 | -59.4 | 17.5 | 0 | 0 | 0 | 114.6 | I1424 F1425 S1426 K1526 | I1424-N1528 PolarHBondContact O-ND2 3.27Å; F1425-N1528 CarbonylContact C-O 3.52Å; F1425-N1528 WeakPolarHBondContact CA-O 3.41Å; S1426-N1528 PolarHBondContact N-O 3.06Å; S1426-N1528 PolarHBondContact OG-O 3.08Å; K1526-N1528 PolarHBondContact O-N 2.63Å |
| 1529 | A | 84.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 147.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | S1426 S1521 K1526 K1527 F1531 | S1426-A1529 CarbonylContact O-C 3.07Å; S1426-A1529 WeakPolarHBondContact O-CA 3.47Å; S1521-A1529 PolarHBondContact OG-O 3.48Å; K1526-A1529 HydrophobicContact CB-CB 3.9Å; K1526-A1529 HydrophobicContact CD-CB 3.9Å; K1526-A1529 HydrophobicContact CG-CB 3.79Å; K1526-A1529 PolarHBondContact O-N 3.06Å; K1527-A1529 VanDerWaalsContact C-N 3.31Å; K1527-A1529 PolarHBondContact O-N 3.41Å; A1529-F1531 HydrophobicContact CB-CE2 4.2Å; A1529-F1531 HydrophobicContact CB-CZ 4.29Å |
| 1530 | V | 89 | Confident | 76.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.4 | 170.7 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | F1425 S1426 I1427 V1428 A1519 C1685 F1686 | F1425-V1530 HydrophobicContact CD2-CB 4.34Å; F1425-V1530 HydrophobicContact CD2-CG2 3.62Å; F1425-V1530 HydrophobicContact CE2-CG2 4.07Å; S1426-V1530 PolarHBondContact O-N 3.36Å; I1427-V1530 CarbonylContact C-O 3.59Å; I1427-V1530 WeakPolarHBondContact CA-O 3.29Å; V1428-V1530 PolarHBondContact N-O 2.98Å; A1519-V1530 HydrophobicContact CB-CG1 4.01Å; V1530-C1685 HydrophobicContact CG1-CB 4.15Å; V1530-F1686 HydrophobicContact CG2-CB 3.87Å; V1530-F1686 HydrophobicContact CG2-CD2 4.31Å |
| 1531 | F | 92.2 | Very high | 74.7 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.6 | 179.8 | -58.3 | -90.4 | 0 | 0 | 0 | 108.5 | V1428 V1430 F1440 I1520 L1525 K1526 A1529 | V1428-F1531 HydrophobicContact CB-CD1 4Å; V1428-F1531 HydrophobicContact CB-CE1 4.39Å; V1428-F1531 HydrophobicContact CG1-CD1 4.29Å; V1428-F1531 HydrophobicContact CG2-CE1 4.47Å; V1428-F1531 WeakPolarHBondContact O-CA 3.18Å; V1430-F1531 HydrophobicContact CG1-CB 4.16Å; V1430-F1531 HydrophobicContact CG1-CD1 3.75Å; V1430-F1531 HydrophobicContact CG1-CG 4.44Å; F1440-F1531 HydrophobicContact CD2-CB 4.42Å; F1440-F1531 AromaticContact CD2-CD1 3.66Å; F1440-F1531 HydrophobicContact CD2-CD1 3.66Å; F1440-F1531 HydrophobicContact CD2-CE1 4.11Å; F1440-F1531 HydrophobicContact CD2-CG 4.09Å; F1440-F1531 HydrophobicContact CE2-CB 3.64Å; F1440-F1531 AromaticContact CE2-CD1 3.57Å; F1440-F1531 HydrophobicContact CE2-CD1 3.57Å; F1440-F1531 HydrophobicContact CE2-CD2 4.11Å; F1440-F1531 HydrophobicContact CE2-CE1 4.22Å; F1440-F1531 AromaticContact CE2-CG 3.48Å; F1440-F1531 HydrophobicContact CE2-CG 3.48Å; F1440-F1531 VanDerWaalsContact CE2-CG 3.48Å; F1440-F1531 HydrophobicContact CZ-CB 3.9Å; F1440-F1531 HydrophobicContact CZ-CG 4.25Å; I1520-F1531 PolarHBondContact N-O 3.35Å; I1520-F1531 PolarHBondContact O-N 3.48Å; L1525-F1531 HydrophobicContact CB-CE2 4.35Å; L1525-F1531 HydrophobicContact CD2-CD2 3.98Å; L1525-F1531 HydrophobicContact CD2-CE2 3.51Å; L1525-F1531 HydrophobicContact CD2-CZ 3.87Å; L1525-F1531 HydrophobicContact CG-CE2 4.47Å; K1526-F1531 HydrophobicContact CB-CE2 4.3Å; K1526-F1531 HydrophobicContact CB-CZ 3.96Å; K1526-F1531 HydrophobicContact CD-CZ 4.3Å; A1529-F1531 HydrophobicContact CB-CE2 4.2Å; A1529-F1531 HydrophobicContact CB-CZ 4.29Å |
| 1532 | W | 91.4 | Very high | 73.2 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120.9 | 178.3 | 175.7 | -104.4 | 0 | 0 | 0 | 110.4 | I1427 V1428 N1429 V1430 G1517 A1519 H1534 H1677 V1678 T1681 | I1427-W1532 HydrophobicContact CG2-CB 4.17Å; V1428-W1532 PolarHBondContact O-N 3.35Å; N1429-W1532 WeakPolarHBondContact CA-O 3.43Å; V1430-W1532 WeakPolarHBondContact CG2-O 3.44Å; V1430-W1532 PolarHBondContact N-O 2.89Å; G1517-W1532 VanDerWaalsContact CA-CH2 3.48Å; A1519-W1532 HydrophobicContact CB-CE3 4.02Å; A1519-W1532 HydrophobicContact CB-CZ3 4.28Å; W1532-H1534 AromaticContact CZ2-ND1 3.98Å; W1532-H1534 AromaticContact NE1-CG 3.71Å; W1532-H1534 AromaticContact NE1-ND1 3.53Å; W1532-H1677 AromaticContact CZ2-NE2 3.85Å; W1532-V1678 HydrophobicContact CB-CG1 4.06Å; W1532-V1678 HydrophobicContact CD2-CB 4.39Å; W1532-V1678 HydrophobicContact CD2-CG1 3.56Å; W1532-V1678 HydrophobicContact CD2-CG2 4.25Å; W1532-V1678 HydrophobicContact CE3-CG1 4.06Å; W1532-V1678 HydrophobicContact CG-CG1 3.53Å; W1532-V1678 HydrophobicContact CH2-CG2 4.47Å; W1532-V1678 HydrophobicContact CZ2-CG2 3.76Å; W1532-T1681 HydrophobicContact CZ3-CG2 3.96Å |
| 1533 | I | 90.1 | Very high | 72.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.6 | 172.3 | -50.4 | -178.3 | 0 | 0 | 0 | 107.3 | V1430 T1431 W1437 F1440 G1517 L1518 I1520 F1535 I1553 | V1430-I1533 HydrophobicContact CG2-CG1 3.87Å; T1431-I1533 HydrophobicContact CG2-CG2 3.82Å; W1437-I1533 HydrophobicContact CH2-CD1 4.08Å; W1437-I1533 HydrophobicContact CH2-CG1 4.45Å; W1437-I1533 HydrophobicContact CH2-CG2 3.83Å; W1437-I1533 HydrophobicContact CZ3-CB 4.49Å; W1437-I1533 HydrophobicContact CZ3-CD1 4.04Å; W1437-I1533 HydrophobicContact CZ3-CG1 4.02Å; W1437-I1533 HydrophobicContact CZ3-CG2 3.83Å; F1440-I1533 HydrophobicContact CE1-CD1 4.27Å; G1517-I1533 CarbonylContact C-O 3.57Å; G1517-I1533 WeakPolarHBondContact CA-O 2.93Å; L1518-I1533 HydrophobicContact CB-CB 4.37Å; L1518-I1533 PolarHBondContact N-O 3.26Å; L1518-I1533 PolarHBondContact O-N 3.24Å; I1520-I1533 HydrophobicContact CD1-CD1 3.62Å; I1520-I1533 HydrophobicContact CG1-CD1 4.32Å; I1533-F1535 HydrophobicContact CB-CE1 4.49Å; I1533-F1535 HydrophobicContact CG2-CD1 4.4Å; I1533-F1535 HydrophobicContact CG2-CE1 3.7Å; I1533-F1535 HydrophobicContact CG2-CZ 4.39Å; I1533-I1553 HydrophobicContact CD1-CD1 4.48Å; I1533-I1553 HydrophobicContact CD1-CG1 4.5Å; I1533-I1553 HydrophobicContact CG2-CD1 3.83Å |
| 1534 | H | 85.4 | Confident | 72.6 | Confident | 32 Ų | 32 | 60 Ų | 60 | 15% | 0.148 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 140.3 | -177.5 | -159.8 | 32.7 | 0 | 0 | 0 | 111.7 | T1431 S1516 W1532 | T1431-H1534 VanDerWaalsContact OG1-CB 3.3Å; T1431-H1534 WeakPolarHBondContact OG1-CB 3.4Å; T1431-H1534 PolarHBondContact OG1-N 3.48Å; S1516-H1534 PolarHBondContact O-ND1 3.22Å; W1532-H1534 AromaticContact CZ2-ND1 3.98Å; W1532-H1534 AromaticContact NE1-CG 3.71Å; W1532-H1534 AromaticContact NE1-ND1 3.53Å |
| 1535 | F | 81.1 | Confident | 72.8 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | trans | -111.5 | -5.4 | 178.8 | -58.1 | -33.8 | 0 | 0 | 0 | 114.4 | L1489 L1515 S1516 G1517 L1518 I1533 L1546 I1553 | L1489-F1535 HydrophobicContact CD1-CB 3.87Å; L1489-F1535 HydrophobicContact CD1-CD1 4.43Å; L1489-F1535 HydrophobicContact CD1-CD2 3.5Å; L1489-F1535 HydrophobicContact CD1-CE2 4.14Å; L1489-F1535 HydrophobicContact CD1-CG 3.69Å; L1515-F1535 HydrophobicContact CD2-CD2 3.97Å; L1515-F1535 HydrophobicContact CD2-CE2 3.7Å; L1515-F1535 HydrophobicContact CG-CD2 3.92Å; L1515-F1535 HydrophobicContact CG-CE2 3.98Å; S1516-F1535 PolarHBondContact O-N 2.99Å; G1517-F1535 VanDerWaalsContact CA-CD2 3.43Å; L1518-F1535 HydrophobicContact CB-CE2 4.15Å; L1518-F1535 HydrophobicContact CB-CZ 3.88Å; I1533-F1535 HydrophobicContact CB-CE1 4.49Å; I1533-F1535 HydrophobicContact CG2-CD1 4.4Å; I1533-F1535 HydrophobicContact CG2-CE1 3.7Å; I1533-F1535 HydrophobicContact CG2-CZ 4.39Å; F1535-L1546 HydrophobicContact CB-CD1 3.87Å; F1535-L1546 HydrophobicContact CD1-CD1 4.07Å; F1535-L1546 HydrophobicContact CG-CD1 4.27Å; F1535-I1553 HydrophobicContact CE1-CD1 3.46Å; F1535-I1553 VanDerWaalsContact CE1-CD1 3.46Å; F1535-I1553 HydrophobicContact CZ-CD1 3.9Å | ||
| 1536 | L | 68.8 | Low | 73.1 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | trans | -88.9 | 116.1 | 177.4 | -56.6 | -179.1 | 0 | 0 | 0 | 110.5 | L1469 E1538 L1652 | L1469-L1536 HydrophobicContact CD1-CD1 3.85Å; L1536-E1538 PolarHBondContact O-N 3.17Å; L1536-L1652 HydrophobicContact CD1-CD1 4.22Å | ||
| 1537 | T | 56.4 | Low | 73.1 | Confident | 79 Ų | 79 | 59.5 Ų | 59.5 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | trans | -83.2 | 91.6 | 174.7 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | L1546 | T1537-L1546 HydrophobicContact CG2-CB 3.81Š| ||
| 1538 | E | 51.1 | Low | 73.3 | Confident | 83 Ų | 83 | 56 Ų | 56 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | trans | -62.6 | 149.9 | 149.9 | -68.7 | 177.7 | 112.8 | 0 | 0 | 108.6 | L1536 D1540 R1543 | L1536-E1538 PolarHBondContact O-N 3.17Å; E1538-D1540 PolarHBondContact O-N 2.98Å; E1538-R1543 IonicContact OE2-CZ 2.68Å; E1538-R1543 IonicContact OE2-NH1 3.29Å; E1538-R1543 PolarHBondContact OE2-NH1 2.83Å; E1538-R1543 IonicContact OE2-NH2 2.73Å; E1538-R1543 PolarHBondContact OE2-NH2 2.7Å | ||
| 1539 | S | 49.8 | Very low | 73.2 | Confident | 131 Ų | 131 | 52.6 Ų | 52.6 | 92% | 0.916 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -75.9 | 56.4 | -175.7 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1540 | D | 53.9 | Low | 73.1 | Confident | 68 Ų | 68 | 54.5 Ų | 54.5 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -114.3 | 105 | -168.4 | -177.7 | 3.2 | 0 | 0 | 0 | 109.5 | E1538 N1542 R1543 | E1538-D1540 PolarHBondContact O-N 2.98Å; D1540-N1542 PolarHBondContact O-N 3.26Å; D1540-R1543 HydrophobicContact CB-CG 4.16Å; D1540-R1543 PolarHBondContact O-N 2.94Å; D1540-R1543 IonicContact OD2-CZ 2.98Å; D1540-R1543 IonicContact OD2-NE 2.79Å; D1540-R1543 PolarHBondContact OD2-NE 3.01Å; D1540-R1543 IonicContact OD2-NH2 2.64Å; D1540-R1543 PolarHBondContact OD2-NH2 3.22Å | ||
| 1541 | V | 54.4 | Low | 72.8 | Confident | 141 Ų | 141 | 58 Ų | 58 | 86% | 0.855 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -13.4 | -164.5 | -171.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1542 | N | 57.2 | Low | 72.5 | Confident | 107 Ų | 107 | 59 Ų | 59 | 57% | 0.572 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -7.5 | -179.6 | -61.6 | -67.4 | 0 | 0 | 0 | 114.5 | N1433 D1540 | N1433-N1542 WeakPolarHBondContact CA-O 3.36Å; D1540-N1542 PolarHBondContact O-N 3.26Å |
| 1543 | R | 66.5 | Low | 72.2 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -85.1 | 159.6 | 179.7 | -64.3 | -170.6 | -164.4 | 179.2 | 10.4 | 112.4 | E1538 D1540 | E1538-R1543 IonicContact OE2-CZ 2.68Å; E1538-R1543 IonicContact OE2-NH1 3.29Å; E1538-R1543 PolarHBondContact OE2-NH1 2.83Å; E1538-R1543 IonicContact OE2-NH2 2.73Å; E1538-R1543 PolarHBondContact OE2-NH2 2.7Å; D1540-R1543 HydrophobicContact CB-CG 4.16Å; D1540-R1543 PolarHBondContact O-N 2.94Å; D1540-R1543 IonicContact OD2-CZ 2.98Å; D1540-R1543 IonicContact OD2-NE 2.79Å; D1540-R1543 PolarHBondContact OD2-NE 3.01Å; D1540-R1543 IonicContact OD2-NH2 2.64Å; D1540-R1543 PolarHBondContact OD2-NH2 3.22Å |
| 1544 | V | 72.2 | Confident | 71.9 | Confident | 12 Ų | 12 | 63 Ų | 63 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 129 | 175.2 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | W1437 E1548 C1549 | W1437-V1544 HydrophobicContact CB-CG2 3.52Å; W1437-V1544 HydrophobicContact CD2-CG2 4.31Å; W1437-V1544 HydrophobicContact CG-CG1 4.37Å; W1437-V1544 HydrophobicContact CG-CG2 3.53Å; V1544-E1548 HydrophobicContact CG1-CB 4.25Å; V1544-C1549 HydrophobicContact CG1-CB 4.02Å |
| 1545 | P | 75.2 | Confident | 71.9 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -60 | 140.8 | 173.3 | -23.1 | 33.6 | 0 | 0 | 0 | 111.9 | R1547 E1548 C1549 | P1545-R1547 VanDerWaalsContact C-N 3.31Å; P1545-R1547 PolarHBondContact O-N 2.9Å; P1545-E1548 HydrophobicContact CB-CB 4.44Å; P1545-E1548 HydrophobicContact CB-CG 4.25Å; P1545-E1548 HydrophobicContact CG-CG 4.33Å; P1545-E1548 PolarHBondContact O-N 3.34Å; P1545-C1549 PolarHBondContact O-N 3.06Å |
| 1546 | L | 77 | Confident | 72.1 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.3 | -42.8 | -177 | 179.8 | 55.3 | 0 | 0 | 0 | 112.4 | E1487 L1489 F1535 T1537 E1548 C1549 L1550 | E1487-L1546 HydrophobicContact CB-CD2 4.12Å; E1487-L1546 VanDerWaalsContact O-CD2 3.22Å; E1487-L1546 WeakPolarHBondContact O-CD2 3.47Å; L1489-L1546 HydrophobicContact CD1-CD1 4.41Å; F1535-L1546 HydrophobicContact CB-CD1 3.87Å; F1535-L1546 HydrophobicContact CD1-CD1 4.07Å; F1535-L1546 HydrophobicContact CG-CD1 4.27Å; T1537-L1546 HydrophobicContact CG2-CB 3.81Å; L1546-E1548 VanDerWaalsContact C-N 3.34Å; L1546-E1548 PolarHBondContact O-N 3.07Å; L1546-C1549 WeakPolarHBondContact O-CB 3.27Å; L1546-C1549 PolarHBondContact O-N 3Å; L1546-L1550 HydrophobicContact CD1-CD1 4.01Å; L1546-L1550 HydrophobicContact CD1-CG 4.01Å; L1546-L1550 HydrophobicContact CG-CD1 3.96Å; L1546-L1550 HydrophobicContact CG-CG 4.41Å; L1546-L1550 WeakPolarHBondContact O-CB 3.33Å; L1546-L1550 WeakPolarHBondContact O-CG 3.46Å; L1546-L1550 PolarHBondContact O-N 3.22Å |
| 1547 | R | 78.2 | Confident | 72.9 | Confident | 163 Ų | 163 | 63 Ų | 63 | 62% | 0.615 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -55.8 | -41.3 | 172.9 | -166.8 | 169.6 | 178 | -81.5 | -2.4 | 114.4 | E1487 P1545 V1551 | E1487-R1547 WeakPolarHBondContact OE1-CB 3.33Å; E1487-R1547 WeakPolarHBondContact OE1-CD 3.12Å; E1487-R1547 WeakPolarHBondContact OE2-CB 3.33Å; E1487-R1547 PolarHBondContact OE2-N 3.14Å; P1545-R1547 VanDerWaalsContact C-N 3.31Å; P1545-R1547 PolarHBondContact O-N 2.9Å; R1547-V1551 VanDerWaalsContact O-CG2 3.29Å; R1547-V1551 WeakPolarHBondContact O-CG2 3.15Å; R1547-V1551 PolarHBondContact O-N 2.9Å; R1547-V1551 VanDerWaalsContact O-N 3.11Å |
| 1548 | E | 80.9 | Confident | 74.1 | Confident | 83 Ų | 83 | 61 Ų | 61 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -73.1 | -42.7 | 178.1 | -66.4 | -169.4 | 170.4 | 0 | 0 | 111.1 | V1544 P1545 L1546 L1550 V1551 D1552 | V1544-E1548 HydrophobicContact CG1-CB 4.25Å; P1545-E1548 HydrophobicContact CB-CB 4.44Å; P1545-E1548 HydrophobicContact CB-CG 4.25Å; P1545-E1548 HydrophobicContact CG-CG 4.33Å; P1545-E1548 PolarHBondContact O-N 3.34Å; L1546-E1548 VanDerWaalsContact C-N 3.34Å; L1546-E1548 PolarHBondContact O-N 3.07Å; E1548-L1550 VanDerWaalsContact C-N 3.33Å; E1548-L1550 PolarHBondContact O-N 2.93Å; E1548-V1551 PolarHBondContact O-N 2.95Å; E1548-D1552 WeakPolarHBondContact O-CB 3.3Å; E1548-D1552 PolarHBondContact O-N 3.25Å |
| 1549 | C | 82.4 | Confident | 75.6 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55 | -48 | 174 | -169.3 | 0 | 0 | 0 | 0 | 111.1 | V1544 P1545 L1546 D1552 I1553 | V1544-C1549 HydrophobicContact CG1-CB 4.02Å; P1545-C1549 PolarHBondContact O-N 3.06Å; L1546-C1549 WeakPolarHBondContact O-CB 3.27Å; L1546-C1549 PolarHBondContact O-N 3Å; C1549-D1552 PolarHBondContact O-N 3.12Å; C1549-I1553 WeakPolarHBondContact O-CB 3.18Å; C1549-I1553 VanDerWaalsContact O-CD1 3.24Å; C1549-I1553 WeakPolarHBondContact O-CD1 3.45Å; C1549-I1553 WeakPolarHBondContact O-CG1 3.48Å; C1549-I1553 PolarHBondContact O-N 2.94Å |
| 1550 | L | 82 | Confident | 77.1 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 177.3 | -75.2 | 171.4 | 0 | 0 | 0 | 113.4 | L1489 L1546 E1548 I1553 Y1554 L1583 | L1489-L1550 HydrophobicContact CD1-CD2 4.09Å; L1489-L1550 HydrophobicContact CD2-CD1 4.1Å; L1489-L1550 HydrophobicContact CD2-CD2 4.29Å; L1546-L1550 HydrophobicContact CD1-CD1 4.01Å; L1546-L1550 HydrophobicContact CD1-CG 4.01Å; L1546-L1550 HydrophobicContact CG-CD1 3.96Å; L1546-L1550 HydrophobicContact CG-CG 4.41Å; L1546-L1550 WeakPolarHBondContact O-CB 3.33Å; L1546-L1550 WeakPolarHBondContact O-CG 3.46Å; L1546-L1550 PolarHBondContact O-N 3.22Å; E1548-L1550 VanDerWaalsContact C-N 3.33Å; E1548-L1550 PolarHBondContact O-N 2.93Å; L1550-I1553 PolarHBondContact O-N 2.97Å; L1550-Y1554 WeakPolarHBondContact O-CB 3.33Å; L1550-Y1554 PolarHBondContact O-N 3.4Å; L1550-L1583 HydrophobicContact CD2-CD2 3.59Å |
| 1551 | V | 83.3 | Confident | 78.4 | Confident | 74 Ų | 74 | 54.5 Ų | 54.5 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.4 | 167.8 | 0 | 0 | 0 | 0 | 111.4 | R1547 E1548 I1553 Y1554 N1555 | R1547-V1551 VanDerWaalsContact O-CG2 3.29Å; R1547-V1551 WeakPolarHBondContact O-CG2 3.15Å; R1547-V1551 PolarHBondContact O-N 2.9Å; R1547-V1551 VanDerWaalsContact O-N 3.11Å; E1548-V1551 PolarHBondContact O-N 2.95Å; V1551-I1553 VanDerWaalsContact C-N 3.32Å; V1551-I1553 PolarHBondContact O-N 2.88Å; V1551-Y1554 PolarHBondContact O-N 3.25Å; V1551-N1555 WeakPolarHBondContact O-CB 3.32Å; V1551-N1555 VanDerWaalsContact O-CG 3.25Å; V1551-N1555 PolarHBondContact O-N 2.98Å; V1551-N1555 PolarHBondContact O-ND2 2.82Å |
| 1552 | D | 85.5 | Confident | 79.6 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 174.3 | -79.7 | -30.3 | 0 | 0 | 0 | 111.6 | W1437 K1438 L1441 E1548 C1549 N1555 L1556 | W1437-D1552 HydrophobicContact CZ2-CB 3.77Å; W1437-D1552 PolarHBondContact NE1-OD2 3.43Å; K1438-D1552 VanDerWaalsContact NZ-CG 3.3Å; K1438-D1552 IonicContact NZ-OD1 3.87Å; K1438-D1552 PolarHBondContact NZ-OD1 3.16Å; K1438-D1552 VanDerWaalsContact NZ-OD1 3.16Å; K1438-D1552 IonicContact NZ-OD2 3.36Å; K1438-D1552 PolarHBondContact NZ-OD2 3.44Å; L1441-D1552 HydrophobicContact CD1-CB 3.74Å; L1441-D1552 WeakPolarHBondContact CD1-OD2 3.37Å; E1548-D1552 WeakPolarHBondContact O-CB 3.3Å; E1548-D1552 PolarHBondContact O-N 3.25Å; C1549-D1552 PolarHBondContact O-N 3.12Å; D1552-N1555 PolarHBondContact O-N 3.21Å; D1552-L1556 WeakPolarHBondContact O-CB 3.35Å; D1552-L1556 PolarHBondContact O-N 3.43Å |
| 1553 | I | 84.1 | Confident | 80.6 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.3 | -40.5 | 177.1 | -71.5 | 162.7 | 0 | 0 | 0 | 112.1 | W1437 I1533 F1535 C1549 L1550 V1551 N1555 L1556 F1557 | W1437-I1553 HydrophobicContact CH2-CD1 4.31Å; W1437-I1553 HydrophobicContact CH2-CG1 4.04Å; W1437-I1553 HydrophobicContact CZ2-CG1 4.37Å; I1533-I1553 HydrophobicContact CD1-CD1 4.48Å; I1533-I1553 HydrophobicContact CD1-CG1 4.5Å; I1533-I1553 HydrophobicContact CG2-CD1 3.83Å; F1535-I1553 HydrophobicContact CE1-CD1 3.46Å; F1535-I1553 VanDerWaalsContact CE1-CD1 3.46Å; F1535-I1553 HydrophobicContact CZ-CD1 3.9Å; C1549-I1553 WeakPolarHBondContact O-CB 3.18Å; C1549-I1553 VanDerWaalsContact O-CD1 3.24Å; C1549-I1553 WeakPolarHBondContact O-CD1 3.45Å; C1549-I1553 WeakPolarHBondContact O-CG1 3.48Å; C1549-I1553 PolarHBondContact O-N 2.94Å; L1550-I1553 PolarHBondContact O-N 2.97Å; V1551-I1553 VanDerWaalsContact C-N 3.32Å; V1551-I1553 PolarHBondContact O-N 2.88Å; I1553-N1555 VanDerWaalsContact C-N 3.32Å; I1553-N1555 PolarHBondContact O-N 2.91Å; I1553-L1556 WeakPolarHBondContact O-CB 3.44Å; I1553-L1556 PolarHBondContact O-N 3.03Å; I1553-F1557 HydrophobicContact CG2-CD2 3.62Å; I1553-F1557 HydrophobicContact CG2-CE2 3.54Å; I1553-F1557 VanDerWaalsContact O-CD2 3.3Å; I1553-F1557 WeakPolarHBondContact O-CD2 3.39Å; I1553-F1557 PolarHBondContact O-N 3.47Å |
| 1554 | Y | 85.4 | Confident | 81.1 | Confident | 83 Ų | 83 | 52.2 Ų | 52.2 | 33% | 0.325 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 172.9 | 177.7 | -93.2 | 0 | 0 | 0 | 110.9 | L1550 V1551 F1557 I1558 I1585 | L1550-Y1554 WeakPolarHBondContact O-CB 3.33Å; L1550-Y1554 PolarHBondContact O-N 3.4Å; V1551-Y1554 PolarHBondContact O-N 3.25Å; Y1554-F1557 PolarHBondContact O-N 3.4Å; Y1554-I1558 HydrophobicContact CD1-CD1 3.79Å; Y1554-I1558 HydrophobicContact CE1-CD1 3.28Å; Y1554-I1558 HydrophobicContact CE1-CG1 4.44Å; Y1554-I1558 WeakPolarHBondContact O-CG1 3.38Å; Y1554-I1558 PolarHBondContact O-N 3.21Å; Y1554-I1585 HydrophobicContact CD2-CG1 4.18Å |
| 1555 | N | 84.8 | Confident | 81.4 | Confident | 77 Ų | 77 | 52 Ų | 52 | 41% | 0.412 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 175.2 | -69.1 | -35.8 | 0 | 0 | 0 | 112.6 | V1551 D1552 I1553 I1558 R1559 | V1551-N1555 WeakPolarHBondContact O-CB 3.32Å; V1551-N1555 VanDerWaalsContact O-CG 3.25Å; V1551-N1555 PolarHBondContact O-N 2.98Å; V1551-N1555 PolarHBondContact O-ND2 2.82Å; D1552-N1555 PolarHBondContact O-N 3.21Å; I1553-N1555 VanDerWaalsContact C-N 3.32Å; I1553-N1555 PolarHBondContact O-N 2.91Å; N1555-I1558 PolarHBondContact O-N 2.84Å; N1555-R1559 WeakPolarHBondContact O-CG 3.41Å; N1555-R1559 PolarHBondContact O-N 3.04Å |
| 1556 | L | 85.1 | Confident | 81.6 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 174.4 | 172.5 | 64.2 | 0 | 0 | 0 | 111.5 | L1444 I1448 D1552 I1553 R1559 I1560 | L1444-L1556 HydrophobicContact CD2-CD1 3.58Å; L1444-L1556 HydrophobicContact CD2-CD2 3.65Å; L1444-L1556 HydrophobicContact CD2-CG 4.27Å; L1444-L1556 HydrophobicContact CG-CD1 3.85Å; I1448-L1556 HydrophobicContact CD1-CD1 3.5Å; I1448-L1556 VanDerWaalsContact CD1-CD1 3.5Å; D1552-L1556 WeakPolarHBondContact O-CB 3.35Å; D1552-L1556 PolarHBondContact O-N 3.43Å; I1553-L1556 WeakPolarHBondContact O-CB 3.44Å; I1553-L1556 PolarHBondContact O-N 3.03Å; L1556-R1559 WeakPolarHBondContact O-CB 3.48Å; L1556-R1559 PolarHBondContact O-N 3.45Å; L1556-R1559 VanDerWaalsContact O-N 3.16Å; L1556-I1560 HydrophobicContact CD1-CD1 4.19Å; L1556-I1560 HydrophobicContact CD1-CG1 4.43Å; L1556-I1560 HydrophobicContact CG-CD1 4.05Å; L1556-I1560 WeakPolarHBondContact O-CG1 3.25Å; L1556-I1560 PolarHBondContact O-N 3.15Å |
| 1557 | F | 84.9 | Confident | 82.2 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.6 | -36.7 | 177.7 | -81.9 | -59.4 | 0 | 0 | 0 | 112.8 | I1464 L1518 I1553 Y1554 R1559 I1560 H1561 L1567 W1575 I1585 F1591 | I1464-F1557 HydrophobicContact CD1-CE1 3.67Å; I1464-F1557 HydrophobicContact CD1-CZ 3.8Å; L1518-F1557 HydrophobicContact CD2-CE2 4.31Å; L1518-F1557 HydrophobicContact CD2-CZ 4.16Å; I1553-F1557 HydrophobicContact CG2-CD2 3.62Å; I1553-F1557 HydrophobicContact CG2-CE2 3.54Å; I1553-F1557 VanDerWaalsContact O-CD2 3.3Å; I1553-F1557 WeakPolarHBondContact O-CD2 3.39Å; I1553-F1557 PolarHBondContact O-N 3.47Å; Y1554-F1557 PolarHBondContact O-N 3.4Å; F1557-R1559 VanDerWaalsContact C-N 3.29Å; F1557-R1559 PolarHBondContact O-N 3.24Å; F1557-I1560 HydrophobicContact CD1-CD1 3.98Å; F1557-I1560 HydrophobicContact CE1-CD1 4.13Å; F1557-I1560 PolarHBondContact O-N 3.26Å; F1557-H1561 PolarHBondContact O-N 3.08Å; F1557-L1567 HydrophobicContact CD1-CD1 4.41Å; F1557-L1567 HydrophobicContact CE1-CD1 4.02Å; F1557-W1575 HydrophobicContact CE1-CH2 4.18Å; F1557-W1575 AromaticContact CE1-CZ2 3.75Å; F1557-W1575 HydrophobicContact CE1-CZ2 3.75Å; F1557-W1575 HydrophobicContact CE2-CH2 4.1Å; F1557-W1575 HydrophobicContact CE2-CZ2 4.3Å; F1557-W1575 AromaticContact CZ-CH2 3.52Å; F1557-W1575 HydrophobicContact CZ-CH2 3.52Å; F1557-W1575 AromaticContact CZ-CZ2 3.57Å; F1557-W1575 HydrophobicContact CZ-CZ2 3.57Å; F1557-I1585 HydrophobicContact CB-CD1 4.08Å; F1557-I1585 HydrophobicContact CD2-CD1 3.99Å; F1557-I1585 HydrophobicContact CG-CD1 4.18Å; F1557-F1591 HydrophobicContact CB-CE1 3.9Å; F1557-F1591 HydrophobicContact CB-CZ 3.92Å; F1557-F1591 AromaticContact CD1-CE1 3.81Å; F1557-F1591 HydrophobicContact CD1-CE1 3.81Å; F1557-F1591 HydrophobicContact CD1-CZ 4.13Å; F1557-F1591 HydrophobicContact CG-CE1 4.23Å; F1557-F1591 HydrophobicContact CG-CZ 4.25Å |
| 1558 | I | 82.1 | Confident | 82.7 | Confident | 38 Ų | 38 | 40.9 Ų | 40.9 | 20% | 0.195 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.2 | -44 | 169 | -76.9 | 172.6 | 0 | 0 | 0 | 110.9 | Y1554 N1555 H1561 Q1562 I1589 | Y1554-I1558 HydrophobicContact CD1-CD1 3.79Å; Y1554-I1558 HydrophobicContact CE1-CD1 3.28Å; Y1554-I1558 HydrophobicContact CE1-CG1 4.44Å; Y1554-I1558 WeakPolarHBondContact O-CG1 3.38Å; Y1554-I1558 PolarHBondContact O-N 3.21Å; N1555-I1558 PolarHBondContact O-N 2.84Å; I1558-H1561 PolarHBondContact O-N 3.17Å; I1558-Q1562 HydrophobicContact CG2-CG 4.26Å; I1558-Q1562 WeakPolarHBondContact O-CB 3.32Å; I1558-Q1562 VanDerWaalsContact O-CG 3.27Å; I1558-Q1562 WeakPolarHBondContact O-CG 3.15Å; I1558-Q1562 PolarHBondContact O-N 2.94Å; I1558-I1589 HydrophobicContact CD1-CD1 4.48Å; I1558-I1589 HydrophobicContact CG1-CD1 3.82Å |
| 1559 | R | 82 | Confident | 83.1 | Confident | 73 Ų | 73 | 37 Ų | 37 | 28% | 0.275 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 177 | -76.1 | 174.1 | 152.5 | -114.8 | -8.8 | 112.7 | N1445 I1448 E1449 N1555 L1556 F1557 H1561 Q1562 F1563 | N1445-R1559 VanDerWaalsContact CG-NH1 3.26Å; N1445-R1559 WeakPolarHBondContact OD1-CD 3.42Å; N1445-R1559 PolarHBondContact OD1-NH1 3.11Å; I1448-R1559 HydrophobicContact CG2-CB 4.49Å; E1449-R1559 IonicContact OE1-CZ 3.94Å; E1449-R1559 VanDerWaalsContact OE1-CZ 3.29Å; E1449-R1559 IonicContact OE1-NH1 3.97Å; E1449-R1559 PolarHBondContact OE1-NH1 2.81Å; E1449-R1559 IonicContact OE1-NH2 2.7Å; E1449-R1559 PolarHBondContact OE1-NH2 2.7Å; N1555-R1559 WeakPolarHBondContact O-CG 3.41Å; N1555-R1559 PolarHBondContact O-N 3.04Å; L1556-R1559 WeakPolarHBondContact O-CB 3.48Å; L1556-R1559 PolarHBondContact O-N 3.45Å; L1556-R1559 VanDerWaalsContact O-N 3.16Å; F1557-R1559 VanDerWaalsContact C-N 3.29Å; F1557-R1559 PolarHBondContact O-N 3.24Å; R1559-H1561 PolarHBondContact O-N 3.27Å; R1559-Q1562 PolarHBondContact O-N 3.37Å; R1559-F1563 WeakPolarHBondContact O-CB 3.28Å; R1559-F1563 VanDerWaalsContact O-CD2 3.23Å; R1559-F1563 WeakPolarHBondContact O-CD2 3.1Å; R1559-F1563 PolarHBondContact O-N 3.23Å |
| 1560 | I | 82.6 | Confident | 83.4 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.9 | -42.5 | 174.5 | -72.6 | 168.2 | 0 | 0 | 0 | 111 | I1448 I1462 L1556 F1557 N1564 I1565 L1567 | I1448-I1560 HydrophobicContact CD1-CG1 3.92Å; I1462-I1560 HydrophobicContact CD1-CD1 4.49Å; L1556-I1560 HydrophobicContact CD1-CD1 4.19Å; L1556-I1560 HydrophobicContact CD1-CG1 4.43Å; L1556-I1560 HydrophobicContact CG-CD1 4.05Å; L1556-I1560 WeakPolarHBondContact O-CG1 3.25Å; L1556-I1560 PolarHBondContact O-N 3.15Å; F1557-I1560 HydrophobicContact CD1-CD1 3.98Å; F1557-I1560 HydrophobicContact CE1-CD1 4.13Å; F1557-I1560 PolarHBondContact O-N 3.26Å; I1560-N1564 PolarHBondContact O-N 2.92Å; I1560-I1565 HydrophobicContact CG2-CB 4.18Å; I1560-I1565 HydrophobicContact CG2-CG2 4.41Å; I1560-I1565 PolarHBondContact O-N 3.36Å; I1560-L1567 HydrophobicContact CD1-CD2 4.46Å; I1560-L1567 HydrophobicContact CG2-CD2 3.95Å; I1560-L1567 HydrophobicContact CG2-CG 4.25Å |
| 1561 | H | 80.8 | Confident | 83.7 | Confident | 69 Ų | 69 | 36.4 Ų | 36.4 | 32% | 0.319 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.1 | -49.7 | 174 | 172.2 | 70.5 | 0 | 0 | 0 | 112.8 | F1557 I1558 R1559 F1563 N1564 I1589 K1590 F1591 | F1557-H1561 PolarHBondContact O-N 3.08Å; I1558-H1561 PolarHBondContact O-N 3.17Å; R1559-H1561 PolarHBondContact O-N 3.27Å; H1561-F1563 PolarHBondContact O-N 3.1Å; H1561-N1564 PolarHBondContact O-N 3.04Å; H1561-I1589 HydrophobicContact CB-CG2 3.68Å; H1561-K1590 PolarHBondContact CE1-O 3.19Å; H1561-K1590 PolarHBondContact ND1-O 3.34Å; H1561-F1591 HydrophobicContact CB-CD1 4.45Å; H1561-F1591 HydrophobicContact CB-CE1 4.38Å |
| 1562 | Q | 80.6 | Confident | 83.8 | Confident | 132 Ų | 132 | 33 Ų | 33 | 62% | 0.617 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -59.6 | -29 | 179.9 | -77 | 174.7 | -6.5 | 0 | 0 | 114 | I1558 R1559 | I1558-Q1562 HydrophobicContact CG2-CG 4.26Å; I1558-Q1562 WeakPolarHBondContact O-CB 3.32Å; I1558-Q1562 VanDerWaalsContact O-CG 3.27Å; I1558-Q1562 WeakPolarHBondContact O-CG 3.15Å; I1558-Q1562 PolarHBondContact O-N 2.94Å; R1559-Q1562 PolarHBondContact O-N 3.37Å |
| 1563 | F | 77.3 | Confident | 83.9 | Confident | 45 Ų | 45 | 32.1 Ų | 32.1 | 20% | 0.197 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 4.4 | 178.7 | -72.8 | -113 | 0 | 0 | 0 | 112.6 | I1448 E1449 K1452 R1559 H1561 I1565 | I1448-F1563 HydrophobicContact CG2-CB 3.95Å; I1448-F1563 HydrophobicContact CG2-CD1 3.97Å; I1448-F1563 HydrophobicContact CG2-CD2 4Å; I1448-F1563 HydrophobicContact CG2-CE1 4.47Å; I1448-F1563 HydrophobicContact CG2-CE2 4.49Å; I1448-F1563 HydrophobicContact CG2-CG 3.71Å; I1448-F1563 VanDerWaalsContact O-CD1 3.29Å; I1448-F1563 WeakPolarHBondContact O-CD1 3.24Å; E1449-F1563 HydrophobicContact CB-CE1 4.17Å; E1449-F1563 HydrophobicContact CG-CE1 3.62Å; E1449-F1563 HydrophobicContact CG-CZ 3.65Å; K1452-F1563 HydrophobicContact CD-CD1 4.08Å; K1452-F1563 HydrophobicContact CD-CE1 3.67Å; K1452-F1563 HydrophobicContact CG-CD1 3.95Å; K1452-F1563 HydrophobicContact CG-CE1 4.03Å; K1452-F1563 VanDerWaalsContact NZ-CE1 3.26Å; R1559-F1563 WeakPolarHBondContact O-CB 3.28Å; R1559-F1563 VanDerWaalsContact O-CD2 3.23Å; R1559-F1563 WeakPolarHBondContact O-CD2 3.1Å; R1559-F1563 PolarHBondContact O-N 3.23Å; H1561-F1563 PolarHBondContact O-N 3.1Å; F1563-I1565 HydrophobicContact CB-CD1 4.14Å; F1563-I1565 HydrophobicContact CB-CG1 4.32Å; F1563-I1565 PolarHBondContact O-N 3.13Å |
| 1564 | N | 76.2 | Confident | 83.7 | Confident | 93 Ų | 93 | 32.1 Ų | 32.1 | 50% | 0.497 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 53 | -178.6 | -162.7 | 91.1 | 0 | 0 | 0 | 113.2 | L1459 I1560 H1561 Q1592 | L1459-N1564 WeakPolarHBondContact CD2-ND2 3.27Å; I1560-N1564 PolarHBondContact O-N 2.92Å; H1561-N1564 PolarHBondContact O-N 3.04Å; N1564-Q1592 PolarHBondContact ND2-OE1 3.07Å |
| 1565 | I | 78.9 | Confident | 83.8 | Confident | 7 Ų | 7 | 28.3 Ų | 28.3 | 4% | 0.036 | 14% | 0.135 | C | C | . | . | trans | -93.3 | 135.9 | 175.9 | -69.8 | 170.2 | 0 | 0 | 0 | 109.4 | I1448 L1451 I1462 I1560 F1563 | I1448-I1565 HydrophobicContact CB-CD1 3.88Å; I1448-I1565 HydrophobicContact CG1-CD1 3.67Å; I1448-I1565 HydrophobicContact CG2-CD1 3.75Å; L1451-I1565 HydrophobicContact CD1-CD1 3.98Å; L1451-I1565 HydrophobicContact CD1-CG1 4.41Å; I1462-I1565 HydrophobicContact CD1-CG2 3.82Å; I1462-I1565 HydrophobicContact CG1-CG2 4.01Å; I1560-I1565 HydrophobicContact CG2-CB 4.18Å; I1560-I1565 HydrophobicContact CG2-CG2 4.41Å; I1560-I1565 PolarHBondContact O-N 3.36Å; F1563-I1565 HydrophobicContact CB-CD1 4.14Å; F1563-I1565 HydrophobicContact CB-CG1 4.32Å; F1563-I1565 PolarHBondContact O-N 3.13Å | ||
| 1566 | G | 80.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 146.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1460 Y1461 I1462 Q1592 | N1460-G1566 PolarHBondContact O-N 3.44Å; Y1461-G1566 CarbonylContact C-O 3.59Å; Y1461-G1566 VanDerWaalsContact CA-O 3.28Å; Y1461-G1566 WeakPolarHBondContact CA-O 3.48Å; I1462-G1566 PolarHBondContact N-O 3.21Å; G1566-Q1592 CarbonylContact C-O 3.52Å; G1566-Q1592 WeakPolarHBondContact CA-O 3.48Å |
| 1567 | L | 87.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.1 | 172.9 | -62.1 | -176.3 | 0 | 0 | 0 | 110.6 | I1462 I1464 F1557 I1560 V1569 W1575 F1591 Q1592 I1593 Y1594 | I1462-L1567 HydrophobicContact CB-CD2 4.27Å; I1462-L1567 CarbonylContact O-C 3.59Å; I1462-L1567 WeakPolarHBondContact O-CA 3.47Å; I1464-L1567 HydrophobicContact CD1-CD1 4.31Å; I1464-L1567 HydrophobicContact CD1-CD2 3.57Å; I1464-L1567 HydrophobicContact CD1-CG 4.49Å; I1464-L1567 HydrophobicContact CG1-CD2 4.25Å; F1557-L1567 HydrophobicContact CD1-CD1 4.41Å; F1557-L1567 HydrophobicContact CE1-CD1 4.02Å; I1560-L1567 HydrophobicContact CD1-CD2 4.46Å; I1560-L1567 HydrophobicContact CG2-CD2 3.95Å; I1560-L1567 HydrophobicContact CG2-CG 4.25Å; L1567-V1569 HydrophobicContact CB-CG2 4.19Å; L1567-W1575 HydrophobicContact CD1-CZ2 4.45Å; L1567-F1591 HydrophobicContact CD1-CB 4.26Å; L1567-F1591 HydrophobicContact CD1-CD1 4Å; L1567-F1591 HydrophobicContact CD1-CG 4.15Å; L1567-Q1592 PolarHBondContact N-O 3.22Å; L1567-I1593 HydrophobicContact CB-CG1 4.46Å; L1567-I1593 CarbonylContact O-C 3.05Å; L1567-I1593 WeakPolarHBondContact O-CA 3.37Å; L1567-Y1594 PolarHBondContact O-N 3.19Å |
| 1568 | I | 88.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.8 | 169.5 | -62.8 | 159.4 | 0 | 0 | 0 | 108.3 | Y1461 I1462 A1463 I1464 Y1594 P1596 L1688 W1691 T1692 | Y1461-I1568 HydrophobicContact CD1-CD1 4.45Å; Y1461-I1568 HydrophobicContact CD1-CG1 3.9Å; Y1461-I1568 HydrophobicContact CG-CD1 4.22Å; Y1461-I1568 HydrophobicContact CG-CG1 4.18Å; I1462-I1568 PolarHBondContact O-N 3.08Å; A1463-I1568 WeakPolarHBondContact CA-O 3.2Å; A1463-I1568 HydrophobicContact CB-CB 4.3Å; I1464-I1568 PolarHBondContact N-O 3.34Å; I1568-Y1594 WeakPolarHBondContact CA-O 3.34Å; I1568-Y1594 HydrophobicContact CG1-CD1 4.17Å; I1568-Y1594 HydrophobicContact CG2-CD1 4.4Å; I1568-P1596 HydrophobicContact CG2-CG 4.23Å; I1568-L1688 HydrophobicContact CG2-CB 4.13Å; I1568-L1688 HydrophobicContact CG2-CD2 4.15Å; I1568-W1691 HydrophobicContact CD1-CB 3.91Å; I1568-T1692 HydrophobicContact CD1-CG2 3.56Å |
| 1569 | V | 89.8 | Confident | 83.6 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | trans | -140.9 | 134.3 | -171.2 | 177 | 0 | 0 | 0 | 0 | 109.3 | L1567 D1571 W1575 I1593 Y1594 N1595 | L1567-V1569 HydrophobicContact CB-CG2 4.19Å; V1569-D1571 WeakPolarHBondContact CG1-O 3.3Å; V1569-W1575 HydrophobicContact CG1-CB 3.51Å; V1569-W1575 HydrophobicContact CG1-CG 3.86Å; V1569-W1575 HydrophobicContact CG2-CD2 4.42Å; V1569-W1575 HydrophobicContact CG2-CG 4.17Å; V1569-I1593 HydrophobicContact CB-CG2 4.14Å; V1569-I1593 HydrophobicContact CG2-CG2 4.29Å; V1569-Y1594 PolarHBondContact N-O 3.27Å; V1569-N1595 PolarHBondContact O-ND2 3.12Å | ||
| 1570 | W | 89.9 | Confident | 83.5 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -77 | -48.2 | -178.7 | -173.2 | -105.3 | 0 | 0 | 0 | 114.7 | N1595 P1596 N1597 S1610 S1611 L1612 E1615 P1639 L1688 | W1570-N1595 VanDerWaalsContact C-ND2 3.31Å; W1570-N1595 PolarHBondContact O-ND2 3.46Å; W1570-P1596 HydrophobicContact CE3-CB 4.31Å; W1570-P1596 HydrophobicContact CE3-CG 4.3Å; W1570-P1596 HydrophobicContact CZ3-CB 3.95Å; W1570-P1596 HydrophobicContact CZ3-CG 4.4Å; W1570-N1597 HydrophobicContact CD2-CB 4.39Å; W1570-N1597 HydrophobicContact CE3-CB 4.33Å; W1570-N1597 HydrophobicContact CH2-CB 3.92Å; W1570-N1597 HydrophobicContact CZ2-CB 3.98Å; W1570-N1597 WeakPolarHBondContact CZ2-ND2 3.18Å; W1570-N1597 HydrophobicContact CZ3-CB 4.12Å; W1570-S1610 WeakPolarHBondContact CZ2-O 3.3Å; W1570-S1611 VanDerWaalsContact CH2-C 3.44Å; W1570-S1611 VanDerWaalsContact CZ2-C 3.48Å; W1570-L1612 HydrophobicContact CD2-CB 4.17Å; W1570-L1612 HydrophobicContact CD2-CD1 4.36Å; W1570-L1612 HydrophobicContact CE3-CB 4.17Å; W1570-L1612 HydrophobicContact CE3-CD1 3.67Å; W1570-L1612 HydrophobicContact CE3-CG 4.47Å; W1570-L1612 VanDerWaalsContact CH2-CA 3.4Å; W1570-L1612 HydrophobicContact CH2-CB 4.03Å; W1570-L1612 HydrophobicContact CH2-CD1 4.47Å; W1570-L1612 VanDerWaalsContact CH2-N 3.31Å; W1570-L1612 HydrophobicContact CZ2-CB 3.99Å; W1570-L1612 HydrophobicContact CZ3-CB 4.09Å; W1570-L1612 HydrophobicContact CZ3-CD1 3.73Å; W1570-E1615 HydrophobicContact CH2-CG 4.4Å; W1570-P1639 HydrophobicContact CB-CG 3.91Å; W1570-P1639 HydrophobicContact CD2-CG 4.19Å; W1570-P1639 HydrophobicContact CG-CG 3.5Å; W1570-P1639 VanDerWaalsContact CG-CG 3.5Å; W1570-L1688 HydrophobicContact CB-CD1 4.21Å; W1570-L1688 HydrophobicContact CB-CD2 4.09Å; W1570-L1688 HydrophobicContact CE3-CD2 4Å |
| 1571 | D | 86.9 | Confident | 83 | Confident | 24 Ų | 24 | 25.7 Ų | 25.7 | 13% | 0.128 | 12% | 0.121 | C | C | . | . | trans | -110.3 | 93 | 172.6 | -169.2 | -27.5 | 0 | 0 | 0 | 108.7 | V1569 K1573 W1574 W1575 I1641 Q1642 | V1569-D1571 WeakPolarHBondContact CG1-O 3.3Å; D1571-K1573 VanDerWaalsContact C-N 3.28Å; D1571-K1573 PolarHBondContact O-N 3.49Å; D1571-K1573 PolarHBondContact OD1-N 3.41Å; D1571-W1574 HydrophobicContact CB-CB 3.85Å; D1571-W1574 WeakPolarHBondContact OD1-CB 3.47Å; D1571-W1574 PolarHBondContact OD1-N 3.31Å; D1571-W1575 WeakPolarHBondContact O-CB 3.49Å; D1571-W1575 PolarHBondContact O-N 2.78Å; D1571-I1641 HydrophobicContact CB-CG2 4.29Å; D1571-I1641 WeakPolarHBondContact OD2-CA 3.47Å; D1571-Q1642 PolarHBondContact OD2-N 3.4Å | ||
| 1572 | V | 86.9 | Confident | 82.8 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.5 | -31.9 | -178.5 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | Y1576 I1593 N1595 L1712 Q1715 | V1572-Y1576 HydrophobicContact CG2-CD2 3.88Å; V1572-Y1576 HydrophobicContact CG2-CE2 3.51Å; V1572-Y1576 WeakPolarHBondContact O-CD2 3.35Å; V1572-Y1576 PolarHBondContact O-N 2.92Å; V1572-I1593 HydrophobicContact CB-CG2 4.3Å; V1572-I1593 HydrophobicContact CG2-CB 4.41Å; V1572-I1593 HydrophobicContact CG2-CD1 3.84Å; V1572-I1593 HydrophobicContact CG2-CG2 3.88Å; V1572-N1595 HydrophobicContact CB-CB 4.19Å; V1572-N1595 HydrophobicContact CG1-CB 4.09Å; V1572-N1595 PolarHBondContact N-ND2 2.89Å; V1572-L1712 HydrophobicContact CG1-CD2 4.37Å; V1572-L1712 HydrophobicContact CG2-CD2 4.04Å; V1572-Q1715 HydrophobicContact CG1-CB 4.02Å; V1572-Q1715 HydrophobicContact CG1-CG 3.77Å |
| 1573 | K | 85.7 | Confident | 82.7 | Confident | 10 Ų | 10 | 18.5 Ų | 18.5 | 4% | 0.043 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -73.5 | -47.6 | 179.5 | -168.4 | -166.5 | -60.3 | -175.8 | 0 | 110.3 | D1571 W1575 Y1576 R1577 Q1715 L1718 A1719 E1722 Y1868 | D1571-K1573 VanDerWaalsContact C-N 3.28Å; D1571-K1573 PolarHBondContact O-N 3.49Å; D1571-K1573 PolarHBondContact OD1-N 3.41Å; K1573-W1575 PolarHBondContact O-N 3.13Å; K1573-Y1576 PolarHBondContact O-N 3.01Å; K1573-R1577 PolarHBondContact O-N 3.41Å; K1573-Q1715 HydrophobicContact CB-CB 4.49Å; K1573-Q1715 VanDerWaalsContact CE-OE1 3.26Å; K1573-L1718 HydrophobicContact CD-CB 4.34Å; K1573-A1719 HydrophobicContact CG-CB 3.78Å; K1573-E1722 VanDerWaalsContact CD-OE1 3.26Å; K1573-E1722 WeakPolarHBondContact CD-OE1 3.29Å; K1573-E1722 VanDerWaalsContact CD-OE2 3.3Å; K1573-E1722 WeakPolarHBondContact CD-OE2 3.45Å; K1573-E1722 IonicContact NZ-OE1 3.12Å; K1573-E1722 PolarHBondContact NZ-OE1 2.64Å; K1573-Y1868 VanDerWaalsContact NZ-C 3.3Å; K1573-Y1868 PolarHBondContact NZ-O 3.14Å |
| 1574 | W | 81.3 | Confident | 82.6 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 174.7 | -163.3 | -122 | 0 | 0 | 0 | 111 | W1468 W1491 A1496 L1513 D1571 R1577 I1578 Q1642 W1646 | W1468-W1574 AromaticContact CE2-NE1 3.6Å; W1468-W1574 HydrophobicContact CH2-CZ2 4.2Å; W1468-W1574 AromaticContact CH2-NE1 3.85Å; W1468-W1574 AromaticContact CZ2-CD1 3.94Å; W1468-W1574 AromaticContact CZ2-CE2 3.95Å; W1468-W1574 HydrophobicContact CZ2-CZ2 4.3Å; W1468-W1574 AromaticContact CZ2-NE1 3.1Å; W1468-W1574 AromaticContact NE1-NE1 3.9Å; W1491-W1574 AromaticContact CD2-CH2 3.8Å; W1491-W1574 HydrophobicContact CD2-CH2 3.8Å; W1491-W1574 AromaticContact CD2-CZ2 3.96Å; W1491-W1574 HydrophobicContact CD2-CZ2 3.96Å; W1491-W1574 AromaticContact CE2-CH2 3.38Å; W1491-W1574 HydrophobicContact CE3-CH2 4.21Å; W1491-W1574 AromaticContact CE3-CZ2 3.98Å; W1491-W1574 HydrophobicContact CE3-CZ2 3.98Å; W1491-W1574 HydrophobicContact CG-CH2 4.43Å; W1491-W1574 AromaticContact CH2-CH2 3.93Å; W1491-W1574 HydrophobicContact CH2-CH2 3.93Å; W1491-W1574 HydrophobicContact CH2-CZ2 4.16Å; W1491-W1574 HydrophobicContact CH2-CZ3 4.24Å; W1491-W1574 AromaticContact CZ2-CH2 3.48Å; W1491-W1574 HydrophobicContact CZ2-CH2 3.48Å; W1491-W1574 VanDerWaalsContact CZ2-CH2 3.48Å; W1491-W1574 HydrophobicContact CZ2-CZ2 4.13Å; W1491-W1574 AromaticContact CZ2-CZ3 3.79Å; W1491-W1574 HydrophobicContact CZ2-CZ3 3.79Å; W1491-W1574 HydrophobicContact CZ3-CH2 4.26Å; W1491-W1574 HydrophobicContact CZ3-CZ2 4.08Å; W1491-W1574 AromaticContact NE1-CH2 3.74Å; A1496-W1574 HydrophobicContact CB-CH2 3.4Å; A1496-W1574 HydrophobicContact CB-CZ2 4.04Å; A1496-W1574 HydrophobicContact CB-CZ3 3.87Å; L1513-W1574 HydrophobicContact CD2-CZ2 4.2Å; D1571-W1574 HydrophobicContact CB-CB 3.85Å; D1571-W1574 WeakPolarHBondContact OD1-CB 3.47Å; D1571-W1574 PolarHBondContact OD1-N 3.31Å; W1574-R1577 HydrophobicContact CE3-CB 4.48Å; W1574-R1577 CarbonylContact O-C 2.92Å; W1574-R1577 PolarHBondContact O-N 3.31Å; W1574-I1578 VanDerWaalsContact O-CG1 3.27Å; W1574-I1578 WeakPolarHBondContact O-CG1 3.4Å; W1574-I1578 PolarHBondContact O-N 2.89Å; W1574-Q1642 HydrophobicContact CD2-CB 4.46Å; W1574-Q1642 HydrophobicContact CE3-CB 4Å; W1574-Q1642 HydrophobicContact CE3-CG 3.68Å; W1574-Q1642 HydrophobicContact CZ3-CG 3.91Å; W1574-W1646 AromaticContact CE2-CH2 3.83Å; W1574-W1646 AromaticContact CE2-CZ2 3.99Å; W1574-W1646 HydrophobicContact CZ2-CH2 4.12Å; W1574-W1646 HydrophobicContact CZ2-CZ2 4.21Å; W1574-W1646 AromaticContact NE1-CH2 3.4Å; W1574-W1646 AromaticContact NE1-CZ2 3.93Å |
| 1575 | W | 86.7 | Confident | 82.8 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.011 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 171.9 | 178.7 | -105.3 | 0 | 0 | 0 | 113.9 | I1464 L1518 F1557 L1567 V1569 D1571 K1573 R1577 I1578 T1579 | I1464-W1575 HydrophobicContact CG2-CE3 4.49Å; I1464-W1575 HydrophobicContact CG2-CH2 3.84Å; I1464-W1575 HydrophobicContact CG2-CZ2 4.49Å; I1464-W1575 HydrophobicContact CG2-CZ3 3.82Å; L1518-W1575 HydrophobicContact CD1-CH2 4.3Å; L1518-W1575 HydrophobicContact CD1-CZ3 3.88Å; L1518-W1575 HydrophobicContact CD2-CH2 4.44Å; F1557-W1575 HydrophobicContact CE1-CH2 4.18Å; F1557-W1575 AromaticContact CE1-CZ2 3.75Å; F1557-W1575 HydrophobicContact CE1-CZ2 3.75Å; F1557-W1575 HydrophobicContact CE2-CH2 4.1Å; F1557-W1575 HydrophobicContact CE2-CZ2 4.3Å; F1557-W1575 AromaticContact CZ-CH2 3.52Å; F1557-W1575 HydrophobicContact CZ-CH2 3.52Å; F1557-W1575 AromaticContact CZ-CZ2 3.57Å; F1557-W1575 HydrophobicContact CZ-CZ2 3.57Å; L1567-W1575 HydrophobicContact CD1-CZ2 4.45Å; V1569-W1575 HydrophobicContact CG1-CB 3.51Å; V1569-W1575 HydrophobicContact CG1-CG 3.86Å; V1569-W1575 HydrophobicContact CG2-CD2 4.42Å; V1569-W1575 HydrophobicContact CG2-CG 4.17Å; D1571-W1575 WeakPolarHBondContact O-CB 3.49Å; D1571-W1575 PolarHBondContact O-N 2.78Å; K1573-W1575 PolarHBondContact O-N 3.13Å; W1575-R1577 VanDerWaalsContact C-N 3.28Å; W1575-R1577 PolarHBondContact O-N 2.9Å; W1575-I1578 HydrophobicContact CE3-CD1 4.2Å; W1575-I1578 HydrophobicContact CZ3-CG2 4.48Å; W1575-I1578 PolarHBondContact O-N 2.95Å; W1575-I1578 VanDerWaalsContact O-N 3.1Å; W1575-T1579 HydrophobicContact CD2-CG2 4.18Å; W1575-T1579 HydrophobicContact CH2-CG2 4.27Å; W1575-T1579 HydrophobicContact CZ2-CG2 3.65Å; W1575-T1579 WeakPolarHBondContact O-CG2 3.47Å; W1575-T1579 PolarHBondContact O-N 3Å; W1575-T1579 PolarHBondContact O-OG1 3.12Å |
| 1576 | Y | 86 | Confident | 82.5 | Confident | 29 Ų | 29 | 21.2 Ų | 21.2 | 11% | 0.114 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.3 | -45.3 | 173.3 | -79.7 | -56.9 | 0 | 0 | 0 | 111 | V1572 K1573 I1578 T1579 Y1580 I1593 | V1572-Y1576 HydrophobicContact CG2-CD2 3.88Å; V1572-Y1576 HydrophobicContact CG2-CE2 3.51Å; V1572-Y1576 WeakPolarHBondContact O-CD2 3.35Å; V1572-Y1576 PolarHBondContact O-N 2.92Å; K1573-Y1576 PolarHBondContact O-N 3.01Å; Y1576-I1578 PolarHBondContact O-N 3.26Å; Y1576-T1579 WeakPolarHBondContact CA-OG1 3.48Å; Y1576-T1579 PolarHBondContact O-N 3.3Å; Y1576-T1579 PolarHBondContact O-OG1 3.2Å; Y1576-Y1580 WeakPolarHBondContact O-CB 3.25Å; Y1576-Y1580 PolarHBondContact O-N 3.21Å; Y1576-I1593 HydrophobicContact CE1-CD1 4.03Å; Y1576-I1593 HydrophobicContact CE2-CD1 4.17Å |
| 1577 | R | 82.5 | Confident | 81.9 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 174.7 | -62.9 | -164 | 66.3 | -153.2 | -13.7 | 112.1 | W1491 S1493 K1573 W1574 W1575 T1579 Y1580 D1581 A1719 S1723 | W1491-R1577 HydrophobicContact CH2-CB 3.69Å; W1491-R1577 HydrophobicContact CZ2-CB 4.03Å; S1493-R1577 PolarHBondContact O-NH2 3.21Å; S1493-R1577 PolarHBondContact OG-NH2 3.29Å; K1573-R1577 PolarHBondContact O-N 3.41Å; W1574-R1577 HydrophobicContact CE3-CB 4.48Å; W1574-R1577 CarbonylContact O-C 2.92Å; W1574-R1577 PolarHBondContact O-N 3.31Å; W1575-R1577 VanDerWaalsContact C-N 3.28Å; W1575-R1577 PolarHBondContact O-N 2.9Å; R1577-T1579 PolarHBondContact O-N 2.9Å; R1577-Y1580 PolarHBondContact O-N 3.07Å; R1577-D1581 IonicContact CZ-OD2 3.38Å; R1577-D1581 IonicContact NE-OD2 3.53Å; R1577-D1581 IonicContact NH2-OD2 2.66Å; R1577-D1581 PolarHBondContact NH2-OD2 3.08Å; R1577-D1581 WeakPolarHBondContact O-CA 3.43Å; R1577-D1581 VanDerWaalsContact O-CB 3.22Å; R1577-D1581 WeakPolarHBondContact O-CB 3.37Å; R1577-D1581 PolarHBondContact O-N 3.19Å; R1577-A1719 HydrophobicContact CG-CB 3.7Å; R1577-S1723 PolarHBondContact NE-OG 3.37Å |
| 1578 | I | 80.7 | Confident | 81.1 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -60.3 | -46.6 | 174.9 | -64.6 | 159.8 | 0 | 0 | 0 | 110.9 | P1466 W1468 W1491 L1515 W1574 W1575 Y1576 Y1580 L1582 L1583 | P1466-I1578 HydrophobicContact CB-CD1 3.8Å; P1466-I1578 HydrophobicContact CG-CD1 3.63Å; W1468-I1578 HydrophobicContact CH2-CD1 4.33Å; W1468-I1578 HydrophobicContact CH2-CG1 4.05Å; W1468-I1578 HydrophobicContact CZ2-CD1 3.63Å; W1468-I1578 HydrophobicContact CZ2-CG1 3.83Å; W1491-I1578 HydrophobicContact CH2-CG1 4.46Å; W1491-I1578 HydrophobicContact CZ3-CG1 3.91Å; L1515-I1578 HydrophobicContact CD2-CG2 4.09Å; W1574-I1578 VanDerWaalsContact O-CG1 3.27Å; W1574-I1578 WeakPolarHBondContact O-CG1 3.4Å; W1574-I1578 PolarHBondContact O-N 2.89Å; W1575-I1578 HydrophobicContact CE3-CD1 4.2Å; W1575-I1578 HydrophobicContact CZ3-CG2 4.48Å; W1575-I1578 PolarHBondContact O-N 2.95Å; W1575-I1578 VanDerWaalsContact O-N 3.1Å; Y1576-I1578 PolarHBondContact O-N 3.26Å; I1578-Y1580 VanDerWaalsContact C-N 3.29Å; I1578-Y1580 PolarHBondContact O-N 2.98Å; I1578-L1582 WeakPolarHBondContact O-CB 3.36Å; I1578-L1582 PolarHBondContact O-N 2.95Å; I1578-L1583 HydrophobicContact CG2-CD1 4.21Å; I1578-L1583 HydrophobicContact CG2-CG 4.3Å; I1578-L1583 PolarHBondContact O-N 3.01Å |
| 1579 | T | 84.3 | Confident | 80.4 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -63.7 | -35.2 | -179.6 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | W1575 Y1576 R1577 L1583 K1584 I1585 F1591 | W1575-T1579 HydrophobicContact CD2-CG2 4.18Å; W1575-T1579 HydrophobicContact CH2-CG2 4.27Å; W1575-T1579 HydrophobicContact CZ2-CG2 3.65Å; W1575-T1579 WeakPolarHBondContact O-CG2 3.47Å; W1575-T1579 PolarHBondContact O-N 3Å; W1575-T1579 PolarHBondContact O-OG1 3.12Å; Y1576-T1579 WeakPolarHBondContact CA-OG1 3.48Å; Y1576-T1579 PolarHBondContact O-N 3.3Å; Y1576-T1579 PolarHBondContact O-OG1 3.2Å; R1577-T1579 PolarHBondContact O-N 2.9Å; T1579-L1583 CarbonylContact O-C 3.56Å; T1579-K1584 PolarHBondContact O-N 3.24Å; T1579-K1584 VanDerWaalsContact O-N 3.1Å; T1579-I1585 HydrophobicContact CG2-CD1 4.09Å; T1579-I1585 WeakPolarHBondContact O-CB 3.28Å; T1579-I1585 PolarHBondContact O-N 3.35Å; T1579-F1591 HydrophobicContact CG2-CE2 4.4Å |
| 1580 | Y | 78.8 | Confident | 79.6 | Confident | 79 Ų | 79 | 40.3 Ų | 40.3 | 31% | 0.31 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -91 | -53 | -176.8 | -177.8 | -113.8 | 0 | 0 | 0 | 114 | Y1576 R1577 I1578 K1584 N1587 | Y1576-Y1580 WeakPolarHBondContact O-CB 3.25Å; Y1576-Y1580 PolarHBondContact O-N 3.21Å; R1577-Y1580 PolarHBondContact O-N 3.07Å; I1578-Y1580 VanDerWaalsContact C-N 3.29Å; I1578-Y1580 PolarHBondContact O-N 2.98Å; Y1580-K1584 VanDerWaalsContact O-CD 3.31Å; Y1580-K1584 WeakPolarHBondContact O-CD 3.34Å; Y1580-N1587 WeakPolarHBondContact CD2-ND2 3.4Å; Y1580-N1587 VanDerWaalsContact CD2-OD1 3.29Å; Y1580-N1587 WeakPolarHBondContact CD2-OD1 3.38Å; Y1580-N1587 WeakPolarHBondContact CE2-ND2 3.22Å |
| 1581 | D | 73.8 | Confident | 79.1 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -72.3 | -42.8 | -176.7 | -71.5 | 11.9 | 0 | 0 | 0 | 111.8 | W1491 S1493 R1577 K1584 S1723 | W1491-D1581 HydrophobicContact CH2-CB 3.88Å; W1491-D1581 HydrophobicContact CZ2-CB 4Å; W1491-D1581 WeakPolarHBondContact CZ2-OD2 3.45Å; S1493-D1581 PolarHBondContact OG-OD2 3.27Å; R1577-D1581 IonicContact CZ-OD2 3.38Å; R1577-D1581 IonicContact NE-OD2 3.53Å; R1577-D1581 IonicContact NH2-OD2 2.66Å; R1577-D1581 PolarHBondContact NH2-OD2 3.08Å; R1577-D1581 WeakPolarHBondContact O-CA 3.43Å; R1577-D1581 VanDerWaalsContact O-CB 3.22Å; R1577-D1581 WeakPolarHBondContact O-CB 3.37Å; R1577-D1581 PolarHBondContact O-N 3.19Å; D1581-K1584 WeakPolarHBondContact O-CE 3.41Å; D1581-K1584 PolarHBondContact O-NZ 3.25Å; D1581-S1723 VanDerWaalsContact OD1-CB 3.26Å; D1581-S1723 WeakPolarHBondContact OD1-CB 3.37Å; D1581-S1723 PolarHBondContact OD1-OG 3.44Å; D1581-S1723 PolarHBondContact OD2-OG 3.5Å |
| 1582 | L | 75.2 | Confident | 78.7 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 13% | 0.131 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -97.1 | -58.3 | -178 | -70.6 | -176.8 | 0 | 0 | 0 | 113.1 | W1468 W1491 L1515 I1578 K1584 | W1468-L1582 HydrophobicContact CH2-CD1 4.26Å; W1468-L1582 HydrophobicContact CZ3-CD1 4.47Å; W1491-L1582 HydrophobicContact CE3-CD1 3.57Å; W1491-L1582 HydrophobicContact CE3-CD2 4.31Å; W1491-L1582 HydrophobicContact CE3-CG 3.73Å; W1491-L1582 HydrophobicContact CZ3-CD1 3.73Å; W1491-L1582 HydrophobicContact CZ3-CG 3.72Å; L1515-L1582 HydrophobicContact CB-CD1 3.93Å; L1515-L1582 HydrophobicContact CD2-CD1 3.95Å; I1578-L1582 WeakPolarHBondContact O-CB 3.36Å; I1578-L1582 PolarHBondContact O-N 2.95Å; L1582-K1584 VanDerWaalsContact C-N 3.29Å; L1582-K1584 PolarHBondContact O-N 3.4Å |
| 1583 | L | 77.9 | Confident | 78.6 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -80.8 | -6.2 | -171.2 | -56.5 | 178.2 | 0 | 0 | 0 | 114.1 | L1550 I1578 T1579 I1585 | L1550-L1583 HydrophobicContact CD2-CD2 3.59Å; I1578-L1583 HydrophobicContact CG2-CD1 4.21Å; I1578-L1583 HydrophobicContact CG2-CG 4.3Å; I1578-L1583 PolarHBondContact O-N 3.01Å; T1579-L1583 CarbonylContact O-C 3.56Å; L1583-I1585 HydrophobicContact CB-CD1 4.22Å; L1583-I1585 HydrophobicContact CB-CG1 3.99Å; L1583-I1585 HydrophobicContact CD1-CD1 4.38Å; L1583-I1585 PolarHBondContact O-N 3.03Å; L1583-I1585 VanDerWaalsContact O-N 3.15Å |
| 1584 | K | 77.2 | Confident | 78.5 | Confident | 148 Ų | 148 | 43.2 Ų | 43.2 | 64% | 0.643 | 20% | 0.202 | S | C | * | . | trans | 52.9 | 31 | 179 | -54.1 | -46.9 | -165.5 | -172.5 | 0 | 114.8 | T1579 Y1580 D1581 L1582 P1586 | T1579-K1584 PolarHBondContact O-N 3.24Å; T1579-K1584 VanDerWaalsContact O-N 3.1Å; Y1580-K1584 VanDerWaalsContact O-CD 3.31Å; Y1580-K1584 WeakPolarHBondContact O-CD 3.34Å; D1581-K1584 WeakPolarHBondContact O-CE 3.41Å; D1581-K1584 PolarHBondContact O-NZ 3.25Å; L1582-K1584 VanDerWaalsContact C-N 3.29Å; L1582-K1584 PolarHBondContact O-N 3.4Å; K1584-P1586 WeakPolarHBondContact O-CD 3.37Å | ||
| 1585 | I | 79.8 | Confident | 78.8 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | trans | -69.7 | 126.1 | 174.4 | -57.9 | -177.2 | 0 | 0 | 0 | 108.8 | Y1554 F1557 T1579 L1583 N1587 I1589 F1591 | Y1554-I1585 HydrophobicContact CD2-CG1 4.18Å; F1557-I1585 HydrophobicContact CB-CD1 4.08Å; F1557-I1585 HydrophobicContact CD2-CD1 3.99Å; F1557-I1585 HydrophobicContact CG-CD1 4.18Å; T1579-I1585 HydrophobicContact CG2-CD1 4.09Å; T1579-I1585 WeakPolarHBondContact O-CB 3.28Å; T1579-I1585 PolarHBondContact O-N 3.35Å; L1583-I1585 HydrophobicContact CB-CD1 4.22Å; L1583-I1585 HydrophobicContact CB-CG1 3.99Å; L1583-I1585 HydrophobicContact CD1-CD1 4.38Å; L1583-I1585 PolarHBondContact O-N 3.03Å; L1583-I1585 VanDerWaalsContact O-N 3.15Å; I1585-N1587 PolarHBondContact O-N 3.18Å; I1585-I1589 HydrophobicContact CG2-CB 4.21Å; I1585-I1589 HydrophobicContact CG2-CD1 3.86Å; I1585-I1589 HydrophobicContact CG2-CG2 4.44Å; I1585-F1591 HydrophobicContact CD1-CZ 4.31Å; I1585-F1591 HydrophobicContact CG2-CE2 4.25Å; I1585-F1591 HydrophobicContact CG2-CZ 4.13Å | ||
| 1586 | P | 73.3 | Confident | 78.6 | Confident | 48 Ų | 48 | 42.9 Ų | 42.9 | 31% | 0.312 | 20% | 0.2 | S | C | . | . | trans | -61.4 | 134.2 | 178.6 | -26.4 | 34.6 | 0 | 0 | 0 | 113.3 | K1584 Q1588 I1589 | K1584-P1586 WeakPolarHBondContact O-CD 3.37Å; P1586-Q1588 PolarHBondContact O-N 2.89Å; P1586-I1589 WeakPolarHBondContact O-CB 3.49Å; P1586-I1589 PolarHBondContact O-N 3.31Å | ||
| 1587 | N | 67.8 | Low | 78.6 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 33% | 0.326 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -13.3 | 178.7 | -64.9 | -43.2 | 0 | 0 | 0 | 114.9 | Y1580 I1585 I1589 R1720 | Y1580-N1587 WeakPolarHBondContact CD2-ND2 3.4Å; Y1580-N1587 VanDerWaalsContact CD2-OD1 3.29Å; Y1580-N1587 WeakPolarHBondContact CD2-OD1 3.38Å; Y1580-N1587 WeakPolarHBondContact CE2-ND2 3.22Å; I1585-N1587 PolarHBondContact O-N 3.18Å; N1587-I1589 PolarHBondContact O-N 3.45Å; N1587-R1720 WeakPolarHBondContact ND2-CD 3.34Å |
| 1588 | Q | 70.2 | Confident | 78.7 | Confident | 174 Ų | 174 | 41.5 Ų | 41.5 | 81% | 0.813 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -23.7 | 173.2 | -66.9 | 165.8 | -15.9 | 0 | 0 | 112.2 | P1586 K1590 | P1586-Q1588 PolarHBondContact O-N 2.89Å; Q1588-K1590 PolarHBondContact O-N 2.82Å; Q1588-K1590 VanDerWaalsContact O-N 3.15Å |
| 1589 | I | 73.8 | Confident | 78.7 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | trans | -82.7 | 88.4 | 179 | -60 | 175.9 | 0 | 0 | 0 | 108.9 | I1558 H1561 I1585 P1586 N1587 F1591 | I1558-I1589 HydrophobicContact CD1-CD1 4.48Å; I1558-I1589 HydrophobicContact CG1-CD1 3.82Å; H1561-I1589 HydrophobicContact CB-CG2 3.68Å; I1585-I1589 HydrophobicContact CG2-CB 4.21Å; I1585-I1589 HydrophobicContact CG2-CD1 3.86Å; I1585-I1589 HydrophobicContact CG2-CG2 4.44Å; P1586-I1589 WeakPolarHBondContact O-CB 3.49Å; P1586-I1589 PolarHBondContact O-N 3.31Å; N1587-I1589 PolarHBondContact O-N 3.45Å; I1589-F1591 HydrophobicContact CG2-CD1 4.48Å; I1589-F1591 HydrophobicContact CG2-CE1 3.87Å; I1589-F1591 HydrophobicContact CG2-CE2 4.1Å; I1589-F1591 HydrophobicContact CG2-CZ 3.65Å; I1589-F1591 PolarHBondContact O-N 2.63Å | ||
| 1590 | K | 72.4 | Confident | 78.5 | Confident | 146 Ų | 146 | 43.9 Ų | 43.9 | 64% | 0.635 | 21% | 0.209 | S | C | * | . | trans | -77.8 | 104.8 | 176.5 | -65.5 | -174.1 | -178.9 | 180 | 0 | 110.5 | H1561 Q1588 | H1561-K1590 PolarHBondContact CE1-O 3.19Å; H1561-K1590 PolarHBondContact ND1-O 3.34Å; Q1588-K1590 PolarHBondContact O-N 2.82Å; Q1588-K1590 VanDerWaalsContact O-N 3.15Å | ||
| 1591 | F | 79 | Confident | 78.9 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | trans | -74.6 | 141 | 170.7 | -59.1 | -74.5 | 0 | 0 | 0 | 111.4 | F1557 H1561 L1567 T1579 I1585 I1589 I1593 | F1557-F1591 HydrophobicContact CB-CE1 3.9Å; F1557-F1591 HydrophobicContact CB-CZ 3.92Å; F1557-F1591 AromaticContact CD1-CE1 3.81Å; F1557-F1591 HydrophobicContact CD1-CE1 3.81Å; F1557-F1591 HydrophobicContact CD1-CZ 4.13Å; F1557-F1591 HydrophobicContact CG-CE1 4.23Å; F1557-F1591 HydrophobicContact CG-CZ 4.25Å; H1561-F1591 HydrophobicContact CB-CD1 4.45Å; H1561-F1591 HydrophobicContact CB-CE1 4.38Å; L1567-F1591 HydrophobicContact CD1-CB 4.26Å; L1567-F1591 HydrophobicContact CD1-CD1 4Å; L1567-F1591 HydrophobicContact CD1-CG 4.15Å; T1579-F1591 HydrophobicContact CG2-CE2 4.4Å; I1585-F1591 HydrophobicContact CD1-CZ 4.31Å; I1585-F1591 HydrophobicContact CG2-CE2 4.25Å; I1585-F1591 HydrophobicContact CG2-CZ 4.13Å; I1589-F1591 HydrophobicContact CG2-CD1 4.48Å; I1589-F1591 HydrophobicContact CG2-CE1 3.87Å; I1589-F1591 HydrophobicContact CG2-CE2 4.1Å; I1589-F1591 HydrophobicContact CG2-CZ 3.65Å; I1589-F1591 PolarHBondContact O-N 2.63Å; F1591-I1593 HydrophobicContact CB-CD1 4.28Å; F1591-I1593 HydrophobicContact CB-CG1 3.95Å; F1591-I1593 PolarHBondContact O-N 2.99Å | ||
| 1592 | Q | 79.6 | Confident | 79.3 | Confident | 55 Ų | 55 | 39.2 Ų | 39.2 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | trans | -80.4 | 109.3 | 166.6 | -174.9 | 163.4 | 24.9 | 0 | 0 | 108.9 | N1564 G1566 L1567 | N1564-Q1592 PolarHBondContact ND2-OE1 3.07Å; G1566-Q1592 CarbonylContact C-O 3.52Å; G1566-Q1592 WeakPolarHBondContact CA-O 3.48Å; L1567-Q1592 PolarHBondContact N-O 3.22Å | ||
| 1593 | I | 84.4 | Confident | 79.5 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.7 | -174.8 | -60.1 | 177.5 | 0 | 0 | 0 | 110 | L1567 V1569 V1572 Y1576 F1591 L1712 | L1567-I1593 HydrophobicContact CB-CG1 4.46Å; L1567-I1593 CarbonylContact O-C 3.05Å; L1567-I1593 WeakPolarHBondContact O-CA 3.37Å; V1569-I1593 HydrophobicContact CB-CG2 4.14Å; V1569-I1593 HydrophobicContact CG2-CG2 4.29Å; V1572-I1593 HydrophobicContact CB-CG2 4.3Å; V1572-I1593 HydrophobicContact CG2-CB 4.41Å; V1572-I1593 HydrophobicContact CG2-CD1 3.84Å; V1572-I1593 HydrophobicContact CG2-CG2 3.88Å; Y1576-I1593 HydrophobicContact CE1-CD1 4.03Å; Y1576-I1593 HydrophobicContact CE2-CD1 4.17Å; F1591-I1593 HydrophobicContact CB-CD1 4.28Å; F1591-I1593 HydrophobicContact CB-CG1 3.95Å; F1591-I1593 PolarHBondContact O-N 2.99Å; I1593-L1712 WeakPolarHBondContact O-CD1 3.35Å |
| 1594 | Y | 84.6 | Confident | 79.7 | Confident | 26 Ų | 26 | 42 Ų | 42 | 10% | 0.102 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 117.3 | 162.7 | -179.3 | -93.1 | 0 | 0 | 0 | 109 | L1567 I1568 V1569 P1596 T1599 W1691 L1699 | L1567-Y1594 PolarHBondContact O-N 3.19Å; I1568-Y1594 WeakPolarHBondContact CA-O 3.34Å; I1568-Y1594 HydrophobicContact CG1-CD1 4.17Å; I1568-Y1594 HydrophobicContact CG2-CD1 4.4Å; V1569-Y1594 PolarHBondContact N-O 3.27Å; Y1594-P1596 HydrophobicContact CD1-CG 4.14Å; Y1594-P1596 HydrophobicContact CE1-CB 4.15Å; Y1594-P1596 HydrophobicContact CE1-CG 3.85Å; Y1594-T1599 HydrophobicContact CE2-CG2 4.4Å; Y1594-W1691 HydrophobicContact CE1-CB 4.3Å; Y1594-W1691 AromaticContact CE1-CD1 3.47Å; Y1594-W1691 VanDerWaalsContact CE1-CD1 3.47Å; Y1594-W1691 AromaticContact CE1-CG 3.98Å; Y1594-W1691 HydrophobicContact CE1-CG 3.98Å; Y1594-W1691 AromaticContact CZ-CD1 3.94Å; Y1594-L1699 HydrophobicContact CE2-CD1 4.28Å |
| 1595 | N | 86.5 | Confident | 80 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -109.2 | 109.4 | 176.4 | -174.1 | -84.7 | 0 | 0 | 0 | 109.8 | V1569 W1570 V1572 N1597 L1598 T1599 L1712 | V1569-N1595 PolarHBondContact O-ND2 3.12Å; W1570-N1595 VanDerWaalsContact C-ND2 3.31Å; W1570-N1595 PolarHBondContact O-ND2 3.46Å; V1572-N1595 HydrophobicContact CB-CB 4.19Å; V1572-N1595 HydrophobicContact CG1-CB 4.09Å; V1572-N1595 PolarHBondContact N-ND2 2.89Å; N1595-N1597 VanDerWaalsContact C-N 3.3Å; N1595-N1597 PolarHBondContact O-N 3.37Å; N1595-N1597 PolarHBondContact OD1-N 3.36Å; N1595-L1598 HydrophobicContact CB-CB 4.12Å; N1595-L1598 VanDerWaalsContact OD1-CB 3.23Å; N1595-L1598 WeakPolarHBondContact OD1-CB 3.13Å; N1595-L1598 PolarHBondContact OD1-N 3.26Å; N1595-T1599 WeakPolarHBondContact O-CB 3.29Å; N1595-T1599 PolarHBondContact O-N 2.99Å; N1595-T1599 VanDerWaalsContact O-N 3.11Å; N1595-T1599 PolarHBondContact O-OG1 2.91Å; N1595-L1712 HydrophobicContact CB-CD2 4.17Å | ||
| 1596 | P | 83.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.8 | -36.5 | -177.4 | -18.4 | 28.2 | 0 | 0 | 0 | 112.8 | I1568 W1570 Y1594 T1599 N1600 L1688 W1691 | I1568-P1596 HydrophobicContact CG2-CG 4.23Å; W1570-P1596 HydrophobicContact CE3-CB 4.31Å; W1570-P1596 HydrophobicContact CE3-CG 4.3Å; W1570-P1596 HydrophobicContact CZ3-CB 3.95Å; W1570-P1596 HydrophobicContact CZ3-CG 4.4Å; Y1594-P1596 HydrophobicContact CD1-CG 4.14Å; Y1594-P1596 HydrophobicContact CE1-CB 4.15Å; Y1594-P1596 HydrophobicContact CE1-CG 3.85Å; P1596-T1599 PolarHBondContact O-N 3.35Å; P1596-N1600 WeakPolarHBondContact O-CB 3.48Å; P1596-N1600 VanDerWaalsContact O-CG 3.26Å; P1596-N1600 PolarHBondContact O-N 3.4Å; P1596-N1600 PolarHBondContact O-ND2 3.13Å; P1596-N1600 VanDerWaalsContact O-ND2 3.14Å; P1596-L1688 HydrophobicContact CG-CD2 4.27Å; P1596-W1691 HydrophobicContact CB-CD2 4.32Å; P1596-W1691 HydrophobicContact CB-CH2 4.44Å; P1596-W1691 HydrophobicContact CB-CZ2 3.82Å; P1596-W1691 HydrophobicContact CG-CD2 4.06Å; P1596-W1691 HydrophobicContact CG-CE3 4.43Å; P1596-W1691 HydrophobicContact CG-CG 4.43Å; P1596-W1691 HydrophobicContact CG-CZ2 4.34Å |
| 1597 | N | 84.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67 | -50 | -174.2 | -157.3 | -17.3 | 0 | 0 | 0 | 111.8 | W1570 N1595 T1599 N1600 W1601 Q1609 S1610 | W1570-N1597 HydrophobicContact CD2-CB 4.39Å; W1570-N1597 HydrophobicContact CE3-CB 4.33Å; W1570-N1597 HydrophobicContact CH2-CB 3.92Å; W1570-N1597 HydrophobicContact CZ2-CB 3.98Å; W1570-N1597 WeakPolarHBondContact CZ2-ND2 3.18Å; W1570-N1597 HydrophobicContact CZ3-CB 4.12Å; N1595-N1597 VanDerWaalsContact C-N 3.3Å; N1595-N1597 PolarHBondContact O-N 3.37Å; N1595-N1597 PolarHBondContact OD1-N 3.36Å; N1597-T1599 VanDerWaalsContact C-N 3.34Å; N1597-T1599 PolarHBondContact O-N 3.02Å; N1597-N1600 PolarHBondContact O-N 3.06Å; N1597-W1601 PolarHBondContact O-N 2.92Å; N1597-Q1609 VanDerWaalsContact ND2-CG 3.3Å; N1597-Q1609 WeakPolarHBondContact ND2-CG 3.46Å; N1597-Q1609 PolarHBondContact ND2-NE2 2.85Å; N1597-S1610 VanDerWaalsContact CG-OG 3.31Å; N1597-S1610 PolarHBondContact ND2-O 2.88Å; N1597-S1610 VanDerWaalsContact ND2-O 3.11Å; N1597-S1610 PolarHBondContact OD1-N 3.28Å; N1597-S1610 PolarHBondContact OD1-OG 3.22Å |
| 1598 | L | 84.5 | Confident | 80.9 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -38.7 | 174 | -169.2 | 67.5 | 0 | 0 | 0 | 112 | N1595 W1601 L1602 L1707 E1711 L1712 Q1715 V1870 Y1871 | N1595-L1598 HydrophobicContact CB-CB 4.12Å; N1595-L1598 VanDerWaalsContact OD1-CB 3.23Å; N1595-L1598 WeakPolarHBondContact OD1-CB 3.13Å; N1595-L1598 PolarHBondContact OD1-N 3.26Å; L1598-W1601 HydrophobicContact CD1-CE3 3.75Å; L1598-W1601 HydrophobicContact CD1-CZ3 3.99Å; L1598-L1602 WeakPolarHBondContact O-CG 3.36Å; L1598-L1602 PolarHBondContact O-N 2.76Å; L1598-L1602 VanDerWaalsContact O-N 3.08Å; L1598-L1707 HydrophobicContact CB-CD1 4.47Å; L1598-L1707 HydrophobicContact CD2-CD1 3.71Å; L1598-L1707 HydrophobicContact CG-CD1 3.91Å; L1598-E1711 HydrophobicContact CD1-CB 4.42Å; L1598-E1711 HydrophobicContact CD2-CB 4.05Å; L1598-E1711 HydrophobicContact CG-CB 4.41Å; L1598-L1712 HydrophobicContact CD2-CD2 3.83Å; L1598-L1712 HydrophobicContact CD2-CG 4.11Å; L1598-Q1715 HydrophobicContact CD2-CG 4.16Å; L1598-V1870 HydrophobicContact CD1-CG2 3.87Å; L1598-Y1871 HydrophobicContact CD1-CE1 4.26Å |
| 1599 | T | 81.4 | Confident | 81.5 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 18% | 0.184 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 174.9 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | Y1594 N1595 P1596 N1597 L1602 T1603 | Y1594-T1599 HydrophobicContact CE2-CG2 4.4Å; N1595-T1599 WeakPolarHBondContact O-CB 3.29Å; N1595-T1599 PolarHBondContact O-N 2.99Å; N1595-T1599 VanDerWaalsContact O-N 3.11Å; N1595-T1599 PolarHBondContact O-OG1 2.91Å; P1596-T1599 PolarHBondContact O-N 3.35Å; N1597-T1599 VanDerWaalsContact C-N 3.34Å; N1597-T1599 PolarHBondContact O-N 3.02Å; T1599-L1602 PolarHBondContact O-N 2.75Å; T1599-T1603 PolarHBondContact O-N 2.7Å |
| 1600 | N | 80.9 | Confident | 81.7 | Confident | 29 Ų | 29 | 30 Ų | 30 | 16% | 0.155 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69 | -42.8 | 179.3 | -73.5 | -33.4 | 0 | 0 | 0 | 112.3 | P1596 N1597 L1602 T1603 N1604 E1615 | P1596-N1600 WeakPolarHBondContact O-CB 3.48Å; P1596-N1600 VanDerWaalsContact O-CG 3.26Å; P1596-N1600 PolarHBondContact O-N 3.4Å; P1596-N1600 PolarHBondContact O-ND2 3.13Å; P1596-N1600 VanDerWaalsContact O-ND2 3.14Å; N1597-N1600 PolarHBondContact O-N 3.06Å; N1600-L1602 VanDerWaalsContact C-N 3.3Å; N1600-L1602 PolarHBondContact O-N 3.31Å; N1600-T1603 PolarHBondContact O-N 2.96Å; N1600-T1603 PolarHBondContact O-OG1 3.47Å; N1600-N1604 PolarHBondContact O-N 3.43Å; N1600-N1604 VanDerWaalsContact O-N 3.16Å; N1600-E1615 WeakPolarHBondContact ND2-CG 3.45Å; N1600-E1615 PolarHBondContact ND2-OE2 3.2Å |
| 1601 | W | 86.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.4 | -42.9 | 173.9 | 165.9 | 75.1 | 0 | 0 | 0 | 112.1 | N1597 L1598 T1603 N1604 P1605 E1711 V1870 Y1871 T1872 H2086 | N1597-W1601 PolarHBondContact O-N 2.92Å; L1598-W1601 HydrophobicContact CD1-CE3 3.75Å; L1598-W1601 HydrophobicContact CD1-CZ3 3.99Å; W1601-T1603 PolarHBondContact O-N 3.07Å; W1601-N1604 CarbonylContact O-C 3.58Å; W1601-N1604 PolarHBondContact O-N 3.16Å; W1601-P1605 WeakPolarHBondContact O-CA 3.28Å; W1601-P1605 WeakPolarHBondContact O-CD 3.4Å; W1601-P1605 WeakPolarHBondContact O-CG 3.17Å; W1601-E1711 HydrophobicContact CZ3-CG 4.25Å; W1601-V1870 WeakPolarHBondContact CZ2-O 3.12Å; W1601-Y1871 HydrophobicContact CB-CD1 3.7Å; W1601-Y1871 HydrophobicContact CB-CE1 4.06Å; W1601-Y1871 AromaticContact CD1-CD1 3.99Å; W1601-Y1871 HydrophobicContact CD2-CD1 4.06Å; W1601-Y1871 AromaticContact CG-CD1 3.61Å; W1601-Y1871 HydrophobicContact CG-CD1 3.61Å; W1601-Y1871 HydrophobicContact CG-CE1 4.36Å; W1601-T1872 WeakPolarHBondContact CZ2-O 3.46Å; W1601-T1872 PolarHBondContact NE1-O 2.97Å; W1601-H2086 AromaticContact CH2-NE2 3.78Å; W1601-H2086 AromaticContact CZ2-NE2 3.8Å |
| 1602 | L | 83 | Confident | 82.7 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58 | -30.8 | 174.9 | -80.2 | 178.8 | 0 | 0 | 0 | 113.6 | L1598 T1599 N1600 Q1703 L1706 L1707 E1711 | L1598-L1602 WeakPolarHBondContact O-CG 3.36Å; L1598-L1602 PolarHBondContact O-N 2.76Å; L1598-L1602 VanDerWaalsContact O-N 3.08Å; T1599-L1602 PolarHBondContact O-N 2.75Å; N1600-L1602 VanDerWaalsContact C-N 3.3Å; N1600-L1602 PolarHBondContact O-N 3.31Å; L1602-Q1703 PolarHBondContact O-OE1 3.44Å; L1602-L1706 HydrophobicContact CD2-CD2 3.84Å; L1602-L1706 HydrophobicContact CD2-CG 4.46Å; L1602-L1707 HydrophobicContact CD1-CB 3.82Å; L1602-L1707 HydrophobicContact CD1-CD1 3.82Å; L1602-L1707 HydrophobicContact CD1-CG 4.34Å; L1602-E1711 HydrophobicContact CD2-CG 4.26Å |
| 1603 | T | 78.8 | Confident | 83 | Confident | 84 Ų | 84 | 22.8 Ų | 22.8 | 52% | 0.515 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -80.5 | -25.6 | 175.3 | 69.6 | 0 | 0 | 0 | 0 | 114.1 | T1599 N1600 W1601 | T1599-T1603 PolarHBondContact O-N 2.7Å; N1600-T1603 PolarHBondContact O-N 2.96Å; N1600-T1603 PolarHBondContact O-OG1 3.47Å; W1601-T1603 PolarHBondContact O-N 3.07Å |
| 1604 | N | 80.9 | Confident | 82.9 | Confident | 25 Ų | 25 | 24.7 Ų | 24.7 | 13% | 0.134 | 14% | 0.143 | C | C | . | . | trans | -148.5 | 80.9 | 176.4 | -170.3 | 5.6 | 0 | 0 | 0 | 112.5 | N1600 W1601 D1606 Q1607 L2089 | N1600-N1604 PolarHBondContact O-N 3.43Å; N1600-N1604 VanDerWaalsContact O-N 3.16Å; W1601-N1604 CarbonylContact O-C 3.58Å; W1601-N1604 PolarHBondContact O-N 3.16Å; N1604-D1606 PolarHBondContact O-N 2.95Å; N1604-Q1607 HydrophobicContact CB-CG 4.43Å; N1604-Q1607 WeakPolarHBondContact ND2-CG 3.24Å; N1604-Q1607 PolarHBondContact ND2-NE2 3.47Å; N1604-Q1607 VanDerWaalsContact ND2-NE2 3.11Å; N1604-Q1607 PolarHBondContact O-N 3.36Å; N1604-L2089 HydrophobicContact CB-CD1 4.48Å | ||
| 1605 | P | 83.6 | Confident | 82.8 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -14.2 | -173.2 | -26.3 | 35.7 | 0 | 0 | 0 | 115.4 | W1601 A1873 H2086 I2087 | W1601-P1605 WeakPolarHBondContact O-CA 3.28Å; W1601-P1605 WeakPolarHBondContact O-CD 3.4Å; W1601-P1605 WeakPolarHBondContact O-CG 3.17Å; P1605-A1873 HydrophobicContact CB-CB 4.47Å; P1605-A1873 WeakPolarHBondContact O-CA 3.44Å; P1605-A1873 WeakPolarHBondContact O-CB 3.25Å; P1605-H2086 WeakPolarHBondContact CG-CE1 3.4Å; P1605-H2086 WeakPolarHBondContact CG-NE2 3.16Å; P1605-I2087 VanDerWaalsContact CD-O 3.27Å; P1605-I2087 WeakPolarHBondContact CD-O 3.42Å; P1605-I2087 VanDerWaalsContact CG-O 3.27Å; P1605-I2087 WeakPolarHBondContact CG-O 3.2Å |
| 1606 | D | 82.9 | Confident | 82.7 | Confident | 50 Ų | 50 | 24 Ų | 24 | 27% | 0.267 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8.5 | 176.1 | -89.2 | -64.9 | 0 | 0 | 0 | 114.1 | N1604 R2088 | N1604-D1606 PolarHBondContact O-N 2.95Å; D1606-R2088 VanDerWaalsContact CG-NH2 3.25Å; D1606-R2088 IonicContact OD1-CZ 2.69Å; D1606-R2088 IonicContact OD1-NE 2.81Å; D1606-R2088 IonicContact OD1-NH2 3.66Å; D1606-R2088 PolarHBondContact OD1-NH2 2.94Å; D1606-R2088 IonicContact OD2-CZ 2.78Å; D1606-R2088 VanDerWaalsContact OD2-CZ 3.26Å; D1606-R2088 IonicContact OD2-NE 3.6Å; D1606-R2088 PolarHBondContact OD2-NE 2.73Å; D1606-R2088 IonicContact OD2-NH2 3.84Å; D1606-R2088 PolarHBondContact OD2-NH2 2.88Å |
| 1607 | Q | 75.8 | Confident | 82.7 | Confident | 59 Ų | 59 | 28 Ų | 28 | 28% | 0.276 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -79.3 | -21.6 | 168.7 | -80.4 | 171.6 | -3.3 | 0 | 0 | 112.8 | Y1302 N1604 | Y1302-Q1607 PolarHBondContact OH-NE2 2.97Å; N1604-Q1607 HydrophobicContact CB-CG 4.43Å; N1604-Q1607 WeakPolarHBondContact ND2-CG 3.24Å; N1604-Q1607 PolarHBondContact ND2-NE2 3.47Å; N1604-Q1607 VanDerWaalsContact ND2-NE2 3.11Å; N1604-Q1607 PolarHBondContact O-N 3.36Å |
| 1608 | G | 82.7 | Confident | 82.5 | Confident | 17 Ų | 17 | 34.3 Ų | 34.3 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | trans | 67.1 | -133.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1871 | G1608-Y1871 WeakPolarHBondContact CA-O 3.45Š| ||
| 1609 | Q | 81.1 | Confident | 82.3 | Confident | 63 Ų | 63 | 35.9 Ų | 35.9 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -83.6 | 128.3 | -178.7 | -166.1 | 170.7 | 15.6 | 0 | 0 | 111.7 | N1597 Y1871 | N1597-Q1609 VanDerWaalsContact ND2-CG 3.3Å; N1597-Q1609 WeakPolarHBondContact ND2-CG 3.46Å; N1597-Q1609 PolarHBondContact ND2-NE2 2.85Å; Q1609-Y1871 HydrophobicContact CB-CD1 4.46Å; Q1609-Y1871 HydrophobicContact CB-CD2 3.68Å; Q1609-Y1871 HydrophobicContact CB-CE2 4.11Å; Q1609-Y1871 HydrophobicContact CB-CG 3.92Å; Q1609-Y1871 VanDerWaalsContact CD-CE2 3.41Å; Q1609-Y1871 HydrophobicContact CG-CD2 3.72Å; Q1609-Y1871 HydrophobicContact CG-CE1 4.47Å; Q1609-Y1871 HydrophobicContact CG-CE2 3.59Å; Q1609-Y1871 HydrophobicContact CG-CG 4.28Å |
| 1610 | S | 79.8 | Confident | 82.3 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | trans | -82.9 | 167.8 | 177.6 | 67 | 0 | 0 | 0 | 0 | 112.9 | W1570 N1597 | W1570-S1610 WeakPolarHBondContact CZ2-O 3.3Å; N1597-S1610 VanDerWaalsContact CG-OG 3.31Å; N1597-S1610 PolarHBondContact ND2-O 2.88Å; N1597-S1610 VanDerWaalsContact ND2-O 3.11Å; N1597-S1610 PolarHBondContact OD1-N 3.28Å; N1597-S1610 PolarHBondContact OD1-OG 3.22Å | ||
| 1611 | S | 85.1 | Confident | 82.3 | Confident | 40 Ų | 40 | 38.6 Ų | 38.6 | 28% | 0.28 | 21% | 0.212 | S | C | . | . | trans | -106.3 | 141.9 | 177.9 | 122.6 | 0 | 0 | 0 | 0 | 110.7 | W1570 L1613 S1614 E1615 E1638 | W1570-S1611 VanDerWaalsContact CH2-C 3.44Å; W1570-S1611 VanDerWaalsContact CZ2-C 3.48Å; S1611-L1613 PolarHBondContact O-N 2.62Å; S1611-L1613 PolarHBondContact OG-N 3.24Å; S1611-S1614 PolarHBondContact N-OG 3.22Å; S1611-S1614 PolarHBondContact O-N 3.41Å; S1611-S1614 PolarHBondContact O-OG 2.71Å; S1611-S1614 PolarHBondContact OG-N 3.42Å; S1611-S1614 VanDerWaalsContact OG-N 3.07Å; S1611-S1614 PolarHBondContact OG-OG 2.98Å; S1611-E1615 VanDerWaalsContact O-CG 3.27Å; S1611-E1615 WeakPolarHBondContact O-CG 3.48Å; S1611-E1615 PolarHBondContact O-N 2.91Å; S1611-E1615 VanDerWaalsContact O-N 3.17Å; S1611-E1638 WeakPolarHBondContact CB-OE1 3.42Å; S1611-E1638 PolarHBondContact OG-OE1 3.17Å | ||
| 1612 | L | 87 | Confident | 81.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.4 | -39.3 | -178.5 | 177 | 63.4 | 0 | 0 | 0 | 110.6 | W1570 E1615 A1616 E1638 P1639 Q1684 L1687 L1688 W1691 | W1570-L1612 HydrophobicContact CD2-CB 4.17Å; W1570-L1612 HydrophobicContact CD2-CD1 4.36Å; W1570-L1612 HydrophobicContact CE3-CB 4.17Å; W1570-L1612 HydrophobicContact CE3-CD1 3.67Å; W1570-L1612 HydrophobicContact CE3-CG 4.47Å; W1570-L1612 VanDerWaalsContact CH2-CA 3.4Å; W1570-L1612 HydrophobicContact CH2-CB 4.03Å; W1570-L1612 HydrophobicContact CH2-CD1 4.47Å; W1570-L1612 VanDerWaalsContact CH2-N 3.31Å; W1570-L1612 HydrophobicContact CZ2-CB 3.99Å; W1570-L1612 HydrophobicContact CZ3-CB 4.09Å; W1570-L1612 HydrophobicContact CZ3-CD1 3.73Å; L1612-E1615 PolarHBondContact O-N 3.11Å; L1612-A1616 WeakPolarHBondContact O-CB 3.37Å; L1612-A1616 PolarHBondContact O-N 3.01Å; L1612-E1638 PolarHBondContact N-OE1 2.84Å; L1612-E1638 PolarHBondContact N-OE2 3.3Å; L1612-P1639 HydrophobicContact CB-CG 4.24Å; L1612-P1639 HydrophobicContact CD2-CG 3.98Å; L1612-Q1684 HydrophobicContact CD2-CB 4.48Å; L1612-L1687 HydrophobicContact CD2-CB 4.08Å; L1612-L1687 HydrophobicContact CD2-CD1 4.36Å; L1612-L1687 HydrophobicContact CG-CB 4.38Å; L1612-L1688 HydrophobicContact CD1-CD2 3.7Å; L1612-L1688 HydrophobicContact CD1-CG 4.18Å; L1612-L1688 HydrophobicContact CD2-CG 4.36Å; L1612-W1691 HydrophobicContact CD1-CH2 3.9Å; L1612-W1691 HydrophobicContact CD1-CZ3 3.77Å |
| 1613 | L | 85.6 | Confident | 81.7 | Confident | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.12 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 179 | -165.3 | 76.5 | 0 | 0 | 0 | 111.7 | S1611 E1615 Q1617 V1624 L1628 L1637 E1638 | S1611-L1613 PolarHBondContact O-N 2.62Å; S1611-L1613 PolarHBondContact OG-N 3.24Å; L1613-E1615 PolarHBondContact O-N 3.25Å; L1613-Q1617 VanDerWaalsContact O-CB 3.25Å; L1613-Q1617 WeakPolarHBondContact O-CB 3.41Å; L1613-Q1617 PolarHBondContact O-N 3.19Å; L1613-V1624 HydrophobicContact CD1-CG1 3.57Å; L1613-V1624 HydrophobicContact CG-CG1 4.15Å; L1613-L1628 HydrophobicContact CD1-CD1 4.08Å; L1613-L1628 HydrophobicContact CD1-CD2 3.93Å; L1613-L1628 HydrophobicContact CD1-CG 4.03Å; L1613-L1628 HydrophobicContact CD2-CD1 4.13Å; L1613-L1628 HydrophobicContact CD2-CD2 3.83Å; L1613-L1628 HydrophobicContact CD2-CG 4.47Å; L1613-L1628 HydrophobicContact CG-CD1 4.4Å; L1613-L1637 HydrophobicContact CD1-CB 4.27Å; L1613-L1637 HydrophobicContact CD1-CD1 4.11Å; L1613-E1638 WeakPolarHBondContact CB-OE1 3.47Å; L1613-E1638 PolarHBondContact N-OE1 2.94Å |
| 1614 | S | 81.7 | Confident | 81.8 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -32.4 | 180 | 69 | 0 | 0 | 0 | 0 | 112.3 | S1611 K1618 | S1611-S1614 PolarHBondContact N-OG 3.22Å; S1611-S1614 PolarHBondContact O-N 3.41Å; S1611-S1614 PolarHBondContact O-OG 2.71Å; S1611-S1614 PolarHBondContact OG-N 3.42Å; S1611-S1614 VanDerWaalsContact OG-N 3.07Å; S1611-S1614 PolarHBondContact OG-OG 2.98Å; S1614-K1618 WeakPolarHBondContact O-CG 3.29Å |
| 1615 | E | 83.1 | Confident | 81.8 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -85.1 | -41.5 | -179.2 | -58.4 | -51.7 | 129.5 | 0 | 0 | 112.6 | W1570 N1600 S1611 L1612 L1613 Q1617 K1618 L1619 W1691 | W1570-E1615 HydrophobicContact CH2-CG 4.4Å; N1600-E1615 WeakPolarHBondContact ND2-CG 3.45Å; N1600-E1615 PolarHBondContact ND2-OE2 3.2Å; S1611-E1615 VanDerWaalsContact O-CG 3.27Å; S1611-E1615 WeakPolarHBondContact O-CG 3.48Å; S1611-E1615 PolarHBondContact O-N 2.91Å; S1611-E1615 VanDerWaalsContact O-N 3.17Å; L1612-E1615 PolarHBondContact O-N 3.11Å; L1613-E1615 PolarHBondContact O-N 3.25Å; E1615-Q1617 PolarHBondContact O-N 2.77Å; E1615-K1618 WeakPolarHBondContact O-CB 3.36Å; E1615-K1618 PolarHBondContact O-N 3.48Å; E1615-K1618 VanDerWaalsContact O-N 3.15Å; E1615-K1618 WeakPolarHBondContact OE1-CE 3.44Å; E1615-K1618 IonicContact OE1-NZ 2.75Å; E1615-K1618 PolarHBondContact OE1-NZ 3.16Å; E1615-K1618 WeakPolarHBondContact OE2-CD 3.37Å; E1615-K1618 WeakPolarHBondContact OE2-CE 3.5Å; E1615-K1618 IonicContact OE2-NZ 3.43Å; E1615-K1618 PolarHBondContact OE2-NZ 2.76Å; E1615-L1619 PolarHBondContact O-N 3.15Å; E1615-W1691 HydrophobicContact CB-CH2 3.96Å; E1615-W1691 HydrophobicContact CB-CZ2 3.84Å |
| 1616 | A | 83.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -32.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1612 K1618 L1619 N1620 V1624 L1687 L1690 W1691 | L1612-A1616 WeakPolarHBondContact O-CB 3.37Å; L1612-A1616 PolarHBondContact O-N 3.01Å; A1616-K1618 VanDerWaalsContact C-N 3.27Å; A1616-K1618 PolarHBondContact O-N 3.49Å; A1616-L1619 PolarHBondContact O-N 2.93Å; A1616-L1619 VanDerWaalsContact O-N 3.15Å; A1616-N1620 PolarHBondContact O-N 3.17Å; A1616-V1624 HydrophobicContact CB-CG2 3.66Å; A1616-L1687 HydrophobicContact CB-CB 4.46Å; A1616-L1687 HydrophobicContact CB-CD2 4.19Å; A1616-L1690 HydrophobicContact CB-CD1 4.46Å; A1616-W1691 HydrophobicContact CB-CH2 4.14Å; A1616-W1691 HydrophobicContact CB-CZ3 4.26Å |
| 1617 | Q | 83.8 | Confident | 81.2 | Confident | 84 Ų | 84 | 44.2 Ų | 44.2 | 39% | 0.393 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.2 | -25.3 | 177.1 | -161.1 | 175 | 37.8 | 0 | 0 | 112.6 | L1613 E1615 P1621 V1624 N1625 | L1613-Q1617 VanDerWaalsContact O-CB 3.25Å; L1613-Q1617 WeakPolarHBondContact O-CB 3.41Å; L1613-Q1617 PolarHBondContact O-N 3.19Å; E1615-Q1617 PolarHBondContact O-N 2.77Å; Q1617-P1621 HydrophobicContact CG-CB 4.11Å; Q1617-P1621 WeakPolarHBondContact O-CB 3.47Å; Q1617-P1621 WeakPolarHBondContact O-CD 3.19Å; Q1617-V1624 HydrophobicContact CB-CB 4.38Å; Q1617-V1624 HydrophobicContact CB-CG1 4.05Å; Q1617-V1624 HydrophobicContact CG-CB 4.47Å; Q1617-V1624 HydrophobicContact CG-CG1 4.21Å; Q1617-N1625 PolarHBondContact NE2-OD1 3.01Å |
| 1618 | K | 80.7 | Confident | 81.3 | Confident | 132 Ų | 132 | 44 Ų | 44 | 57% | 0.574 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -72.2 | -33.1 | 170.7 | -61.3 | 171.2 | -162.9 | 170.7 | 0 | 112.2 | S1614 E1615 A1616 | S1614-K1618 WeakPolarHBondContact O-CG 3.29Å; E1615-K1618 WeakPolarHBondContact O-CB 3.36Å; E1615-K1618 PolarHBondContact O-N 3.48Å; E1615-K1618 VanDerWaalsContact O-N 3.15Å; E1615-K1618 WeakPolarHBondContact OE1-CE 3.44Å; E1615-K1618 IonicContact OE1-NZ 2.75Å; E1615-K1618 PolarHBondContact OE1-NZ 3.16Å; E1615-K1618 WeakPolarHBondContact OE2-CD 3.37Å; E1615-K1618 WeakPolarHBondContact OE2-CE 3.5Å; E1615-K1618 IonicContact OE2-NZ 3.43Å; E1615-K1618 PolarHBondContact OE2-NZ 2.76Å; A1616-K1618 VanDerWaalsContact C-N 3.27Å; A1616-K1618 PolarHBondContact O-N 3.49Å |
| 1619 | L | 80.9 | Confident | 80.7 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 18% | 0.183 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.6 | -52.9 | 178.1 | -69.4 | -174 | 0 | 0 | 0 | 112.8 | E1615 A1616 L1690 W1691 H1694 | E1615-L1619 PolarHBondContact O-N 3.15Å; A1616-L1619 PolarHBondContact O-N 2.93Å; A1616-L1619 VanDerWaalsContact O-N 3.15Å; L1619-L1690 HydrophobicContact CD1-CB 4.2Å; L1619-W1691 HydrophobicContact CD1-CD2 3.47Å; L1619-W1691 VanDerWaalsContact CD1-CD2 3.47Å; L1619-W1691 VanDerWaalsContact CD1-CE2 3.46Å; L1619-W1691 HydrophobicContact CD1-CE3 3.87Å; L1619-W1691 HydrophobicContact CD1-CG 3.82Å; L1619-W1691 HydrophobicContact CD1-CH2 4.27Å; L1619-W1691 HydrophobicContact CD1-CZ2 3.88Å; L1619-W1691 HydrophobicContact CD1-CZ3 4.25Å; L1619-W1691 HydrophobicContact CG-CZ2 4.5Å; L1619-H1694 HydrophobicContact CD2-CB 4.04Å |
| 1620 | N | 81.1 | Confident | 80.1 | Confident | 51 Ų | 51 | 49.6 Ų | 49.6 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | trans | -144.4 | 81.4 | -175.7 | -165.5 | -31.8 | 0 | 0 | 0 | 111.3 | A1616 H1622 V1623 V1624 L1690 | A1616-N1620 PolarHBondContact O-N 3.17Å; N1620-H1622 PolarHBondContact O-N 2.8Å; N1620-H1622 PolarHBondContact OD1-N 3.03Å; N1620-V1623 HydrophobicContact CB-CB 4.21Å; N1620-V1623 HydrophobicContact CB-CG2 4.46Å; N1620-V1623 WeakPolarHBondContact ND2-CG2 3.29Å; N1620-V1623 PolarHBondContact O-N 3.01Å; N1620-V1623 WeakPolarHBondContact OD1-CG2 3.33Å; N1620-V1623 PolarHBondContact OD1-N 3.24Å; N1620-V1624 PolarHBondContact O-N 3.19Å; N1620-V1624 VanDerWaalsContact O-N 3.11Å; N1620-L1690 HydrophobicContact CB-CD1 4.21Å | ||
| 1621 | P | 80.3 | Confident | 79.4 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -25.6 | -178 | 24 | -32.6 | 0 | 0 | 0 | 112.8 | Q1617 N1625 | Q1617-P1621 HydrophobicContact CG-CB 4.11Å; Q1617-P1621 WeakPolarHBondContact O-CB 3.47Å; Q1617-P1621 WeakPolarHBondContact O-CD 3.19Å; P1621-N1625 WeakPolarHBondContact O-CB 3.34Å; P1621-N1625 PolarHBondContact O-N 3.39Å; P1621-N1625 PolarHBondContact O-ND2 2.89Å; P1621-N1625 PolarHBondContact O-OD1 2.86Å |
| 1622 | H | 78.3 | Confident | 78 | Confident | 150 Ų | 150 | 49.9 Ų | 49.9 | 69% | 0.694 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68.6 | -47.1 | 177.2 | -170.7 | -67.4 | 0 | 0 | 0 | 111.8 | N1620 S1626 | N1620-H1622 PolarHBondContact O-N 2.8Å; N1620-H1622 PolarHBondContact OD1-N 3.03Å; H1622-S1626 VanDerWaalsContact O-CB 3.29Å; H1622-S1626 WeakPolarHBondContact O-CB 3.49Å; H1622-S1626 PolarHBondContact O-N 3.15Å |
| 1623 | V | 79.7 | Confident | 77 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 175.5 | 165.3 | 0 | 0 | 0 | 0 | 110.6 | I1424 N1620 S1626 M1627 F1686 L1687 L1690 | I1424-V1623 HydrophobicContact CG2-CG1 4.28Å; N1620-V1623 HydrophobicContact CB-CB 4.21Å; N1620-V1623 HydrophobicContact CB-CG2 4.46Å; N1620-V1623 WeakPolarHBondContact ND2-CG2 3.29Å; N1620-V1623 PolarHBondContact O-N 3.01Å; N1620-V1623 WeakPolarHBondContact OD1-CG2 3.33Å; N1620-V1623 PolarHBondContact OD1-N 3.24Å; V1623-S1626 PolarHBondContact O-N 3.46Å; V1623-M1627 WeakPolarHBondContact O-CG 3.09Å; V1623-M1627 PolarHBondContact O-N 3.36Å; V1623-F1686 HydrophobicContact CG1-CD1 4.47Å; V1623-F1686 HydrophobicContact CG1-CE1 3.82Å; V1623-L1687 HydrophobicContact CG1-CD2 4.36Å; V1623-L1690 HydrophobicContact CG1-CD1 4.37Å |
| 1624 | V | 80.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -45.4 | -178.3 | 173 | 0 | 0 | 0 | 0 | 112.1 | L1613 A1616 Q1617 N1620 S1626 M1627 L1628 L1687 | L1613-V1624 HydrophobicContact CD1-CG1 3.57Å; L1613-V1624 HydrophobicContact CG-CG1 4.15Å; A1616-V1624 HydrophobicContact CB-CG2 3.66Å; Q1617-V1624 HydrophobicContact CB-CB 4.38Å; Q1617-V1624 HydrophobicContact CB-CG1 4.05Å; Q1617-V1624 HydrophobicContact CG-CB 4.47Å; Q1617-V1624 HydrophobicContact CG-CG1 4.21Å; N1620-V1624 PolarHBondContact O-N 3.19Å; N1620-V1624 VanDerWaalsContact O-N 3.11Å; V1624-S1626 VanDerWaalsContact C-N 3.3Å; V1624-S1626 PolarHBondContact O-N 3.25Å; V1624-M1627 PolarHBondContact O-N 2.85Å; V1624-L1628 HydrophobicContact CG1-CD1 3.92Å; V1624-L1628 HydrophobicContact CG1-CG 4.45Å; V1624-L1628 WeakPolarHBondContact O-CG 3.43Å; V1624-L1628 PolarHBondContact O-N 3.06Å; V1624-L1687 HydrophobicContact CG2-CD2 3.86Å |
| 1625 | N | 80.9 | Confident | 75.7 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 177.1 | -66.8 | -9.2 | 0 | 0 | 0 | 111.4 | Q1617 P1621 L1628 T1629 | Q1617-N1625 PolarHBondContact NE2-OD1 3.01Å; P1621-N1625 WeakPolarHBondContact O-CB 3.34Å; P1621-N1625 PolarHBondContact O-N 3.39Å; P1621-N1625 PolarHBondContact O-ND2 2.89Å; P1621-N1625 PolarHBondContact O-OD1 2.86Å; N1625-L1628 PolarHBondContact O-N 2.99Å; N1625-T1629 PolarHBondContact O-N 3.44Å; N1625-T1629 PolarHBondContact O-OG1 3.48Å |
| 1626 | S | 77.4 | Confident | 75.2 | Confident | 30 Ų | 30 | 60 Ų | 60 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.5 | -35.2 | 176.3 | -167.7 | 0 | 0 | 0 | 0 | 112.8 | I1424 H1622 V1623 V1624 T1629 | I1424-S1626 WeakPolarHBondContact CD1-OG 3.42Å; H1622-S1626 VanDerWaalsContact O-CB 3.29Å; H1622-S1626 WeakPolarHBondContact O-CB 3.49Å; H1622-S1626 PolarHBondContact O-N 3.15Å; V1623-S1626 PolarHBondContact O-N 3.46Å; V1624-S1626 VanDerWaalsContact C-N 3.3Å; V1624-S1626 PolarHBondContact O-N 3.25Å; S1626-T1629 WeakPolarHBondContact CA-OG1 3.47Å; S1626-T1629 PolarHBondContact O-OG1 3.15Å |
| 1627 | M | 76.8 | Confident | 75.1 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 170.6 | -74.3 | -164.7 | 164 | 0 | 0 | 112.4 | I1424 F1425 V1623 V1624 T1629 K1630 V1631 L1637 A1683 F1686 L1687 | I1424-M1627 HydrophobicContact CD1-CG 3.71Å; I1424-M1627 HydrophobicContact CG2-CE 3.9Å; F1425-M1627 HydrophobicContact CD1-CE 3.38Å; F1425-M1627 HydrophobicContact CE1-CE 3.38Å; F1425-M1627 HydrophobicContact CG-CE 4.46Å; F1425-M1627 HydrophobicContact CZ-CE 4.45Å; V1623-M1627 WeakPolarHBondContact O-CG 3.09Å; V1623-M1627 PolarHBondContact O-N 3.36Å; V1624-M1627 PolarHBondContact O-N 2.85Å; M1627-T1629 VanDerWaalsContact C-N 3.25Å; M1627-T1629 PolarHBondContact O-N 3.29Å; M1627-K1630 CarbonylContact O-C 3.6Å; M1627-K1630 WeakPolarHBondContact O-CA 3.47Å; M1627-K1630 PolarHBondContact O-N 3.48Å; M1627-V1631 PolarHBondContact O-N 3.28Å; M1627-V1631 VanDerWaalsContact O-N 3.13Å; M1627-L1637 HydrophobicContact CB-CD1 4.16Å; M1627-A1683 HydrophobicContact SD-CB 4.47Å; M1627-F1686 HydrophobicContact CE-CB 4.39Å; M1627-F1686 HydrophobicContact CE-CD1 3.3Å; M1627-F1686 HydrophobicContact CE-CE1 3.88Å; M1627-F1686 HydrophobicContact CE-CG 4.15Å; M1627-F1686 HydrophobicContact SD-CD1 4.45Å; M1627-L1687 HydrophobicContact SD-CD1 4.33Å; M1627-L1687 HydrophobicContact SD-CD2 3.69Å; M1627-L1687 HydrophobicContact SD-CG 3.88Å |
| 1628 | L | 76.2 | Confident | 75.2 | Confident | 54 Ų | 54 | 58.2 Ų | 58.2 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.8 | -30.9 | 176.1 | -75.7 | 166.6 | 0 | 0 | 0 | 112.7 | L1613 V1624 N1625 K1630 L1637 | L1613-L1628 HydrophobicContact CD1-CD1 4.08Å; L1613-L1628 HydrophobicContact CD1-CD2 3.93Å; L1613-L1628 HydrophobicContact CD1-CG 4.03Å; L1613-L1628 HydrophobicContact CD2-CD1 4.13Å; L1613-L1628 HydrophobicContact CD2-CD2 3.83Å; L1613-L1628 HydrophobicContact CD2-CG 4.47Å; L1613-L1628 HydrophobicContact CG-CD1 4.4Å; V1624-L1628 HydrophobicContact CG1-CD1 3.92Å; V1624-L1628 HydrophobicContact CG1-CG 4.45Å; V1624-L1628 WeakPolarHBondContact O-CG 3.43Å; V1624-L1628 PolarHBondContact O-N 3.06Å; N1625-L1628 PolarHBondContact O-N 2.99Å; L1628-K1630 PolarHBondContact O-N 3.18Å; L1628-L1637 HydrophobicContact CD2-CD1 3.94Å; L1628-L1637 HydrophobicContact CG-CD1 4.27Å |
| 1629 | T | 72 | Confident | 75.3 | Confident | 116 Ų | 116 | 52.1 Ų | 52.1 | 71% | 0.712 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.4 | 170.6 | 49 | 0 | 0 | 0 | 0 | 114.5 | N1625 S1626 M1627 | N1625-T1629 PolarHBondContact O-N 3.44Å; N1625-T1629 PolarHBondContact O-OG1 3.48Å; S1626-T1629 WeakPolarHBondContact CA-OG1 3.47Å; S1626-T1629 PolarHBondContact O-OG1 3.15Å; M1627-T1629 VanDerWaalsContact C-N 3.25Å; M1627-T1629 PolarHBondContact O-N 3.29Å |
| 1630 | K | 67.5 | Low | 75.2 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -2.4 | -175.2 | -71 | 175.6 | 178 | 168 | 0 | 114.4 | D1422 I1424 M1627 L1628 | D1422-K1630 PolarHBondContact O-NZ 3.3Å; D1422-K1630 IonicContact OD1-NZ 3.53Å; D1422-K1630 PolarHBondContact OD1-NZ 3.37Å; I1424-K1630 HydrophobicContact CD1-CD 4.16Å; M1627-K1630 CarbonylContact O-C 3.6Å; M1627-K1630 WeakPolarHBondContact O-CA 3.47Å; M1627-K1630 PolarHBondContact O-N 3.48Å; L1628-K1630 PolarHBondContact O-N 3.18Å |
| 1631 | V | 64.3 | Low | 75.1 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -123.3 | 133.7 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | M1627 S1633 L1637 Y1679 | M1627-V1631 PolarHBondContact O-N 3.28Å; M1627-V1631 VanDerWaalsContact O-N 3.13Å; V1631-S1633 PolarHBondContact O-N 2.65Å; V1631-S1633 VanDerWaalsContact O-N 3.13Å; V1631-L1637 HydrophobicContact CB-CD1 4.28Å; V1631-L1637 HydrophobicContact CB-CG 4.26Å; V1631-L1637 HydrophobicContact CG1-CG 4.28Å; V1631-L1637 HydrophobicContact CG2-CD1 4.25Å; V1631-L1637 HydrophobicContact CG2-CD2 4.03Å; V1631-L1637 HydrophobicContact CG2-CG 4.14Å; V1631-Y1679 HydrophobicContact CG2-CE1 4.17Å |
| 1632 | A | 56.1 | Low | 74.6 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -65.2 | -16.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116 | Y1664 | A1632-Y1664 HydrophobicContact CB-CD2 4.32Š|
| 1633 | S | 66 | Low | 74.1 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 29% | 0.287 | 25% | 0.246 | S | C | . | . | trans | -155.2 | 145.6 | 171.5 | 177.2 | 0 | 0 | 0 | 0 | 110 | V1631 E1635 Y1636 | V1631-S1633 PolarHBondContact O-N 2.65Å; V1631-S1633 VanDerWaalsContact O-N 3.13Å; S1633-E1635 PolarHBondContact O-N 2.96Å; S1633-E1635 PolarHBondContact OG-N 2.82Å; S1633-Y1636 PolarHBondContact O-N 3.27Å | ||
| 1634 | S | 72.2 | Confident | 73.7 | Confident | 60 Ų | 60 | 44.2 Ų | 44.2 | 42% | 0.42 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -61.5 | -28.5 | 172.7 | 45.3 | 0 | 0 | 0 | 0 | 112.8 | Y1636 L1637 E1638 | S1634-Y1636 PolarHBondContact O-N 3.02Å; S1634-Y1636 VanDerWaalsContact O-N 3.15Å; S1634-L1637 PolarHBondContact O-N 2.7Å; S1634-E1638 PolarHBondContact O-N 3.39Å |
| 1635 | E | 69.2 | Low | 73 | Confident | 108 Ų | 108 | 46.4 Ų | 46.4 | 51% | 0.505 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -60 | -24.3 | 177.9 | -67 | -163.1 | 153.8 | 0 | 0 | 113.3 | S1633 K1648 | S1633-E1635 PolarHBondContact O-N 2.96Å; S1633-E1635 PolarHBondContact OG-N 2.82Å; E1635-K1648 IonicContact OE1-NZ 3.07Å; E1635-K1648 PolarHBondContact OE1-NZ 2.91Å; E1635-K1648 IonicContact OE2-NZ 2.68Å; E1635-K1648 PolarHBondContact OE2-NZ 3.38Å |
| 1636 | Y | 72.3 | Confident | 72.4 | Confident | 86 Ų | 86 | 42.7 Ų | 42.7 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -86.5 | -14.8 | 178 | -60.3 | -61.2 | 0 | 0 | 0 | 113.9 | S1633 S1634 Y1676 Q1684 | S1633-Y1636 PolarHBondContact O-N 3.27Å; S1634-Y1636 PolarHBondContact O-N 3.02Å; S1634-Y1636 VanDerWaalsContact O-N 3.15Å; Y1636-Y1676 WeakPolarHBondContact CD2-OH 3.42Å; Y1636-Q1684 PolarHBondContact O-NE2 2.94Å |
| 1637 | L | 81.7 | Confident | 71.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -15.5 | 170.4 | -74.3 | 174.8 | 0 | 0 | 0 | 112.2 | L1613 M1627 L1628 V1631 S1634 A1683 L1687 | L1613-L1637 HydrophobicContact CD1-CB 4.27Å; L1613-L1637 HydrophobicContact CD1-CD1 4.11Å; M1627-L1637 HydrophobicContact CB-CD1 4.16Å; L1628-L1637 HydrophobicContact CD2-CD1 3.94Å; L1628-L1637 HydrophobicContact CG-CD1 4.27Å; V1631-L1637 HydrophobicContact CB-CD1 4.28Å; V1631-L1637 HydrophobicContact CB-CG 4.26Å; V1631-L1637 HydrophobicContact CG1-CG 4.28Å; V1631-L1637 HydrophobicContact CG2-CD1 4.25Å; V1631-L1637 HydrophobicContact CG2-CD2 4.03Å; V1631-L1637 HydrophobicContact CG2-CG 4.14Å; S1634-L1637 PolarHBondContact O-N 2.7Å; L1637-A1683 HydrophobicContact CD2-CB 3.85Å; L1637-L1687 HydrophobicContact CD2-CD1 4.35Å |
| 1638 | E | 84.7 | Confident | 71.2 | Confident | 46 Ų | 46 | 46.8 Ų | 46.8 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -75.3 | 125 | 164.8 | -69 | -59.9 | 150.6 | 0 | 0 | 110 | S1611 L1612 L1613 S1634 Q1684 | S1611-E1638 WeakPolarHBondContact CB-OE1 3.42Å; S1611-E1638 PolarHBondContact OG-OE1 3.17Å; L1612-E1638 PolarHBondContact N-OE1 2.84Å; L1612-E1638 PolarHBondContact N-OE2 3.3Å; L1613-E1638 WeakPolarHBondContact CB-OE1 3.47Å; L1613-E1638 PolarHBondContact N-OE1 2.94Å; S1634-E1638 PolarHBondContact O-N 3.39Å; E1638-Q1684 PolarHBondContact O-NE2 3.42Å |
| 1639 | P | 84.5 | Confident | 71 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -72 | 142.5 | 173.5 | 30.9 | -35.8 | 0 | 0 | 0 | 110.6 | W1570 L1612 I1641 Q1684 | W1570-P1639 HydrophobicContact CB-CG 3.91Å; W1570-P1639 HydrophobicContact CD2-CG 4.19Å; W1570-P1639 HydrophobicContact CG-CG 3.5Å; W1570-P1639 VanDerWaalsContact CG-CG 3.5Å; L1612-P1639 HydrophobicContact CB-CG 4.24Å; L1612-P1639 HydrophobicContact CD2-CG 3.98Å; P1639-I1641 PolarHBondContact O-N 3.39Å; P1639-Q1684 HydrophobicContact CB-CG 4.25Å |
| 1640 | P | 78.9 | Confident | 70.9 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 16% | 0.156 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 131 | 177.4 | 27.9 | -34.3 | 0 | 0 | 0 | 110.7 | W1646 I1649 | P1640-W1646 HydrophobicContact CB-CH2 3.98Å; P1640-W1646 HydrophobicContact CB-CZ2 4.33Å; P1640-W1646 HydrophobicContact CB-CZ3 4.15Å; P1640-W1646 HydrophobicContact CG-CH2 4.3Å; P1640-W1646 HydrophobicContact CG-CZ3 4.33Å; P1640-I1649 HydrophobicContact CB-CD1 3.81Å; P1640-I1649 HydrophobicContact CG-CD1 4.13Å |
| 1641 | I | 78.3 | Confident | 71 | Confident | 24 Ų | 24 | 43 Ų | 43 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | trans | -105 | 164.6 | 174 | 58 | 168.4 | 0 | 0 | 0 | 109.3 | D1571 P1639 S1643 S1644 W1646 | D1571-I1641 HydrophobicContact CB-CG2 4.29Å; D1571-I1641 WeakPolarHBondContact OD2-CA 3.47Å; P1639-I1641 PolarHBondContact O-N 3.39Å; I1641-S1643 VanDerWaalsContact CD1-OG 3.27Å; I1641-S1643 WeakPolarHBondContact CD1-OG 3.18Å; I1641-S1643 PolarHBondContact O-N 2.86Å; I1641-S1644 WeakPolarHBondContact CG1-OG 3.34Å; I1641-S1644 PolarHBondContact N-OG 3.12Å; I1641-S1644 VanDerWaalsContact O-CB 3.29Å; I1641-S1644 WeakPolarHBondContact O-CB 2.81Å; I1641-S1644 PolarHBondContact O-N 3.06Å; I1641-S1644 PolarHBondContact O-OG 3.46Å; I1641-W1646 WeakPolarHBondContact O-CZ2 3.44Å; I1641-W1646 PolarHBondContact O-NE1 3.31Å | ||
| 1642 | Q | 70 | Confident | 70.9 | Confident | 18 Ų | 18 | 43.3 Ų | 43.3 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.9 | -175.6 | -170.4 | 168 | -9.8 | 0 | 0 | 114.5 | D1571 W1574 W1646 E1722 T1867 | D1571-Q1642 PolarHBondContact OD2-N 3.4Å; W1574-Q1642 HydrophobicContact CD2-CB 4.46Å; W1574-Q1642 HydrophobicContact CE3-CB 4Å; W1574-Q1642 HydrophobicContact CE3-CG 3.68Å; W1574-Q1642 HydrophobicContact CZ3-CG 3.91Å; Q1642-W1646 PolarHBondContact O-NE1 3.49Å; Q1642-E1722 PolarHBondContact NE2-OE2 3.41Å; Q1642-E1722 PolarHBondContact OE1-OE2 2.88Å; Q1642-T1867 HydrophobicContact CG-CG2 4.15Å |
| 1643 | S | 66.7 | Low | 70.6 | Confident | 57 Ų | 57 | 45.3 Ų | 45.3 | 40% | 0.399 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 4.7 | 177.1 | 51.9 | 0 | 0 | 0 | 0 | 115.2 | I1641 | I1641-S1643 VanDerWaalsContact CD1-OG 3.27Å; I1641-S1643 WeakPolarHBondContact CD1-OG 3.18Å; I1641-S1643 PolarHBondContact O-N 2.86Å |
| 1644 | S | 70.9 | Confident | 69.5 | Low | 33 Ų | 33 | 45.6 Ų | 45.6 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -66.4 | 157.5 | 177.8 | -69.7 | 0 | 0 | 0 | 0 | 113.3 | I1641 W1646 | I1641-S1644 WeakPolarHBondContact CG1-OG 3.34Å; I1641-S1644 PolarHBondContact N-OG 3.12Å; I1641-S1644 VanDerWaalsContact O-CB 3.29Å; I1641-S1644 WeakPolarHBondContact O-CB 2.81Å; I1641-S1644 PolarHBondContact O-N 3.06Å; I1641-S1644 PolarHBondContact O-OG 3.46Å; S1644-W1646 VanDerWaalsContact C-N 3.28Å; S1644-W1646 PolarHBondContact O-N 3.28Å |
| 1645 | D | 66.2 | Low | 68.1 | Low | 46 Ų | 46 | 45.9 Ų | 45.9 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | trans | -72 | 85.1 | 161 | 179.7 | 7.4 | 0 | 0 | 0 | 109.6 | G1502 S1647 K1648 | G1502-D1645 VanDerWaalsContact O-CA 3.28Å; G1502-D1645 WeakPolarHBondContact O-CA 3.31Å; G1502-D1645 PolarHBondContact O-N 3.26Å; D1645-S1647 PolarHBondContact O-N 3.29Å; D1645-S1647 VanDerWaalsContact OD1-CB 3.23Å; D1645-S1647 WeakPolarHBondContact OD1-CB 3.08Å; D1645-S1647 PolarHBondContact OD1-N 3.05Å; D1645-S1647 VanDerWaalsContact OD1-N 3.13Å; D1645-S1647 PolarHBondContact OD1-OG 3.45Å; D1645-S1647 PolarHBondContact OD2-OG 3.32Å; D1645-K1648 HydrophobicContact CB-CG 4.46Å; D1645-K1648 PolarHBondContact O-N 3.1Å | ||
| 1646 | W | 69.5 | Low | 66.9 | Low | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -57.5 | -18.3 | 179.4 | -68.8 | 84.4 | 0 | 0 | 0 | 112.5 | W1468 L1470 P1499 L1513 W1574 P1640 I1641 Q1642 S1644 K1648 I1649 | W1468-W1646 HydrophobicContact CB-CZ3 4.29Å; W1468-W1646 AromaticContact CD1-CZ3 3.93Å; W1468-W1646 HydrophobicContact CD2-CH2 4.47Å; W1468-W1646 AromaticContact CD2-CZ3 3.93Å; W1468-W1646 HydrophobicContact CD2-CZ3 3.93Å; W1468-W1646 HydrophobicContact CG-CH2 4.49Å; W1468-W1646 AromaticContact CG-CZ3 3.79Å; W1468-W1646 HydrophobicContact CG-CZ3 3.79Å; L1470-W1646 WeakPolarHBondContact CD1-O 3.49Å; P1499-W1646 HydrophobicContact CB-CB 3.37Å; L1513-W1646 HydrophobicContact CD1-CE3 3.66Å; L1513-W1646 HydrophobicContact CD1-CZ3 3.9Å; L1513-W1646 HydrophobicContact CD2-CD2 4.3Å; L1513-W1646 HydrophobicContact CD2-CE3 3.61Å; L1513-W1646 HydrophobicContact CD2-CH2 4.38Å; L1513-W1646 HydrophobicContact CD2-CZ3 3.67Å; L1513-W1646 HydrophobicContact CG-CE3 4.31Å; L1513-W1646 HydrophobicContact CG-CZ3 4.43Å; W1574-W1646 AromaticContact CE2-CH2 3.83Å; W1574-W1646 AromaticContact CE2-CZ2 3.99Å; W1574-W1646 HydrophobicContact CZ2-CH2 4.12Å; W1574-W1646 HydrophobicContact CZ2-CZ2 4.21Å; W1574-W1646 AromaticContact NE1-CH2 3.4Å; W1574-W1646 AromaticContact NE1-CZ2 3.93Å; P1640-W1646 HydrophobicContact CB-CH2 3.98Å; P1640-W1646 HydrophobicContact CB-CZ2 4.33Å; P1640-W1646 HydrophobicContact CB-CZ3 4.15Å; P1640-W1646 HydrophobicContact CG-CH2 4.3Å; P1640-W1646 HydrophobicContact CG-CZ3 4.33Å; I1641-W1646 WeakPolarHBondContact O-CZ2 3.44Å; I1641-W1646 PolarHBondContact O-NE1 3.31Å; Q1642-W1646 PolarHBondContact O-NE1 3.49Å; S1644-W1646 VanDerWaalsContact C-N 3.28Å; S1644-W1646 PolarHBondContact O-N 3.28Å; W1646-K1648 PolarHBondContact O-N 3.5Å; W1646-K1648 VanDerWaalsContact O-N 3.17Å; W1646-I1649 HydrophobicContact CB-CD1 4.17Å; W1646-I1649 HydrophobicContact CD2-CD1 3.83Å; W1646-I1649 HydrophobicContact CE3-CD1 3.16Å; W1646-I1649 HydrophobicContact CG-CD1 4.3Å; W1646-I1649 HydrophobicContact CZ3-CD1 3.66Å; W1646-I1649 WeakPolarHBondContact O-CB 3.39Å; W1646-I1649 PolarHBondContact O-N 3.13Å; W1646-I1649 VanDerWaalsContact O-N 3.12Å |
| 1647 | S | 62 | Low | 65.4 | Low | 27 Ų | 27 | 45 Ų | 45 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -66.2 | -15.9 | 179 | 82.1 | 0 | 0 | 0 | 0 | 114.2 | D1645 | D1645-S1647 PolarHBondContact O-N 3.29Å; D1645-S1647 VanDerWaalsContact OD1-CB 3.23Å; D1645-S1647 WeakPolarHBondContact OD1-CB 3.08Å; D1645-S1647 PolarHBondContact OD1-N 3.05Å; D1645-S1647 VanDerWaalsContact OD1-N 3.13Å; D1645-S1647 PolarHBondContact OD1-OG 3.45Å; D1645-S1647 PolarHBondContact OD2-OG 3.32Å |
| 1648 | K | 66.1 | Low | 63.3 | Low | 90 Ų | 90 | 46.2 Ų | 46.2 | 39% | 0.391 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -77.8 | -12.2 | 173.7 | -64.6 | -174.4 | 173.8 | -169 | 0 | 114.8 | E1635 D1645 W1646 | E1635-K1648 IonicContact OE1-NZ 3.07Å; E1635-K1648 PolarHBondContact OE1-NZ 2.91Å; E1635-K1648 IonicContact OE2-NZ 2.68Å; E1635-K1648 PolarHBondContact OE2-NZ 3.38Å; D1645-K1648 HydrophobicContact CB-CG 4.46Å; D1645-K1648 PolarHBondContact O-N 3.1Å; W1646-K1648 PolarHBondContact O-N 3.5Å; W1646-K1648 VanDerWaalsContact O-N 3.17Å |
| 1649 | I | 72.6 | Confident | 61.1 | Low | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.118 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -75.9 | 147.6 | -175.6 | -68.1 | 167.4 | 0 | 0 | 0 | 110.6 | W1468 P1640 W1646 | W1468-I1649 HydrophobicContact CB-CG2 4.05Å; W1468-I1649 WeakPolarHBondContact O-CG2 3.31Å; P1640-I1649 HydrophobicContact CB-CD1 3.81Å; P1640-I1649 HydrophobicContact CG-CD1 4.13Å; W1646-I1649 HydrophobicContact CB-CD1 4.17Å; W1646-I1649 HydrophobicContact CD2-CD1 3.83Å; W1646-I1649 HydrophobicContact CE3-CD1 3.16Å; W1646-I1649 HydrophobicContact CG-CD1 4.3Å; W1646-I1649 HydrophobicContact CZ3-CD1 3.66Å; W1646-I1649 WeakPolarHBondContact O-CB 3.39Å; W1646-I1649 PolarHBondContact O-N 3.13Å; W1646-I1649 VanDerWaalsContact O-N 3.12Å |
| 1650 | P | 69.6 | Low | 58.9 | Low | 36 Ų | 36 | 51.4 Ų | 51.4 | 23% | 0.234 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 143.3 | -179.4 | -26.4 | 35.9 | 0 | 0 | 0 | 113.2 | L1469 L1470 Y1676 H1677 | L1469-P1650 WeakPolarHBondContact CA-O 3.34Å; L1469-P1650 HydrophobicContact CD2-CB 3.9Å; L1469-P1650 WeakPolarHBondContact CD2-O 3.4Å; L1470-P1650 PolarHBondContact N-O 3.4Å; P1650-Y1676 HydrophobicContact CG-CD1 4.21Å; P1650-H1677 HydrophobicContact CB-CB 4.39Å; P1650-H1677 HydrophobicContact CG-CB 4.23Å |
| 1651 | R | 69.1 | Low | 56.9 | Low | 115 Ų | 115 | 52.6 Ų | 52.6 | 43% | 0.434 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -94.7 | 139.6 | -179.5 | -63.2 | 174.9 | -172.9 | 177.1 | 2.2 | 109.9 | L1470 Y1511 | L1470-R1651 HydrophobicContact CB-CG 4.19Å; L1470-R1651 CarbonylContact O-C 3.54Å; L1470-R1651 VanDerWaalsContact O-CA 3.26Å; L1470-R1651 WeakPolarHBondContact O-CA 3.29Å; Y1511-R1651 PolarHBondContact OH-NH1 3.39Å; Y1511-R1651 VanDerWaalsContact OH-NH1 3.13Å; Y1511-R1651 PolarHBondContact OH-NH2 3.3Å |
| 1652 | L | 62.4 | Low | 54.9 | Low | 22 Ų | 22 | 58.1 Ų | 58.1 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 122.8 | 165.6 | -175.8 | 66.7 | 0 | 0 | 0 | 106.9 | L1469 L1470 N1471 L1536 | L1469-L1652 HydrophobicContact CB-CB 4.41Å; L1469-L1652 HydrophobicContact CD1-CB 4.29Å; L1469-L1652 HydrophobicContact CD1-CD1 4.07Å; L1470-L1652 PolarHBondContact O-N 2.8Å; N1471-L1652 HydrophobicContact CB-CB 4.36Å; N1471-L1652 HydrophobicContact CB-CD2 4.26Å; L1536-L1652 HydrophobicContact CD1-CD1 4.22Å |
| 1653 | E | 50.8 | Low | 53.1 | Low | 90 Ų | 90 | 59.5 Ų | 59.5 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 155.5 | 172.4 | -73.9 | -177.8 | -176.2 | 0 | 0 | 110.8 | S1655 G1656 K1657 P1659 | E1653-S1655 PolarHBondContact O-N 3.44Å; E1653-G1656 PolarHBondContact O-N 3.14Å; E1653-K1657 WeakPolarHBondContact CB-O 3.26Å; E1653-K1657 PolarHBondContact N-O 3.28Å; E1653-P1659 HydrophobicContact CG-CG 4.31Å; E1653-P1659 WeakPolarHBondContact OE1-CG 3.48Å |
| 1654 | S | 41.9 | Very low | 51.4 | Low | 47 Ų | 47 | 65 Ų | 65 | 33% | 0.329 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -3.7 | 178.8 | 53.4 | 0 | 0 | 0 | 0 | 116.7 | S1273 I1274 | S1273-S1654 WeakPolarHBondContact OG-CB 3.37Å; I1274-S1654 WeakPolarHBondContact CG1-O 3.35Å |
| 1655 | S | 42.7 | Very low | 49.6 | Very low | 66 Ų | 66 | 70.1 Ų | 70.1 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 4.6 | 174.6 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | E1653 K1657 | E1653-S1655 PolarHBondContact O-N 3.44Å; S1655-K1657 PolarHBondContact O-N 2.89Å |
| 1656 | G | 43.7 | Very low | 47.8 | Very low | 42 Ų | 42 | 69.9 Ų | 69.9 | 43% | 0.433 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 77.4 | -6.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1653 | E1653-G1656 PolarHBondContact O-N 3.14Š|
| 1657 | K | 41.5 | Very low | 45.7 | Very low | 133 Ų | 133 | 73.6 Ų | 73.6 | 58% | 0.578 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 145.6 | -177 | -63.5 | 177.7 | -178.2 | 177.8 | 0 | 110.8 | E1653 S1655 | E1653-K1657 WeakPolarHBondContact CB-O 3.26Å; E1653-K1657 PolarHBondContact N-O 3.28Å; S1655-K1657 PolarHBondContact O-N 2.89Å |
| 1658 | C | 38.2 | Very low | 44 | Very low | 26 Ų | 26 | 79.6 Ų | 79.6 | 18% | 0.176 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 128.8 | 168.7 | -67.2 | 0 | 0 | 0 | 0 | 109.2 | L1469 P1675 H1677 | L1469-C1658 WeakPolarHBondContact CD1-SG 3.36Å; C1658-P1675 HydrophobicContact CB-CB 4.21Å; C1658-H1677 VanDerWaalsContact SG-CE1 3.53Å; C1658-H1677 PolarHBondContact SG-ND1 3.41Å |
| 1659 | P | 37.8 | Very low | 42 | Very low | 54 Ų | 54 | 82.1 Ų | 82.1 | 35% | 0.351 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 149.3 | 174 | 28.2 | -35 | 0 | 0 | 0 | 111.3 | E1653 | E1653-P1659 HydrophobicContact CG-CG 4.31Å; E1653-P1659 WeakPolarHBondContact OE1-CG 3.48Å |
| 1660 | P | 37.8 | Very low | 39.7 | Very low | 105 Ų | 105 | 85 Ų | 85 | 68% | 0.682 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 160.3 | 165.2 | 30 | -34.6 | 0 | 0 | 0 | 110.6 | ||
| 1661 | P | 37.9 | Very low | 37.9 | Very low | 49 Ų | 49 | 89.4 Ų | 89.4 | 32% | 0.318 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 137.3 | -175.4 | 31.4 | -35.6 | 0 | 0 | 0 | 110.7 | S1663 Y1676 | P1661-S1663 PolarHBondContact O-N 3.05Å; P1661-Y1676 HydrophobicContact CB-CD1 4.12Å; P1661-Y1676 HydrophobicContact CB-CD2 4.02Å; P1661-Y1676 HydrophobicContact CB-CE1 4.08Å; P1661-Y1676 HydrophobicContact CB-CE2 3.98Å; P1661-Y1676 HydrophobicContact CB-CG 4.09Å; P1661-Y1676 HydrophobicContact CG-CD2 3.6Å; P1661-Y1676 HydrophobicContact CG-CE2 3.75Å; P1661-Y1676 HydrophobicContact CG-CG 4.03Å |
| 1662 | R | 35.4 | Very low | 36.4 | Very low | 141 Ų | 141 | 88.5 Ų | 88.5 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -75.6 | 49.8 | 174.1 | -75.2 | -174.2 | 174.1 | 146.6 | 0.8 | 112.8 | D1283 N1286 | D1283-R1662 IonicContact OD1-CZ 2.87Å; D1283-R1662 IonicContact OD1-NE 2.73Å; D1283-R1662 IonicContact OD1-NH2 2.71Å; D1283-R1662 PolarHBondContact OD1-NH2 2.71Å; D1283-R1662 IonicContact OD2-CZ 3.91Å; D1283-R1662 IonicContact OD2-NE 2.7Å; D1283-R1662 PolarHBondContact OD2-NE 2.99Å; D1283-R1662 IonicContact OD2-NH2 3.23Å; D1283-R1662 PolarHBondContact OD2-NH2 3.31Å; N1286-R1662 PolarHBondContact ND2-O 2.82Å |
| 1663 | S | 32.2 | Very low | 35.9 | Very low | 46 Ų | 46 | 96.1 Ų | 96.1 | 32% | 0.322 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -174.2 | 130.2 | 168.4 | 54.5 | 0 | 0 | 0 | 0 | 109.7 | P1661 | P1661-S1663 PolarHBondContact O-N 3.05Š|
| 1664 | Y | 30.6 | Very low | 36.4 | Very low | 172 Ų | 172 | 94.7 Ų | 94.7 | 68% | 0.675 | 53% | 0.529 | S | S | * | . | trans | 61.8 | 98.5 | 177.5 | -70 | -84.7 | 0 | 0 | 0 | 117.5 | A1632 | A1632-Y1664 HydrophobicContact CB-CD2 4.32Š| ||
| 1665 | L | 32.8 | Very low | 37.7 | Very low | 142 Ų | 142 | 94.7 Ų | 94.7 | 74% | 0.743 | 53% | 0.528 | S | S | * | . | -157.1 | 170.3 | 118.2 | -108.8 | 167.1 | 0 | 0 | 0 | 109.8 | N685 N688 | N685-L1665 PolarHBondContact OD1-O 3.11Å; N688-L1665 PolarHBondContact ND2-O 3.23Å | |||
| 1666 | N | 29.2 | Very low | 39.2 | Very low | 40 Ų | 40 | 93.2 Ų | 93.2 | 21% | 0.214 | 51% | 0.512 | C | S | . | . | trans | -115.6 | 141 | 165.8 | -66.1 | -85.9 | 0 | 0 | 0 | 107.9 | N685 N688 M689 Q1668 | N685-N1666 PolarHBondContact O-OD1 2.85Å; N685-N1666 VanDerWaalsContact O-OD1 3.13Å; N685-N1666 VanDerWaalsContact OD1-CA 3.26Å; N685-N1666 WeakPolarHBondContact OD1-CA 3.46Å; N688-N1666 VanDerWaalsContact C-ND2 3.32Å; N688-N1666 WeakPolarHBondContact CA-OD1 3.28Å; N688-N1666 WeakPolarHBondContact CB-OD1 3.42Å; N688-N1666 PolarHBondContact N-OD1 2.91Å; N688-N1666 PolarHBondContact O-ND2 3.46Å; M689-N1666 PolarHBondContact N-OD1 2.86Å; N1666-Q1668 PolarHBondContact O-N 3.28Å | ||
| 1667 | E | 25.7 | Very low | 40.8 | Very low | 80 Ų | 80 | 91.3 Ų | 91.3 | 37% | 0.374 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -58.9 | 122.8 | 134.5 | -54.4 | 149.6 | -144.2 | 0 | 0 | 105.1 | S683 K684 N685 | S683-E1667 WeakPolarHBondContact CB-OE2 3.38Å; S683-E1667 PolarHBondContact OG-OE2 3.4Å; K684-E1667 PolarHBondContact N-OE1 3.22Å; N685-E1667 HydrophobicContact CB-CB 3.49Å; N685-E1667 VanDerWaalsContact CB-CB 3.49Å; N685-E1667 HydrophobicContact CB-CG 3.72Å; N685-E1667 VanDerWaalsContact ND2-CG 3.33Å; N685-E1667 WeakPolarHBondContact ND2-CG 3.24Å; N685-E1667 PolarHBondContact ND2-OE1 3.01Å; N685-E1667 PolarHBondContact OD1-N 3.5Å; N685-E1667 VanDerWaalsContact OD1-N 3.12Å |
| 1668 | Q | 25.6 | Very low | 42.8 | Very low | 153 Ų | 153 | 85.1 Ų | 85.1 | 72% | 0.715 | 47% | 0.465 | S | S | * | . | S | Bend | cis | -134.9 | 125 | 35.9 | -64.7 | 136.2 | 4.6 | 0 | 0 | 110.3 | N1666 | N1666-Q1668 PolarHBondContact O-N 3.28Š|
| 1669 | N | 24.6 | Very low | 45 | Very low | 143 Ų | 143 | 87.3 Ų | 87.3 | 77% | 0.765 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 176.6 | 155.7 | 133.7 | -90.1 | -9.5 | 0 | 0 | 0 | 112.1 | ||
| 1670 | S | 25 | Very low | 47.2 | Very low | 84 Ų | 84 | 85.3 Ų | 85.3 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | trans | 49.7 | 85.3 | 166.1 | 61.7 | 0 | 0 | 0 | 0 | 119.4 | S1672 | S1670-S1672 PolarHBondContact O-N 3.18Š| ||
| 1671 | S | 30.1 | Very low | 49.7 | Very low | 128 Ų | 128 | 80.7 Ų | 80.7 | 90% | 0.895 | 43% | 0.427 | S | S | * | . | 14.8 | 76.4 | 123.9 | 59.9 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1672 | S | 39.4 | Very low | 52.1 | Low | 96 Ų | 96 | 78.3 Ų | 78.3 | 67% | 0.671 | 41% | 0.412 | S | S | * | . | trans | -161.9 | 121.7 | 150.7 | 54.1 | 0 | 0 | 0 | 0 | 113 | S1670 L1674 | S1670-S1672 PolarHBondContact O-N 3.18Å; S1672-L1674 VanDerWaalsContact C-N 3.26Å; S1672-L1674 PolarHBondContact O-N 3.13Å; S1672-L1674 VanDerWaalsContact O-N 3.07Å | ||
| 1673 | N | 50.1 | Low | 54.6 | Low | 181 Ų | 181 | 71.7 Ų | 71.7 | 97% | 0.968 | 39% | 0.387 | S | S | * | . | trans | -84.3 | 60 | 175.8 | -79.6 | -26.1 | 0 | 0 | 0 | 111.4 | ||||
| 1674 | L | 61.9 | Low | 57.4 | Low | 60 Ų | 60 | 70 Ų | 70 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | trans | -100 | 127 | -175.5 | -158.6 | 74.3 | 0 | 0 | 0 | 112.2 | I1427 S1672 V1678 | I1427-L1674 HydrophobicContact CB-CD2 4.02Å; I1427-L1674 HydrophobicContact CD1-CD2 3.47Å; I1427-L1674 VanDerWaalsContact CD1-CD2 3.47Å; I1427-L1674 HydrophobicContact CG1-CD2 4.34Å; I1427-L1674 HydrophobicContact CG2-CD2 3.95Å; S1672-L1674 VanDerWaalsContact C-N 3.26Å; S1672-L1674 PolarHBondContact O-N 3.13Å; S1672-L1674 VanDerWaalsContact O-N 3.07Å; L1674-V1678 HydrophobicContact CD1-CB 4.49Å; L1674-V1678 HydrophobicContact CD1-CG1 4.02Å; L1674-V1678 HydrophobicContact CD2-CB 4.37Å; L1674-V1678 HydrophobicContact CD2-CG1 3.96Å; L1674-V1678 HydrophobicContact CG-CB 4.12Å; L1674-V1678 HydrophobicContact CG-CG1 3.99Å | ||
| 1675 | P | 69.3 | Low | 60.3 | Low | 47 Ų | 47 | 61.8 Ų | 61.8 | 31% | 0.305 | 34% | 0.342 | S | S | . | . | trans | -64.6 | 145.6 | -179.6 | -21.9 | 32.6 | 0 | 0 | 0 | 113.7 | C1658 H1677 V1678 Y1679 | C1658-P1675 HydrophobicContact CB-CB 4.21Å; P1675-H1677 VanDerWaalsContact C-N 3.33Å; P1675-H1677 PolarHBondContact O-N 3.45Å; P1675-V1678 HydrophobicContact CB-CG2 4.11Å; P1675-V1678 HydrophobicContact CG-CG2 4.24Å; P1675-V1678 VanDerWaalsContact O-CB 3.31Å; P1675-V1678 WeakPolarHBondContact O-CB 3.35Å; P1675-V1678 PolarHBondContact O-N 2.91Å; P1675-Y1679 PolarHBondContact O-N 3.2Å | ||
| 1676 | Y | 73.2 | Confident | 63.1 | Low | 35 Ų | 35 | 55.4 Ų | 55.4 | 14% | 0.137 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55 | -43.5 | -173.8 | -175.4 | -120.8 | 0 | 0 | 0 | 114.2 | Y1636 P1650 P1661 V1678 Y1679 T1680 | Y1636-Y1676 WeakPolarHBondContact CD2-OH 3.42Å; P1650-Y1676 HydrophobicContact CG-CD1 4.21Å; P1661-Y1676 HydrophobicContact CB-CD1 4.12Å; P1661-Y1676 HydrophobicContact CB-CD2 4.02Å; P1661-Y1676 HydrophobicContact CB-CE1 4.08Å; P1661-Y1676 HydrophobicContact CB-CE2 3.98Å; P1661-Y1676 HydrophobicContact CB-CG 4.09Å; P1661-Y1676 HydrophobicContact CG-CD2 3.6Å; P1661-Y1676 HydrophobicContact CG-CE2 3.75Å; P1661-Y1676 HydrophobicContact CG-CG 4.03Å; Y1676-V1678 PolarHBondContact O-N 3.03Å; Y1676-Y1679 PolarHBondContact O-N 3.06Å; Y1676-Y1679 VanDerWaalsContact O-N 3.12Å; Y1676-T1680 HydrophobicContact CD1-CG2 4.38Å; Y1676-T1680 HydrophobicContact CD2-CG2 4.28Å; Y1676-T1680 HydrophobicContact CE1-CG2 3.87Å; Y1676-T1680 HydrophobicContact CE2-CG2 3.76Å; Y1676-T1680 PolarHBondContact O-N 3.48Å; Y1676-T1680 PolarHBondContact O-OG1 3.05Å |
| 1677 | H | 77.9 | Confident | 65.9 | Low | 3 Ų | 3 | 53.5 Ų | 53.5 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -29.2 | 179 | 76.4 | -100.3 | 0 | 0 | 0 | 112.6 | L1469 S1516 W1532 P1650 C1658 P1675 T1680 T1681 | L1469-H1677 HydrophobicContact CD2-CB 3.95Å; S1516-H1677 PolarHBondContact OG-CD2 3.25Å; S1516-H1677 PolarHBondContact OG-NE2 3.48Å; W1532-H1677 AromaticContact CZ2-NE2 3.85Å; P1650-H1677 HydrophobicContact CB-CB 4.39Å; P1650-H1677 HydrophobicContact CG-CB 4.23Å; C1658-H1677 VanDerWaalsContact SG-CE1 3.53Å; C1658-H1677 PolarHBondContact SG-ND1 3.41Å; P1675-H1677 VanDerWaalsContact C-N 3.33Å; P1675-H1677 PolarHBondContact O-N 3.45Å; H1677-T1680 PolarHBondContact O-OG1 2.7Å; H1677-T1681 VanDerWaalsContact O-CB 3.26Å; H1677-T1681 WeakPolarHBondContact O-CB 3.49Å; H1677-T1681 PolarHBondContact O-N 2.67Å; H1677-T1681 VanDerWaalsContact O-N 3.1Å; H1677-T1681 PolarHBondContact O-OG1 2.73Å |
| 1678 | V | 83.8 | Confident | 68.9 | Low | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.1 | -43 | 176 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | I1427 W1532 L1674 P1675 Y1676 S1682 | I1427-V1678 HydrophobicContact CG2-CG1 4.33Å; W1532-V1678 HydrophobicContact CB-CG1 4.06Å; W1532-V1678 HydrophobicContact CD2-CB 4.39Å; W1532-V1678 HydrophobicContact CD2-CG1 3.56Å; W1532-V1678 HydrophobicContact CD2-CG2 4.25Å; W1532-V1678 HydrophobicContact CE3-CG1 4.06Å; W1532-V1678 HydrophobicContact CG-CG1 3.53Å; W1532-V1678 HydrophobicContact CH2-CG2 4.47Å; W1532-V1678 HydrophobicContact CZ2-CG2 3.76Å; L1674-V1678 HydrophobicContact CD1-CB 4.49Å; L1674-V1678 HydrophobicContact CD1-CG1 4.02Å; L1674-V1678 HydrophobicContact CD2-CB 4.37Å; L1674-V1678 HydrophobicContact CD2-CG1 3.96Å; L1674-V1678 HydrophobicContact CG-CB 4.12Å; L1674-V1678 HydrophobicContact CG-CG1 3.99Å; P1675-V1678 HydrophobicContact CB-CG2 4.11Å; P1675-V1678 HydrophobicContact CG-CG2 4.24Å; P1675-V1678 VanDerWaalsContact O-CB 3.31Å; P1675-V1678 WeakPolarHBondContact O-CB 3.35Å; P1675-V1678 PolarHBondContact O-N 2.91Å; Y1676-V1678 PolarHBondContact O-N 3.03Å; V1678-S1682 WeakPolarHBondContact O-CB 3.47Å; V1678-S1682 PolarHBondContact O-N 2.61Å; V1678-S1682 PolarHBondContact O-OG 3.43Å |
| 1679 | Y | 84.4 | Confident | 71.8 | Confident | 73 Ų | 73 | 42.5 Ų | 42.5 | 29% | 0.286 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.4 | -49.3 | 177.3 | -175.9 | -90.7 | 0 | 0 | 0 | 112 | F1425 I1427 V1631 P1675 Y1676 S1682 A1683 | F1425-Y1679 HydrophobicContact CE1-CE2 4.42Å; F1425-Y1679 HydrophobicContact CZ-CE2 4.07Å; I1427-Y1679 HydrophobicContact CD1-CD2 3.82Å; V1631-Y1679 HydrophobicContact CG2-CE1 4.17Å; P1675-Y1679 PolarHBondContact O-N 3.2Å; Y1676-Y1679 PolarHBondContact O-N 3.06Å; Y1676-Y1679 VanDerWaalsContact O-N 3.12Å; Y1679-S1682 PolarHBondContact O-N 2.95Å; Y1679-A1683 WeakPolarHBondContact O-CB 3.44Å; Y1679-A1683 PolarHBondContact O-N 2.88Å |
| 1680 | T | 84.5 | Confident | 74.6 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | -179.7 | 54.1 | 0 | 0 | 0 | 0 | 112 | Y1676 H1677 S1682 A1683 Q1684 | Y1676-T1680 HydrophobicContact CD1-CG2 4.38Å; Y1676-T1680 HydrophobicContact CD2-CG2 4.28Å; Y1676-T1680 HydrophobicContact CE1-CG2 3.87Å; Y1676-T1680 HydrophobicContact CE2-CG2 3.76Å; Y1676-T1680 PolarHBondContact O-N 3.48Å; Y1676-T1680 PolarHBondContact O-OG1 3.05Å; H1677-T1680 PolarHBondContact O-OG1 2.7Å; T1680-S1682 VanDerWaalsContact C-N 3.28Å; T1680-S1682 PolarHBondContact O-N 3.26Å; T1680-A1683 PolarHBondContact O-N 3.46Å; T1680-Q1684 VanDerWaalsContact O-CG 3.29Å; T1680-Q1684 WeakPolarHBondContact O-CG 3.15Å; T1680-Q1684 PolarHBondContact O-N 2.71Å |
| 1681 | T | 88.9 | Confident | 77.3 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | 176 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | Q1465 P1466 G1467 A1519 W1532 H1677 C1685 | Q1465-T1681 HydrophobicContact CB-CG2 4.18Å; Q1465-T1681 HydrophobicContact CG-CG2 3.69Å; P1466-T1681 WeakPolarHBondContact O-CG2 3.45Å; G1467-T1681 WeakPolarHBondContact CA-OG1 3.43Å; A1519-T1681 HydrophobicContact CB-CG2 4.03Å; W1532-T1681 HydrophobicContact CZ3-CG2 3.96Å; H1677-T1681 VanDerWaalsContact O-CB 3.26Å; H1677-T1681 WeakPolarHBondContact O-CB 3.49Å; H1677-T1681 PolarHBondContact O-N 2.67Å; H1677-T1681 VanDerWaalsContact O-N 3.1Å; H1677-T1681 PolarHBondContact O-OG1 2.73Å; T1681-C1685 WeakPolarHBondContact O-CB 3.45Å; T1681-C1685 PolarHBondContact O-N 3.09Å |
| 1682 | S | 89.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.7 | -37.7 | 176.9 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | V1678 Y1679 T1680 C1685 F1686 | V1678-S1682 WeakPolarHBondContact O-CB 3.47Å; V1678-S1682 PolarHBondContact O-N 2.61Å; V1678-S1682 PolarHBondContact O-OG 3.43Å; Y1679-S1682 PolarHBondContact O-N 2.95Å; T1680-S1682 VanDerWaalsContact C-N 3.28Å; T1680-S1682 PolarHBondContact O-N 3.26Å; S1682-C1685 PolarHBondContact O-N 2.82Å; S1682-F1686 WeakPolarHBondContact O-CB 3.25Å; S1682-F1686 PolarHBondContact O-N 3.13Å |
| 1683 | A | 88.2 | Confident | 80.5 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1425 M1627 L1637 Y1679 T1680 C1685 F1686 L1687 | F1425-A1683 HydrophobicContact CE1-CB 4.24Å; F1425-A1683 HydrophobicContact CZ-CB 3.91Å; M1627-A1683 HydrophobicContact SD-CB 4.47Å; L1637-A1683 HydrophobicContact CD2-CB 3.85Å; Y1679-A1683 WeakPolarHBondContact O-CB 3.44Å; Y1679-A1683 PolarHBondContact O-N 2.88Å; T1680-A1683 PolarHBondContact O-N 3.46Å; A1683-C1685 PolarHBondContact O-N 2.79Å; A1683-F1686 PolarHBondContact O-N 3.46Å; A1683-L1687 WeakPolarHBondContact O-CG 3.4Å; A1683-L1687 PolarHBondContact O-N 3.25Å |
| 1684 | Q | 91.3 | Very high | 80.8 | Confident | 10 Ų | 10 | 21.3 Ų | 21.3 | 5% | 0.047 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58 | -46.6 | 172.3 | -69.5 | 164.2 | 11.8 | 0 | 0 | 111.4 | Q1465 L1612 Y1636 E1638 P1639 T1680 F1686 L1687 L1688 | Q1465-Q1684 HydrophobicContact CG-CB 3.94Å; L1612-Q1684 HydrophobicContact CD2-CB 4.48Å; Y1636-Q1684 PolarHBondContact O-NE2 2.94Å; E1638-Q1684 PolarHBondContact O-NE2 3.42Å; P1639-Q1684 HydrophobicContact CB-CG 4.25Å; T1680-Q1684 VanDerWaalsContact O-CG 3.29Å; T1680-Q1684 WeakPolarHBondContact O-CG 3.15Å; T1680-Q1684 PolarHBondContact O-N 2.71Å; Q1684-F1686 PolarHBondContact O-N 2.68Å; Q1684-L1687 PolarHBondContact O-N 2.72Å; Q1684-L1688 WeakPolarHBondContact O-CG 3.31Å; Q1684-L1688 PolarHBondContact O-N 3.4Å |
| 1685 | C | 92.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 175.3 | -168.4 | 0 | 0 | 0 | 0 | 112.7 | A1463 Q1465 A1519 V1530 T1681 S1682 A1683 L1688 S1689 | A1463-C1685 PolarHBondContact O-SG 2.9Å; Q1465-C1685 HydrophobicContact CB-CB 3.83Å; A1519-C1685 VanDerWaalsContact C-SG 3.59Å; A1519-C1685 HydrophobicContact CB-CB 3.65Å; A1519-C1685 PolarHBondContact O-SG 2.72Å; V1530-C1685 HydrophobicContact CG1-CB 4.15Å; T1681-C1685 WeakPolarHBondContact O-CB 3.45Å; T1681-C1685 PolarHBondContact O-N 3.09Å; S1682-C1685 PolarHBondContact O-N 2.82Å; A1683-C1685 PolarHBondContact O-N 2.79Å; C1685-L1688 PolarHBondContact O-N 2.94Å; C1685-S1689 PolarHBondContact O-N 3.25Å |
| 1686 | F | 90 | Very high | 79 | Confident | 9 Ų | 9 | 21.4 Ų | 21.4 | 4% | 0.039 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.5 | -41.6 | 176 | -177 | -99.3 | 0 | 0 | 0 | 112.4 | I1424 F1425 V1530 V1623 M1627 S1682 A1683 Q1684 L1688 S1689 L1690 | I1424-F1686 HydrophobicContact CG2-CE1 3.89Å; I1424-F1686 HydrophobicContact CG2-CZ 4.39Å; F1425-F1686 HydrophobicContact CB-CD1 4.44Å; F1425-F1686 HydrophobicContact CB-CD2 3.69Å; F1425-F1686 HydrophobicContact CB-CE2 3.83Å; F1425-F1686 HydrophobicContact CB-CG 4Å; F1425-F1686 HydrophobicContact CB-CZ 4.21Å; F1425-F1686 HydrophobicContact CD1-CD1 4.36Å; F1425-F1686 HydrophobicContact CD1-CG 4.32Å; F1425-F1686 HydrophobicContact CD2-CB 4.38Å; F1425-F1686 HydrophobicContact CG-CB 4.3Å; F1425-F1686 HydrophobicContact CG-CD1 4.49Å; F1425-F1686 HydrophobicContact CG-CD2 4.2Å; F1425-F1686 HydrophobicContact CG-CG 4.06Å; V1530-F1686 HydrophobicContact CG2-CB 3.87Å; V1530-F1686 HydrophobicContact CG2-CD2 4.31Å; V1623-F1686 HydrophobicContact CG1-CD1 4.47Å; V1623-F1686 HydrophobicContact CG1-CE1 3.82Å; M1627-F1686 HydrophobicContact CE-CB 4.39Å; M1627-F1686 HydrophobicContact CE-CD1 3.3Å; M1627-F1686 HydrophobicContact CE-CE1 3.88Å; M1627-F1686 HydrophobicContact CE-CG 4.15Å; M1627-F1686 HydrophobicContact SD-CD1 4.45Å; S1682-F1686 WeakPolarHBondContact O-CB 3.25Å; S1682-F1686 PolarHBondContact O-N 3.13Å; A1683-F1686 PolarHBondContact O-N 3.46Å; Q1684-F1686 PolarHBondContact O-N 2.68Å; F1686-L1688 VanDerWaalsContact C-N 3.35Å; F1686-L1688 PolarHBondContact O-N 3.4Å; F1686-S1689 WeakPolarHBondContact O-CB 3.5Å; F1686-S1689 PolarHBondContact O-N 3.41Å; F1686-S1689 VanDerWaalsContact O-N 3.08Å; F1686-S1689 PolarHBondContact O-OG 3.06Å; F1686-L1690 HydrophobicContact CE1-CD2 4.44Å; F1686-L1690 PolarHBondContact O-N 2.94Å |
| 1687 | L | 88.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 173.7 | -70.4 | 178.4 | 0 | 0 | 0 | 111.4 | L1612 A1616 V1623 V1624 M1627 L1637 A1683 Q1684 S1689 L1690 W1691 | L1612-L1687 HydrophobicContact CD2-CB 4.08Å; L1612-L1687 HydrophobicContact CD2-CD1 4.36Å; L1612-L1687 HydrophobicContact CG-CB 4.38Å; A1616-L1687 HydrophobicContact CB-CB 4.46Å; A1616-L1687 HydrophobicContact CB-CD2 4.19Å; V1623-L1687 HydrophobicContact CG1-CD2 4.36Å; V1624-L1687 HydrophobicContact CG2-CD2 3.86Å; M1627-L1687 HydrophobicContact SD-CD1 4.33Å; M1627-L1687 HydrophobicContact SD-CD2 3.69Å; M1627-L1687 HydrophobicContact SD-CG 3.88Å; L1637-L1687 HydrophobicContact CD2-CD1 4.35Å; A1683-L1687 WeakPolarHBondContact O-CG 3.4Å; A1683-L1687 PolarHBondContact O-N 3.25Å; Q1684-L1687 PolarHBondContact O-N 2.72Å; L1687-S1689 VanDerWaalsContact C-N 3.27Å; L1687-S1689 PolarHBondContact O-N 3.3Å; L1687-L1690 HydrophobicContact CD2-CD1 4.08Å; L1687-L1690 WeakPolarHBondContact O-CB 3.44Å; L1687-L1690 WeakPolarHBondContact O-CG 3.26Å; L1687-L1690 PolarHBondContact O-N 3.44Å; L1687-W1691 WeakPolarHBondContact O-CZ3 3.24Å |
| 1688 | L | 87.6 | Confident | 76 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.3 | -34.2 | 171.6 | -70.9 | 170.5 | 0 | 0 | 0 | 112.5 | A1463 Q1465 I1568 W1570 P1596 L1612 Q1684 C1685 F1686 L1690 W1691 | A1463-L1688 HydrophobicContact CB-CB 3.89Å; Q1465-L1688 HydrophobicContact CB-CD1 4.4Å; I1568-L1688 HydrophobicContact CG2-CB 4.13Å; I1568-L1688 HydrophobicContact CG2-CD2 4.15Å; W1570-L1688 HydrophobicContact CB-CD1 4.21Å; W1570-L1688 HydrophobicContact CB-CD2 4.09Å; W1570-L1688 HydrophobicContact CE3-CD2 4Å; P1596-L1688 HydrophobicContact CG-CD2 4.27Å; L1612-L1688 HydrophobicContact CD1-CD2 3.7Å; L1612-L1688 HydrophobicContact CD1-CG 4.18Å; L1612-L1688 HydrophobicContact CD2-CG 4.36Å; Q1684-L1688 WeakPolarHBondContact O-CG 3.31Å; Q1684-L1688 PolarHBondContact O-N 3.4Å; C1685-L1688 PolarHBondContact O-N 2.94Å; F1686-L1688 VanDerWaalsContact C-N 3.35Å; F1686-L1688 PolarHBondContact O-N 3.4Å; L1688-L1690 PolarHBondContact O-N 3.43Å; L1688-W1691 PolarHBondContact O-N 2.92Å |
| 1689 | S | 86.6 | Confident | 74.1 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.2 | -20.7 | 178 | 87.7 | 0 | 0 | 0 | 0 | 113.6 | C1685 F1686 L1687 W1691 T1692 | C1685-S1689 PolarHBondContact O-N 3.25Å; F1686-S1689 WeakPolarHBondContact O-CB 3.5Å; F1686-S1689 PolarHBondContact O-N 3.41Å; F1686-S1689 VanDerWaalsContact O-N 3.08Å; F1686-S1689 PolarHBondContact O-OG 3.06Å; L1687-S1689 VanDerWaalsContact C-N 3.27Å; L1687-S1689 PolarHBondContact O-N 3.3Å; S1689-W1691 PolarHBondContact O-N 3.47Å; S1689-T1692 WeakPolarHBondContact O-CB 3.28Å; S1689-T1692 WeakPolarHBondContact O-CG2 3.4Å; S1689-T1692 PolarHBondContact O-N 3.31Å; S1689-T1692 PolarHBondContact O-OG1 3.35Å |
| 1690 | L | 84.3 | Confident | 72 | Confident | 17 Ų | 17 | 33.1 Ų | 33.1 | 9% | 0.089 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.6 | -31.2 | 178.5 | -59.4 | 176.9 | 0 | 0 | 0 | 112.5 | A1616 L1619 N1620 V1623 F1686 L1687 L1688 T1692 T1693 | A1616-L1690 HydrophobicContact CB-CD1 4.46Å; L1619-L1690 HydrophobicContact CD1-CB 4.2Å; N1620-L1690 HydrophobicContact CB-CD1 4.21Å; V1623-L1690 HydrophobicContact CG1-CD1 4.37Å; F1686-L1690 HydrophobicContact CE1-CD2 4.44Å; F1686-L1690 PolarHBondContact O-N 2.94Å; L1687-L1690 HydrophobicContact CD2-CD1 4.08Å; L1687-L1690 WeakPolarHBondContact O-CB 3.44Å; L1687-L1690 WeakPolarHBondContact O-CG 3.26Å; L1687-L1690 PolarHBondContact O-N 3.44Å; L1688-L1690 PolarHBondContact O-N 3.43Å; L1690-T1692 VanDerWaalsContact C-N 3.27Å; L1690-T1692 PolarHBondContact O-N 3.49Å; L1690-T1693 PolarHBondContact O-N 2.87Å; L1690-T1693 PolarHBondContact O-OG1 3.42Å |
| 1691 | W | 81.6 | Confident | 69.9 | Low | 20 Ų | 20 | 37.9 Ų | 37.9 | 8% | 0.076 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.2 | -22.1 | 175.3 | -81 | -92.6 | 0 | 0 | 0 | 113.7 | I1568 Y1594 P1596 L1612 E1615 A1616 L1619 L1687 L1688 S1689 T1693 H1694 S1695 | I1568-W1691 HydrophobicContact CD1-CB 3.91Å; Y1594-W1691 HydrophobicContact CE1-CB 4.3Å; Y1594-W1691 AromaticContact CE1-CD1 3.47Å; Y1594-W1691 VanDerWaalsContact CE1-CD1 3.47Å; Y1594-W1691 AromaticContact CE1-CG 3.98Å; Y1594-W1691 HydrophobicContact CE1-CG 3.98Å; Y1594-W1691 AromaticContact CZ-CD1 3.94Å; P1596-W1691 HydrophobicContact CB-CD2 4.32Å; P1596-W1691 HydrophobicContact CB-CH2 4.44Å; P1596-W1691 HydrophobicContact CB-CZ2 3.82Å; P1596-W1691 HydrophobicContact CG-CD2 4.06Å; P1596-W1691 HydrophobicContact CG-CE3 4.43Å; P1596-W1691 HydrophobicContact CG-CG 4.43Å; P1596-W1691 HydrophobicContact CG-CZ2 4.34Å; L1612-W1691 HydrophobicContact CD1-CH2 3.9Å; L1612-W1691 HydrophobicContact CD1-CZ3 3.77Å; E1615-W1691 HydrophobicContact CB-CH2 3.96Å; E1615-W1691 HydrophobicContact CB-CZ2 3.84Å; A1616-W1691 HydrophobicContact CB-CH2 4.14Å; A1616-W1691 HydrophobicContact CB-CZ3 4.26Å; L1619-W1691 HydrophobicContact CD1-CD2 3.47Å; L1619-W1691 VanDerWaalsContact CD1-CD2 3.47Å; L1619-W1691 VanDerWaalsContact CD1-CE2 3.46Å; L1619-W1691 HydrophobicContact CD1-CE3 3.87Å; L1619-W1691 HydrophobicContact CD1-CG 3.82Å; L1619-W1691 HydrophobicContact CD1-CH2 4.27Å; L1619-W1691 HydrophobicContact CD1-CZ2 3.88Å; L1619-W1691 HydrophobicContact CD1-CZ3 4.25Å; L1619-W1691 HydrophobicContact CG-CZ2 4.5Å; L1687-W1691 WeakPolarHBondContact O-CZ3 3.24Å; L1688-W1691 PolarHBondContact O-N 2.92Å; S1689-W1691 PolarHBondContact O-N 3.47Å; W1691-T1693 PolarHBondContact O-N 3.25Å; W1691-H1694 PolarHBondContact O-N 3.04Å; W1691-S1695 PolarHBondContact O-N 2.99Å |
| 1692 | T | 73.1 | Confident | 67.8 | Low | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.5 | -36.4 | 177.2 | 63.1 | 0 | 0 | 0 | 0 | 112 | Y1461 I1568 S1689 L1690 S1695 | Y1461-T1692 WeakPolarHBondContact O-CG2 3.42Å; I1568-T1692 HydrophobicContact CD1-CG2 3.56Å; S1689-T1692 WeakPolarHBondContact O-CB 3.28Å; S1689-T1692 WeakPolarHBondContact O-CG2 3.4Å; S1689-T1692 PolarHBondContact O-N 3.31Å; S1689-T1692 PolarHBondContact O-OG1 3.35Å; L1690-T1692 VanDerWaalsContact C-N 3.27Å; L1690-T1692 PolarHBondContact O-N 3.49Å; T1692-S1695 PolarHBondContact O-OG 3.02Å |
| 1693 | T | 63.6 | Low | 66 | Low | 63 Ų | 63 | 43.9 Ų | 43.9 | 39% | 0.387 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -86.5 | -35.8 | -177 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | V1523 L1690 W1691 N1696 | V1523-T1693 HydrophobicContact CB-CG2 4.06Å; V1523-T1693 HydrophobicContact CG1-CG2 3.97Å; V1523-T1693 HydrophobicContact CG2-CG2 3.9Å; L1690-T1693 PolarHBondContact O-N 2.87Å; L1690-T1693 PolarHBondContact O-OG1 3.42Å; W1691-T1693 PolarHBondContact O-N 3.25Å; T1693-N1696 PolarHBondContact O-ND2 3.38Å |
| 1694 | H | 56.1 | Low | 64.5 | Low | 82 Ų | 82 | 47.3 Ų | 47.3 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -85.6 | -4.2 | -175.3 | -81 | -89.6 | 0 | 0 | 0 | 115 | L1619 W1691 N1696 N1697 | L1619-H1694 HydrophobicContact CD2-CB 4.04Å; W1691-H1694 PolarHBondContact O-N 3.04Å; H1694-N1696 PolarHBondContact O-N 3.01Å; H1694-N1697 PolarHBondContact O-N 3.36Å |
| 1695 | S | 51.2 | Low | 63.4 | Low | 30 Ų | 30 | 51 Ų | 51 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -45.9 | -23.3 | 174 | 53.7 | 0 | 0 | 0 | 0 | 115.4 | W1691 T1692 L1699 | W1691-S1695 PolarHBondContact O-N 2.99Å; T1692-S1695 PolarHBondContact O-OG 3.02Å; S1695-L1699 WeakPolarHBondContact O-CD1 3.11Å |
| 1696 | N | 43.5 | Very low | 62.7 | Low | 79 Ų | 79 | 51.1 Ų | 51.1 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -73.7 | -23.4 | -177.2 | -63 | -84.8 | 0 | 0 | 0 | 115.3 | K1458 T1693 H1694 | K1458-N1696 WeakPolarHBondContact CE-OD1 3.4Å; K1458-N1696 PolarHBondContact NZ-OD1 3.5Å; T1693-N1696 PolarHBondContact O-ND2 3.38Å; H1694-N1696 PolarHBondContact O-N 3.01Å |
| 1697 | N | 43.8 | Very low | 62.3 | Low | 128 Ų | 128 | 51.3 Ų | 51.3 | 68% | 0.684 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -113.9 | -32 | -174 | -80.2 | 4.3 | 0 | 0 | 0 | 114.6 | H1694 S1700 | H1694-N1697 PolarHBondContact O-N 3.36Å; N1697-S1700 PolarHBondContact O-OG 3.29Å |
| 1698 | C | 43.3 | Very low | 61.8 | Low | 87 Ų | 87 | 55.3 Ų | 55.3 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -81.8 | -25.5 | -177.7 | -64.3 | 0 | 0 | 0 | 0 | 114.5 | S1700 | C1698-S1700 PolarHBondContact O-N 3.31Å |
| 1699 | L | 44.5 | Very low | 61.5 | Low | 57 Ų | 57 | 60.1 Ų | 60.1 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 0.6 | -179.4 | -85.8 | 88.7 | 0 | 0 | 0 | 114.5 | Y1594 S1695 N1704 | Y1594-L1699 HydrophobicContact CE2-CD1 4.28Å; S1695-L1699 WeakPolarHBondContact O-CD1 3.11Å; L1699-N1704 PolarHBondContact O-ND2 2.89Å |
| 1700 | S | 39.8 | Very low | 61.6 | Low | 87 Ų | 87 | 60.4 Ų | 60.4 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -7.7 | -165.4 | 66.1 | 0 | 0 | 0 | 0 | 115.4 | N1697 C1698 | N1697-S1700 PolarHBondContact O-OG 3.29Å; C1698-S1700 PolarHBondContact O-N 3.31Å |
| 1701 | T | 40.9 | Very low | 61.8 | Low | 112 Ų | 112 | 59.8 Ų | 59.8 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -134.7 | 94 | -177.4 | 33.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1702 | V | 43.5 | Very low | 62 | Low | 107 Ų | 107 | 59.3 Ų | 59.3 | 65% | 0.648 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 78.4 | 146.5 | 165.1 | -171.7 | 0 | 0 | 0 | 0 | 115.7 | N1704 I2087 | V1702-N1704 PolarHBondContact O-N 3.15Å; V1702-I2087 HydrophobicContact CG1-CD1 4.09Å |
| 1703 | Q | 52.1 | Low | 62.7 | Low | 26 Ų | 26 | 61.1 Ų | 61.1 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | trans | 75.1 | 1.6 | 167.5 | -87.8 | 170.6 | 13.2 | 0 | 0 | 122.5 | L1602 S1705 L1706 L1707 G2085 I2087 | L1602-Q1703 PolarHBondContact O-OE1 3.44Å; Q1703-S1705 PolarHBondContact O-N 2.71Å; Q1703-S1705 VanDerWaalsContact O-N 3.08Å; Q1703-L1706 HydrophobicContact CB-CB 4.44Å; Q1703-L1706 HydrophobicContact CG-CB 4.11Å; Q1703-L1706 HydrophobicContact CG-CD2 4.01Å; Q1703-L1706 PolarHBondContact O-N 3.48Å; Q1703-L1707 PolarHBondContact O-N 3.38Å; Q1703-G2085 PolarHBondContact NE2-O 2.95Å; Q1703-I2087 VanDerWaalsContact NE2-N 3.16Å | ||
| 1704 | N | 57.4 | Low | 64.1 | Low | 73 Ų | 73 | 58.2 Ų | 58.2 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -50 | -39.3 | 172.5 | -64.7 | -14.3 | 0 | 0 | 0 | 113 | L1699 V1702 L1706 L1707 D1708 | L1699-N1704 PolarHBondContact O-ND2 2.89Å; V1702-N1704 PolarHBondContact O-N 3.15Å; N1704-L1706 VanDerWaalsContact C-N 3.35Å; N1704-L1706 PolarHBondContact O-N 3.28Å; N1704-L1707 PolarHBondContact O-N 3.05Å; N1704-D1708 WeakPolarHBondContact O-CB 3.33Å; N1704-D1708 PolarHBondContact O-N 3.44Å |
| 1705 | S | 67.2 | Low | 65.7 | Low | 87 Ų | 87 | 54.6 Ų | 54.6 | 61% | 0.608 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.7 | -31.1 | 176.7 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | Q1703 V1709 | Q1703-S1705 PolarHBondContact O-N 2.71Å; Q1703-S1705 VanDerWaalsContact O-N 3.08Å; S1705-V1709 WeakPolarHBondContact O-CB 3.49Å; S1705-V1709 WeakPolarHBondContact O-CG2 3.42Å; S1705-V1709 PolarHBondContact O-N 2.98Å |
| 1706 | L | 78.3 | Confident | 67.4 | Low | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -77.8 | -42.1 | 180 | -175.2 | 66.7 | 0 | 0 | 0 | 110.9 | L1602 Q1703 N1704 I1710 E1711 N2084 H2086 | L1602-L1706 HydrophobicContact CD2-CD2 3.84Å; L1602-L1706 HydrophobicContact CD2-CG 4.46Å; Q1703-L1706 HydrophobicContact CB-CB 4.44Å; Q1703-L1706 HydrophobicContact CG-CB 4.11Å; Q1703-L1706 HydrophobicContact CG-CD2 4.01Å; Q1703-L1706 PolarHBondContact O-N 3.48Å; N1704-L1706 VanDerWaalsContact C-N 3.35Å; N1704-L1706 PolarHBondContact O-N 3.28Å; L1706-I1710 HydrophobicContact CD1-CB 4.41Å; L1706-I1710 HydrophobicContact CD1-CD1 3.86Å; L1706-I1710 HydrophobicContact CD1-CG1 4.38Å; L1706-I1710 PolarHBondContact O-N 3.41Å; L1706-I1710 VanDerWaalsContact O-N 3.15Å; L1706-E1711 PolarHBondContact O-N 3.36Å; L1706-E1711 VanDerWaalsContact O-N 3.16Å; L1706-N2084 HydrophobicContact CD1-CB 4.09Å; L1706-H2086 HydrophobicContact CD2-CB 3.73Å |
| 1707 | L | 81.4 | Confident | 69.6 | Low | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -63.3 | -51.3 | 177.6 | -179.3 | 62.4 | 0 | 0 | 0 | 111.4 | L1598 L1602 Q1703 N1704 E1711 L1712 | L1598-L1707 HydrophobicContact CB-CD1 4.47Å; L1598-L1707 HydrophobicContact CD2-CD1 3.71Å; L1598-L1707 HydrophobicContact CG-CD1 3.91Å; L1602-L1707 HydrophobicContact CD1-CB 3.82Å; L1602-L1707 HydrophobicContact CD1-CD1 3.82Å; L1602-L1707 HydrophobicContact CD1-CG 4.34Å; Q1703-L1707 PolarHBondContact O-N 3.38Å; N1704-L1707 PolarHBondContact O-N 3.05Å; L1707-E1711 PolarHBondContact O-N 2.78Å; L1707-L1712 HydrophobicContact CD1-CD1 4.02Å; L1707-L1712 HydrophobicContact CD1-CD2 4.48Å; L1707-L1712 HydrophobicContact CD1-CG 3.81Å; L1707-L1712 HydrophobicContact CD2-CD1 4.48Å; L1707-L1712 HydrophobicContact CG-CD1 3.8Å; L1707-L1712 HydrophobicContact CG-CG 4.12Å; L1707-L1712 WeakPolarHBondContact O-CB 3.43Å; L1707-L1712 PolarHBondContact O-N 3.25Å |
| 1708 | D | 77.6 | Confident | 71.8 | Confident | 84 Ų | 84 | 44.7 Ų | 44.7 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -77.8 | -32.3 | -173 | -67.7 | -26.5 | 0 | 0 | 0 | 113.6 | N1704 P1713 | N1704-D1708 WeakPolarHBondContact O-CB 3.33Å; N1704-D1708 PolarHBondContact O-N 3.44Å; D1708-P1713 WeakPolarHBondContact O-CD 3.43Å; D1708-P1713 VanDerWaalsContact O-CG 3.31Å; D1708-P1713 WeakPolarHBondContact O-CG 3.31Å |
| 1709 | V | 81.8 | Confident | 73.8 | Confident | 101 Ų | 101 | 40.6 Ų | 40.6 | 61% | 0.612 | 25% | 0.245 | S | C | * | . | I | π-helix | trans | -93.2 | -31.4 | -175.3 | -175.7 | 0 | 0 | 0 | 0 | 112.9 | S1705 | S1705-V1709 WeakPolarHBondContact O-CB 3.49Å; S1705-V1709 WeakPolarHBondContact O-CG2 3.42Å; S1705-V1709 PolarHBondContact O-N 2.98Å |
| 1710 | I | 87.9 | Confident | 75.8 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -115.1 | -61.6 | -175.1 | -53.4 | -171.9 | 0 | 0 | 0 | 111.6 | L1706 C1714 N2084 K2144 I2145 | L1706-I1710 HydrophobicContact CD1-CB 4.41Å; L1706-I1710 HydrophobicContact CD1-CD1 3.86Å; L1706-I1710 HydrophobicContact CD1-CG1 4.38Å; L1706-I1710 PolarHBondContact O-N 3.41Å; L1706-I1710 VanDerWaalsContact O-N 3.15Å; I1710-C1714 WeakPolarHBondContact O-CB 3.47Å; I1710-C1714 PolarHBondContact O-N 2.86Å; I1710-N2084 HydrophobicContact CD1-CB 4.35Å; I1710-K2144 HydrophobicContact CG2-CB 3.63Å; I1710-K2144 HydrophobicContact CG2-CD 3.89Å; I1710-K2144 HydrophobicContact CG2-CG 4.39Å; I1710-I2145 HydrophobicContact CD1-CD1 3.67Å; I1710-I2145 HydrophobicContact CD1-CG1 3.64Å; I1710-I2145 HydrophobicContact CG1-CG1 4.11Å |
| 1711 | E | 89 | Confident | 78.1 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -74 | -45.3 | -163.9 | -64.6 | -60.8 | 159.1 | 0 | 0 | 113.9 | L1598 W1601 L1602 L1706 L1707 C1714 Q1715 K2144 | L1598-E1711 HydrophobicContact CD1-CB 4.42Å; L1598-E1711 HydrophobicContact CD2-CB 4.05Å; L1598-E1711 HydrophobicContact CG-CB 4.41Å; W1601-E1711 HydrophobicContact CZ3-CG 4.25Å; L1602-E1711 HydrophobicContact CD2-CG 4.26Å; L1706-E1711 PolarHBondContact O-N 3.36Å; L1706-E1711 VanDerWaalsContact O-N 3.16Å; L1707-E1711 PolarHBondContact O-N 2.78Å; E1711-C1714 WeakPolarHBondContact O-CB 3.49Å; E1711-C1714 PolarHBondContact O-N 3.39Å; E1711-Q1715 WeakPolarHBondContact O-CG 3.27Å; E1711-Q1715 PolarHBondContact O-N 3.15Å; E1711-K2144 WeakPolarHBondContact OE1-CD 3.35Å; E1711-K2144 IonicContact OE1-NZ 3.06Å; E1711-K2144 PolarHBondContact OE1-NZ 3.38Å; E1711-K2144 IonicContact OE2-NZ 3.58Å; E1711-K2144 PolarHBondContact OE2-NZ 2.89Å |
| 1712 | L | 86.8 | Confident | 80.2 | Confident | 10 Ų | 10 | 30.1 Ų | 30.1 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -47.2 | 176.8 | -75.4 | 168.8 | 0 | 0 | 0 | 112.6 | V1572 I1593 N1595 L1598 L1707 C1714 Q1715 S1716 | V1572-L1712 HydrophobicContact CG1-CD2 4.37Å; V1572-L1712 HydrophobicContact CG2-CD2 4.04Å; I1593-L1712 WeakPolarHBondContact O-CD1 3.35Å; N1595-L1712 HydrophobicContact CB-CD2 4.17Å; L1598-L1712 HydrophobicContact CD2-CD2 3.83Å; L1598-L1712 HydrophobicContact CD2-CG 4.11Å; L1707-L1712 HydrophobicContact CD1-CD1 4.02Å; L1707-L1712 HydrophobicContact CD1-CD2 4.48Å; L1707-L1712 HydrophobicContact CD1-CG 3.81Å; L1707-L1712 HydrophobicContact CD2-CD1 4.48Å; L1707-L1712 HydrophobicContact CG-CD1 3.8Å; L1707-L1712 HydrophobicContact CG-CG 4.12Å; L1707-L1712 WeakPolarHBondContact O-CB 3.43Å; L1707-L1712 PolarHBondContact O-N 3.25Å; L1712-C1714 VanDerWaalsContact C-N 3.26Å; L1712-C1714 PolarHBondContact O-N 3.16Å; L1712-Q1715 PolarHBondContact O-N 3.17Å; L1712-Q1715 VanDerWaalsContact O-N 3.16Å; L1712-S1716 PolarHBondContact O-N 2.9Å |
| 1713 | P | 87.9 | Confident | 81.8 | Confident | 43 Ų | 43 | 26.2 Ų | 26.2 | 28% | 0.279 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58 | -38 | 171.4 | -27.3 | 37.1 | 0 | 0 | 0 | 112.8 | D1708 Q1715 S1716 L1717 L2148 | D1708-P1713 WeakPolarHBondContact O-CD 3.43Å; D1708-P1713 VanDerWaalsContact O-CG 3.31Å; D1708-P1713 WeakPolarHBondContact O-CG 3.31Å; P1713-Q1715 VanDerWaalsContact C-N 3.34Å; P1713-Q1715 PolarHBondContact O-N 3.47Å; P1713-S1716 WeakPolarHBondContact O-CB 2.88Å; P1713-S1716 PolarHBondContact O-N 2.96Å; P1713-S1716 VanDerWaalsContact O-N 3.11Å; P1713-L1717 PolarHBondContact O-N 2.99Å; P1713-L1717 VanDerWaalsContact O-N 3.08Å; P1713-L2148 HydrophobicContact CB-CD1 3.9Å; P1713-L2148 HydrophobicContact CB-CD2 3.61Å; P1713-L2148 HydrophobicContact CB-CG 4.41Å |
| 1714 | C | 91.1 | Very high | 83.2 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 176.4 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | I1710 E1711 L1712 S1716 L1717 L1718 K2144 | I1710-C1714 WeakPolarHBondContact O-CB 3.47Å; I1710-C1714 PolarHBondContact O-N 2.86Å; E1711-C1714 WeakPolarHBondContact O-CB 3.49Å; E1711-C1714 PolarHBondContact O-N 3.39Å; L1712-C1714 VanDerWaalsContact C-N 3.26Å; L1712-C1714 PolarHBondContact O-N 3.16Å; C1714-S1716 VanDerWaalsContact C-N 3.29Å; C1714-S1716 PolarHBondContact O-N 3.3Å; C1714-L1717 PolarHBondContact O-N 2.97Å; C1714-L1718 WeakPolarHBondContact O-CB 3.42Å; C1714-L1718 VanDerWaalsContact O-CG 3.31Å; C1714-L1718 WeakPolarHBondContact O-CG 3.27Å; C1714-L1718 PolarHBondContact O-N 3.23Å; C1714-K2144 HydrophobicContact CB-CD 4.48Å |
| 1715 | Q | 89.6 | Confident | 84.5 | Confident | 7 Ų | 7 | 23 Ų | 23 | 3% | 0.033 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -36.9 | 173.1 | -59.3 | -43.7 | -54.7 | 0 | 0 | 112.7 | V1572 K1573 L1598 E1711 L1712 P1713 A1719 V1870 | V1572-Q1715 HydrophobicContact CG1-CB 4.02Å; V1572-Q1715 HydrophobicContact CG1-CG 3.77Å; K1573-Q1715 HydrophobicContact CB-CB 4.49Å; K1573-Q1715 VanDerWaalsContact CE-OE1 3.26Å; L1598-Q1715 HydrophobicContact CD2-CG 4.16Å; E1711-Q1715 WeakPolarHBondContact O-CG 3.27Å; E1711-Q1715 PolarHBondContact O-N 3.15Å; L1712-Q1715 PolarHBondContact O-N 3.17Å; L1712-Q1715 VanDerWaalsContact O-N 3.16Å; P1713-Q1715 VanDerWaalsContact C-N 3.34Å; P1713-Q1715 PolarHBondContact O-N 3.47Å; Q1715-A1719 WeakPolarHBondContact O-CB 3.45Å; Q1715-A1719 PolarHBondContact O-N 3.05Å; Q1715-V1870 VanDerWaalsContact NE2-CG1 3.3Å; Q1715-V1870 VanDerWaalsContact NE2-CG2 3.29Å |
| 1716 | S | 87.4 | Confident | 85.6 | Confident | 22 Ų | 22 | 18.9 Ų | 18.9 | 15% | 0.154 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.3 | -36.8 | 177.5 | -165.3 | 0 | 0 | 0 | 0 | 113.1 | L1712 P1713 C1714 R1720 | L1712-S1716 PolarHBondContact O-N 2.9Å; P1713-S1716 WeakPolarHBondContact O-CB 2.88Å; P1713-S1716 PolarHBondContact O-N 2.96Å; P1713-S1716 VanDerWaalsContact O-N 3.11Å; C1714-S1716 VanDerWaalsContact C-N 3.29Å; C1714-S1716 PolarHBondContact O-N 3.3Å; S1716-R1720 PolarHBondContact O-N 2.77Å; S1716-R1720 PolarHBondContact O-NE 2.88Å |
| 1717 | L | 90.2 | Very high | 86.1 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.1 | -42.1 | 173.6 | 179.9 | 53.3 | 0 | 0 | 0 | 111.7 | P1713 C1714 R1720 M1721 M2147 L2148 D2151 L2165 | P1713-L1717 PolarHBondContact O-N 2.99Å; P1713-L1717 VanDerWaalsContact O-N 3.08Å; C1714-L1717 PolarHBondContact O-N 2.97Å; L1717-R1720 PolarHBondContact O-N 2.85Å; L1717-M1721 WeakPolarHBondContact O-CB 3.45Å; L1717-M1721 PolarHBondContact O-N 2.69Å; L1717-M2147 HydrophobicContact CD2-CB 3.75Å; L1717-M2147 HydrophobicContact CD2-CE 4.13Å; L1717-M2147 WeakPolarHBondContact CD2-O 3.46Å; L1717-M2147 HydrophobicContact CG-CE 4.47Å; L1717-L2148 HydrophobicContact CB-CD2 4.41Å; L1717-L2148 HydrophobicContact CD2-CD2 4.29Å; L1717-D2151 HydrophobicContact CD1-CB 4.15Å; L1717-D2151 HydrophobicContact CD2-CB 4.04Å; L1717-L2165 HydrophobicContact CD2-CD2 4.5Å |
| 1718 | L | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.3 | -69.3 | 176.8 | 0 | 0 | 0 | 111.7 | K1573 C1714 R1720 M1721 E1722 Y1868 V1870 I1877 M2147 | K1573-L1718 HydrophobicContact CD-CB 4.34Å; C1714-L1718 WeakPolarHBondContact O-CB 3.42Å; C1714-L1718 VanDerWaalsContact O-CG 3.31Å; C1714-L1718 WeakPolarHBondContact O-CG 3.27Å; C1714-L1718 PolarHBondContact O-N 3.23Å; L1718-R1720 VanDerWaalsContact C-N 3.3Å; L1718-R1720 PolarHBondContact O-N 3.32Å; L1718-M1721 HydrophobicContact CD2-SD 3.72Å; L1718-M1721 WeakPolarHBondContact O-CB 3.41Å; L1718-M1721 PolarHBondContact O-N 2.77Å; L1718-E1722 WeakPolarHBondContact O-CG 3.21Å; L1718-E1722 PolarHBondContact O-N 3.12Å; L1718-Y1868 HydrophobicContact CD2-CD2 4.13Å; L1718-Y1868 HydrophobicContact CD2-CG 4.03Å; L1718-V1870 HydrophobicContact CD1-CG1 3.73Å; L1718-I1877 HydrophobicContact CD1-CD1 4.32Å; L1718-I1877 HydrophobicContact CD1-CG2 3.87Å; L1718-I1877 HydrophobicContact CD2-CD1 4.27Å; L1718-I1877 HydrophobicContact CD2-CG2 4Å; L1718-M2147 HydrophobicContact CD2-CE 4.15Å |
| 1719 | A | 85.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 2% | 0.017 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.8 | -45.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K1573 R1577 Q1715 S1723 | K1573-A1719 HydrophobicContact CG-CB 3.78Å; R1577-A1719 HydrophobicContact CG-CB 3.7Å; Q1715-A1719 WeakPolarHBondContact O-CB 3.45Å; Q1715-A1719 PolarHBondContact O-N 3.05Å; A1719-S1723 PolarHBondContact O-N 3.24Å; A1719-S1723 VanDerWaalsContact O-N 3.09Å; A1719-S1723 PolarHBondContact O-OG 3.02Å |
| 1720 | R | 85.3 | Confident | 87 | Confident | 32 Ų | 32 | 14.1 Ų | 14.1 | 12% | 0.121 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.2 | -42.2 | 176.9 | -71 | 178.5 | -72.4 | 148.1 | -5.3 | 112.6 | N1587 S1716 L1717 L1718 E1722 S1723 N1724 D2151 H2155 | N1587-R1720 WeakPolarHBondContact ND2-CD 3.34Å; S1716-R1720 PolarHBondContact O-N 2.77Å; S1716-R1720 PolarHBondContact O-NE 2.88Å; L1717-R1720 PolarHBondContact O-N 2.85Å; L1718-R1720 VanDerWaalsContact C-N 3.3Å; L1718-R1720 PolarHBondContact O-N 3.32Å; R1720-E1722 VanDerWaalsContact C-N 3.29Å; R1720-E1722 PolarHBondContact O-N 3.13Å; R1720-S1723 PolarHBondContact O-N 2.85Å; R1720-N1724 WeakPolarHBondContact O-CB 3.38Å; R1720-N1724 PolarHBondContact O-N 3Å; R1720-N1724 PolarHBondContact O-OD1 3.42Å; R1720-D2151 IonicContact CZ-OD1 3.62Å; R1720-D2151 IonicContact CZ-OD2 2.9Å; R1720-D2151 IonicContact NH1-OD1 3.44Å; R1720-D2151 PolarHBondContact NH1-OD1 3.31Å; R1720-D2151 IonicContact NH1-OD2 2.65Å; R1720-D2151 PolarHBondContact NH1-OD2 2.72Å; R1720-D2151 VanDerWaalsContact NH1-OD2 3.12Å; R1720-D2151 IonicContact NH2-OD1 3.27Å; R1720-D2151 IonicContact NH2-OD2 3.38Å; R1720-D2151 PolarHBondContact NH2-OD2 3.02Å; R1720-H2155 PolarHBondContact NH1-CE1 3.12Å; R1720-H2155 VanDerWaalsContact NH1-CE1 3.31Å |
| 1721 | M | 88 | Confident | 86.9 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.5 | -39.7 | 176.4 | -176.5 | 179 | -168.1 | 0 | 0 | 112 | L1717 L1718 G1725 Y1868 L2165 H2168 | L1717-M1721 WeakPolarHBondContact O-CB 3.45Å; L1717-M1721 PolarHBondContact O-N 2.69Å; L1718-M1721 HydrophobicContact CD2-SD 3.72Å; L1718-M1721 WeakPolarHBondContact O-CB 3.41Å; L1718-M1721 PolarHBondContact O-N 2.77Å; M1721-G1725 PolarHBondContact O-N 3.17Å; M1721-Y1868 HydrophobicContact CE-CE1 4.33Å; M1721-Y1868 HydrophobicContact CE-CE2 3.98Å; M1721-Y1868 WeakPolarHBondContact CE-OH 3.22Å; M1721-Y1868 HydrophobicContact CG-CE2 3.81Å; M1721-Y1868 HydrophobicContact SD-CD2 4.23Å; M1721-Y1868 HydrophobicContact SD-CE2 3.75Å; M1721-L2165 HydrophobicContact CE-CD1 4.42Å; M1721-L2165 HydrophobicContact CE-CD2 3.77Å; M1721-L2165 HydrophobicContact CE-CG 3.66Å; M1721-L2165 HydrophobicContact CG-CG 4.47Å; M1721-L2165 WeakPolarHBondContact CG-O 3.48Å; M1721-L2165 HydrophobicContact SD-CD2 3.66Å; M1721-L2165 HydrophobicContact SD-CG 4Å; M1721-H2168 HydrophobicContact CE-CB 3.79Å |
| 1722 | E | 84.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.1 | -40.7 | 175.3 | -65.1 | 175.7 | -177.8 | 0 | 0 | 112.5 | K1573 Q1642 L1718 R1720 N1724 S1865 P1866 Y1868 | K1573-E1722 VanDerWaalsContact CD-OE1 3.26Å; K1573-E1722 WeakPolarHBondContact CD-OE1 3.29Å; K1573-E1722 VanDerWaalsContact CD-OE2 3.3Å; K1573-E1722 WeakPolarHBondContact CD-OE2 3.45Å; K1573-E1722 IonicContact NZ-OE1 3.12Å; K1573-E1722 PolarHBondContact NZ-OE1 2.64Å; Q1642-E1722 PolarHBondContact NE2-OE2 3.41Å; Q1642-E1722 PolarHBondContact OE1-OE2 2.88Å; L1718-E1722 WeakPolarHBondContact O-CG 3.21Å; L1718-E1722 PolarHBondContact O-N 3.12Å; R1720-E1722 VanDerWaalsContact C-N 3.29Å; R1720-E1722 PolarHBondContact O-N 3.13Å; E1722-N1724 VanDerWaalsContact C-N 3.33Å; E1722-S1865 WeakPolarHBondContact O-CB 3.35Å; E1722-S1865 PolarHBondContact O-OG 3.41Å; E1722-P1866 WeakPolarHBondContact CG-O 3.34Å; E1722-Y1868 HydrophobicContact CG-CD2 3.67Å; E1722-Y1868 HydrophobicContact CG-CE2 4.22Å; E1722-Y1868 PolarHBondContact OE1-N 3.01Å |
| 1723 | S | 78.2 | Confident | 86.7 | Confident | 25 Ų | 25 | 19.5 Ų | 19.5 | 18% | 0.175 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.5 | -33.5 | 173.5 | -68.6 | 0 | 0 | 0 | 0 | 113 | R1577 D1581 A1719 R1720 | R1577-S1723 PolarHBondContact NE-OG 3.37Å; D1581-S1723 VanDerWaalsContact OD1-CB 3.26Å; D1581-S1723 WeakPolarHBondContact OD1-CB 3.37Å; D1581-S1723 PolarHBondContact OD1-OG 3.44Å; D1581-S1723 PolarHBondContact OD2-OG 3.5Å; A1719-S1723 PolarHBondContact O-N 3.24Å; A1719-S1723 VanDerWaalsContact O-N 3.09Å; A1719-S1723 PolarHBondContact O-OG 3.02Å; R1720-S1723 PolarHBondContact O-N 2.85Å |
| 1724 | N | 82.3 | Confident | 86.7 | Confident | 32 Ų | 32 | 19 Ų | 19 | 17% | 0.171 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.8 | -45.9 | 176.2 | -70.4 | -11.2 | 0 | 0 | 0 | 111.8 | R1720 E1722 R1863 | R1720-N1724 WeakPolarHBondContact O-CB 3.38Å; R1720-N1724 PolarHBondContact O-N 3Å; R1720-N1724 PolarHBondContact O-OD1 3.42Å; E1722-N1724 VanDerWaalsContact C-N 3.33Å; N1724-R1863 WeakPolarHBondContact O-CD 3.4Å; N1724-R1863 PolarHBondContact O-NH1 3.37Å |
| 1725 | G | 84.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | 61.2 | -173.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1721 R1863 I1864 V2166 | M1721-G1725 PolarHBondContact O-N 3.17Å; G1725-R1863 PolarHBondContact O-NH1 3.35Å; G1725-I1864 WeakPolarHBondContact CA-O 3.43Å; G1725-V2166 WeakPolarHBondContact O-CG1 3.39Å | ||
| 1726 | F | 89.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.9 | -177.9 | -158.3 | 166.2 | 0 | 0 | 0 | 109.4 | L1728 R1863 I1864 L1884 F1941 L1949 V2166 L2167 I2174 W2217 | F1726-L1728 PolarHBondContact O-N 3.14Å; F1726-R1863 CarbonylContact O-C 3.49Å; F1726-R1863 WeakPolarHBondContact O-CA 3.47Å; F1726-I1864 HydrophobicContact CB-CG2 4.36Å; F1726-I1864 PolarHBondContact N-O 2.89Å; F1726-I1864 PolarHBondContact O-N 2.95Å; F1726-L1884 HydrophobicContact CD1-CD1 4.19Å; F1726-F1941 HydrophobicContact CD1-CB 4.43Å; F1726-F1941 AromaticContact CD1-CD1 3.81Å; F1726-F1941 HydrophobicContact CD1-CD1 3.81Å; F1726-F1941 HydrophobicContact CD2-CB 4.31Å; F1726-F1941 HydrophobicContact CE1-CB 4Å; F1726-F1941 HydrophobicContact CE1-CD1 4.09Å; F1726-F1941 HydrophobicContact CE1-CG 4.37Å; F1726-F1941 HydrophobicContact CE2-CB 3.86Å; F1726-F1941 HydrophobicContact CG-CD1 4.07Å; F1726-F1941 HydrophobicContact CZ-CB 3.71Å; F1726-L1949 HydrophobicContact CE2-CD1 3.77Å; F1726-L1949 HydrophobicContact CE2-CD2 3.9Å; F1726-L1949 HydrophobicContact CZ-CD1 3.8Å; F1726-L1949 HydrophobicContact CZ-CD2 4.45Å; F1726-V2166 HydrophobicContact CB-CB 4.32Å; F1726-V2166 HydrophobicContact CD1-CB 4.45Å; F1726-V2166 HydrophobicContact CD1-CG2 4.07Å; F1726-V2166 HydrophobicContact CD2-CB 4.41Å; F1726-V2166 HydrophobicContact CD2-CG2 3.99Å; F1726-V2166 HydrophobicContact CE1-CG2 4.12Å; F1726-V2166 HydrophobicContact CE2-CG2 4.04Å; F1726-V2166 HydrophobicContact CG-CB 4.16Å; F1726-V2166 HydrophobicContact CG-CG2 4Å; F1726-V2166 HydrophobicContact CZ-CG2 4.1Å; F1726-L2167 HydrophobicContact CD1-CB 4.27Å; F1726-L2167 HydrophobicContact CE1-CB 4.18Å; F1726-L2167 HydrophobicContact CE1-CD2 4.23Å; F1726-I2174 HydrophobicContact CZ-CG2 4.43Å; F1726-W2217 HydrophobicContact CE1-CD2 4.41Å; F1726-W2217 HydrophobicContact CE1-CE3 4.32Å; F1726-W2217 HydrophobicContact CZ-CB 4.17Å; F1726-W2217 HydrophobicContact CZ-CG 4.43Å |
| 1727 | I | 88.8 | Confident | 86.7 | Confident | 13 Ų | 13 | 25.1 Ų | 25.1 | 7% | 0.067 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 133.8 | 177.1 | -65.6 | 170 | 0 | 0 | 0 | 110.5 | P1861 L1862 R1863 F1941 H1942 P1944 | I1727-P1861 HydrophobicContact CD1-CB 4.4Å; I1727-P1861 HydrophobicContact CD1-CG 3.98Å; I1727-P1861 HydrophobicContact CG1-CB 4.43Å; I1727-P1861 HydrophobicContact CG1-CG 4.29Å; I1727-P1861 HydrophobicContact CG2-CB 4Å; I1727-L1862 WeakPolarHBondContact CA-O 3.49Å; I1727-R1863 HydrophobicContact CG1-CG 3.65Å; I1727-F1941 CarbonylContact O-C 3.54Å; I1727-F1941 WeakPolarHBondContact O-CA 3.5Å; I1727-H1942 HydrophobicContact CG2-CB 4.15Å; I1727-H1942 PolarHBondContact O-N 3.36Å; I1727-P1944 HydrophobicContact CD1-CB 3.87Å |
| 1728 | L | 87.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.4 | -177.6 | -179.6 | 146.6 | 0 | 0 | 0 | 111.9 | F1726 L1730 L1733 C1849 L1862 I1864 A1940 F1941 | F1726-L1728 PolarHBondContact O-N 3.14Å; L1728-L1730 HydrophobicContact CD2-CB 4.35Å; L1728-L1733 HydrophobicContact CD1-CD2 4.35Å; L1728-L1733 HydrophobicContact CD2-CD2 4.33Å; L1728-C1849 HydrophobicContact CD2-CB 4.47Å; L1728-L1862 HydrophobicContact CD2-CD2 4.09Å; L1728-L1862 PolarHBondContact N-O 2.81Å; L1728-I1864 HydrophobicContact CB-CG2 4.31Å; L1728-I1864 HydrophobicContact CD1-CD1 4.34Å; L1728-I1864 HydrophobicContact CD1-CG2 4.15Å; L1728-A1940 CarbonylContact C-O 3.55Å; L1728-A1940 WeakPolarHBondContact CA-O 3.24Å; L1728-A1940 HydrophobicContact CG-CB 4.47Å; L1728-F1941 HydrophobicContact CD1-CD1 4.24Å; L1728-F1941 HydrophobicContact CD1-CE1 3.73Å; L1728-F1941 HydrophobicContact CD1-CE2 4.35Å; L1728-F1941 HydrophobicContact CD1-CZ 3.79Å |
| 1729 | N | 86.9 | Confident | 86.5 | Confident | 58 Ų | 58 | 31.1 Ų | 31.1 | 31% | 0.31 | 16% | 0.163 | S | C | . | . | trans | -86.1 | 110.7 | 168.4 | -172.8 | -12.5 | 0 | 0 | 0 | 110.3 | D1731 D1732 L1733 A1940 | N1729-D1731 VanDerWaalsContact C-N 3.33Å; N1729-D1731 PolarHBondContact O-N 3.33Å; N1729-D1731 PolarHBondContact OD1-N 2.98Å; N1729-D1732 HydrophobicContact CB-CB 4.32Å; N1729-D1732 PolarHBondContact ND2-OD2 3.02Å; N1729-D1732 PolarHBondContact O-N 2.8Å; N1729-L1733 PolarHBondContact O-N 3.04Å; N1729-A1940 PolarHBondContact N-O 2.97Å | ||
| 1730 | L | 84.7 | Confident | 86.7 | Confident | 25 Ų | 25 | 31 Ų | 31 | 13% | 0.131 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.3 | -30.9 | -177.3 | -176.9 | 52.2 | 0 | 0 | 0 | 112.5 | L1728 L1733 N1734 C1849 Y1853 L1862 | L1728-L1730 HydrophobicContact CD2-CB 4.35Å; L1730-L1733 HydrophobicContact CD1-CD2 4.39Å; L1730-L1733 PolarHBondContact O-N 3.14Å; L1730-N1734 WeakPolarHBondContact O-CB 3.34Å; L1730-N1734 VanDerWaalsContact O-CG 3.24Å; L1730-N1734 PolarHBondContact O-N 2.86Å; L1730-N1734 PolarHBondContact O-ND2 2.83Å; L1730-N1734 VanDerWaalsContact O-ND2 3.12Å; L1730-C1849 HydrophobicContact CD1-CB 3.77Å; L1730-Y1853 HydrophobicContact CD2-CG 4.49Å; L1730-L1862 HydrophobicContact CB-CD2 4.03Å; L1730-L1862 HydrophobicContact CD2-CD2 4.39Å |
| 1731 | D | 85.6 | Confident | 87 | Confident | 100 Ų | 100 | 32.4 Ų | 32.4 | 54% | 0.535 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.7 | -39.5 | 179.4 | -70.8 | -22.9 | 0 | 0 | 0 | 111.8 | N1729 L1733 N1734 K1735 | N1729-D1731 VanDerWaalsContact C-N 3.33Å; N1729-D1731 PolarHBondContact O-N 3.33Å; N1729-D1731 PolarHBondContact OD1-N 2.98Å; D1731-L1733 VanDerWaalsContact C-N 3.35Å; D1731-N1734 PolarHBondContact O-N 3.24Å; D1731-K1735 WeakPolarHBondContact O-CD 3.36Å; D1731-K1735 VanDerWaalsContact O-CE 3.31Å; D1731-K1735 WeakPolarHBondContact O-CE 3.5Å; D1731-K1735 WeakPolarHBondContact O-CG 3.24Å; D1731-K1735 PolarHBondContact O-N 2.94Å |
| 1732 | D | 86.1 | Confident | 87.1 | Confident | 34 Ų | 34 | 38.6 Ų | 38.6 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.1 | -34.1 | 177.1 | -66.2 | -29.9 | 0 | 0 | 0 | 111.8 | N1729 K1735 C1736 A1940 | N1729-D1732 HydrophobicContact CB-CB 4.32Å; N1729-D1732 PolarHBondContact ND2-OD2 3.02Å; N1729-D1732 PolarHBondContact O-N 2.8Å; D1732-K1735 IonicContact OD1-NZ 3.83Å; D1732-K1735 PolarHBondContact OD1-NZ 3.05Å; D1732-C1736 PolarHBondContact O-N 2.73Å; D1732-C1736 PolarHBondContact O-SG 2.85Å; D1732-A1940 HydrophobicContact CB-CB 4.27Å |
| 1733 | L | 87.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 171.2 | -173.1 | 72.1 | 0 | 0 | 0 | 111.8 | L1728 N1729 L1730 D1731 C1736 H1737 F1842 L1845 V1846 A1940 | L1728-L1733 HydrophobicContact CD1-CD2 4.35Å; L1728-L1733 HydrophobicContact CD2-CD2 4.33Å; N1729-L1733 PolarHBondContact O-N 3.04Å; L1730-L1733 HydrophobicContact CD1-CD2 4.39Å; L1730-L1733 PolarHBondContact O-N 3.14Å; D1731-L1733 VanDerWaalsContact C-N 3.35Å; L1733-C1736 PolarHBondContact O-N 3Å; L1733-H1737 PolarHBondContact O-N 2.74Å; L1733-F1842 HydrophobicContact CD1-CD1 4Å; L1733-F1842 HydrophobicContact CD1-CE1 3.9Å; L1733-L1845 HydrophobicContact CD1-CD1 4.11Å; L1733-L1845 HydrophobicContact CD2-CB 3.95Å; L1733-V1846 HydrophobicContact CD2-CG2 3.69Å; L1733-V1846 HydrophobicContact CG-CG2 4Å; L1733-A1940 HydrophobicContact CB-CB 4.14Å |
| 1734 | N | 87.5 | Confident | 88 | Confident | 33 Ų | 33 | 37.6 Ų | 37.6 | 18% | 0.176 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 176.7 | -74.4 | -37.1 | 0 | 0 | 0 | 111.4 | L1730 D1731 C1736 H1737 D1738 | L1730-N1734 WeakPolarHBondContact O-CB 3.34Å; L1730-N1734 VanDerWaalsContact O-CG 3.24Å; L1730-N1734 PolarHBondContact O-N 2.86Å; L1730-N1734 PolarHBondContact O-ND2 2.83Å; L1730-N1734 VanDerWaalsContact O-ND2 3.12Å; D1731-N1734 PolarHBondContact O-N 3.24Å; N1734-C1736 VanDerWaalsContact C-N 3.27Å; N1734-C1736 PolarHBondContact O-N 2.86Å; N1734-H1737 WeakPolarHBondContact O-CB 3.39Å; N1734-H1737 PolarHBondContact O-N 2.7Å; N1734-D1738 WeakPolarHBondContact O-CB 3.14Å; N1734-D1738 PolarHBondContact O-N 2.76Å |
| 1735 | K | 88.2 | Confident | 88.4 | Confident | 115 Ų | 115 | 41.3 Ų | 41.3 | 50% | 0.5 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.5 | -41.5 | 175 | -70.9 | 162.2 | -147.2 | 162.8 | 0 | 112.2 | D1731 D1732 S1739 | D1731-K1735 WeakPolarHBondContact O-CD 3.36Å; D1731-K1735 VanDerWaalsContact O-CE 3.31Å; D1731-K1735 WeakPolarHBondContact O-CE 3.5Å; D1731-K1735 WeakPolarHBondContact O-CG 3.24Å; D1731-K1735 PolarHBondContact O-N 2.94Å; D1732-K1735 IonicContact OD1-NZ 3.83Å; D1732-K1735 PolarHBondContact OD1-NZ 3.05Å; K1735-S1739 WeakPolarHBondContact O-CB 3.4Å; K1735-S1739 PolarHBondContact O-N 2.71Å; K1735-S1739 PolarHBondContact O-OG 3.17Å |
| 1736 | C | 88.8 | Confident | 88.7 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 9% | 0.088 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.5 | -44.2 | 177.3 | -68.5 | 0 | 0 | 0 | 0 | 112.1 | D1732 L1733 N1734 L1740 F1842 I1935 | D1732-C1736 PolarHBondContact O-N 2.73Å; D1732-C1736 PolarHBondContact O-SG 2.85Å; L1733-C1736 PolarHBondContact O-N 3Å; N1734-C1736 VanDerWaalsContact C-N 3.27Å; N1734-C1736 PolarHBondContact O-N 2.86Å; C1736-L1740 WeakPolarHBondContact O-CG 3.48Å; C1736-L1740 PolarHBondContact O-N 2.99Å; C1736-F1842 HydrophobicContact CB-CE1 3.6Å; C1736-F1842 HydrophobicContact CB-CZ 3.84Å; C1736-I1935 HydrophobicContact CB-CG2 3.69Å |
| 1737 | H | 90 | Very high | 88.9 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 14% | 0.139 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -50.4 | 174.2 | 165.4 | -88.9 | 0 | 0 | 0 | 111.8 | L1733 N1734 S1739 L1740 L1741 F1842 | L1733-H1737 PolarHBondContact O-N 2.74Å; N1734-H1737 WeakPolarHBondContact O-CB 3.39Å; N1734-H1737 PolarHBondContact O-N 2.7Å; H1737-S1739 VanDerWaalsContact C-N 3.31Å; H1737-S1739 PolarHBondContact O-N 3.28Å; H1737-L1740 PolarHBondContact O-N 3.3Å; H1737-L1741 WeakPolarHBondContact O-CB 3.34Å; H1737-L1741 PolarHBondContact O-N 3.44Å; H1737-F1842 HydrophobicContact CB-CD1 3.82Å; H1737-F1842 HydrophobicContact CB-CE1 4.36Å; H1737-F1842 HydrophobicContact CB-CG 4.47Å |
| 1738 | D | 89 | Confident | 89 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 48% | 0.481 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68 | -32.7 | -174.1 | -68.1 | -11.2 | 0 | 0 | 0 | 112.1 | N1734 K1742 | N1734-D1738 WeakPolarHBondContact O-CB 3.14Å; N1734-D1738 PolarHBondContact O-N 2.76Å; D1738-K1742 VanDerWaalsContact O-CB 3.24Å; D1738-K1742 WeakPolarHBondContact O-CB 3.4Å; D1738-K1742 PolarHBondContact O-N 2.68Å |
| 1739 | S | 89 | Confident | 89.2 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.2 | -44 | 173.3 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | K1735 H1737 K1742 A1743 | K1735-S1739 WeakPolarHBondContact O-CB 3.4Å; K1735-S1739 PolarHBondContact O-N 2.71Å; K1735-S1739 PolarHBondContact O-OG 3.17Å; H1737-S1739 VanDerWaalsContact C-N 3.31Å; H1737-S1739 PolarHBondContact O-N 3.28Å; S1739-K1742 PolarHBondContact O-N 3.48Å; S1739-A1743 PolarHBondContact O-N 3.02Å |
| 1740 | L | 89.7 | Confident | 89.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 174.9 | -67.3 | 166 | 0 | 0 | 0 | 111.9 | C1736 H1737 K1742 A1743 C1744 I1834 I1837 L1838 F1842 I1891 I1893 I1935 | C1736-L1740 WeakPolarHBondContact O-CG 3.48Å; C1736-L1740 PolarHBondContact O-N 2.99Å; H1737-L1740 PolarHBondContact O-N 3.3Å; L1740-K1742 VanDerWaalsContact C-N 3.3Å; L1740-K1742 PolarHBondContact O-N 3.41Å; L1740-A1743 PolarHBondContact O-N 3.02Å; L1740-C1744 PolarHBondContact O-N 2.91Å; L1740-I1834 HydrophobicContact CB-CG2 4.08Å; L1740-I1834 HydrophobicContact CD2-CG2 3.93Å; L1740-I1837 HydrophobicContact CD1-CG2 4.22Å; L1740-L1838 HydrophobicContact CB-CD1 4.18Å; L1740-L1838 HydrophobicContact CB-CD2 3.75Å; L1740-L1838 HydrophobicContact CB-CG 3.92Å; L1740-L1838 HydrophobicContact CD1-CD2 4.35Å; L1740-F1842 HydrophobicContact CD1-CD2 3.72Å; L1740-F1842 HydrophobicContact CD1-CE1 4.35Å; L1740-F1842 HydrophobicContact CD1-CE2 3.16Å; L1740-F1842 HydrophobicContact CD1-CG 4.48Å; L1740-F1842 HydrophobicContact CD1-CZ 3.5Å; L1740-F1842 VanDerWaalsContact CD1-CZ 3.5Å; L1740-I1891 HydrophobicContact CD1-CD1 3.94Å; L1740-I1891 HydrophobicContact CD2-CD1 4.2Å; L1740-I1891 HydrophobicContact CD2-CG2 4Å; L1740-I1893 HydrophobicContact CD2-CD1 4.36Å; L1740-I1935 HydrophobicContact CD2-CD1 3.69Å; L1740-I1935 HydrophobicContact CG-CD1 3.85Å |
| 1741 | L | 90.8 | Very high | 89.7 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 32% | 0.319 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.5 | -37.4 | 178 | -175.4 | 64.7 | 0 | 0 | 0 | 111.8 | H1737 K1745 L1838 | H1737-L1741 WeakPolarHBondContact O-CB 3.34Å; H1737-L1741 PolarHBondContact O-N 3.44Å; L1741-K1745 WeakPolarHBondContact O-CG 3.38Å; L1741-K1745 PolarHBondContact O-N 3.42Å; L1741-L1838 HydrophobicContact CD1-CD1 4.5Å |
| 1742 | K | 90.2 | Very high | 90.1 | Very high | 133 Ų | 133 | 43.1 Ų | 43.1 | 58% | 0.578 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64.3 | -44.4 | 172.3 | -179.8 | -174.9 | 174 | -166.8 | 0 | 111.6 | D1738 S1739 L1740 K1745 Q1746 | D1738-K1742 VanDerWaalsContact O-CB 3.24Å; D1738-K1742 WeakPolarHBondContact O-CB 3.4Å; D1738-K1742 PolarHBondContact O-N 2.68Å; S1739-K1742 PolarHBondContact O-N 3.48Å; L1740-K1742 VanDerWaalsContact C-N 3.3Å; L1740-K1742 PolarHBondContact O-N 3.41Å; K1742-K1745 PolarHBondContact O-N 3.1Å; K1742-Q1746 WeakPolarHBondContact O-CG 3.48Å; K1742-Q1746 PolarHBondContact O-N 2.92Å |
| 1743 | A | 90.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1739 L1740 K1745 Q1746 L1747 I1834 I1893 W1895 | S1739-A1743 PolarHBondContact O-N 3.02Å; L1740-A1743 PolarHBondContact O-N 3.02Å; A1743-K1745 PolarHBondContact O-N 3.27Å; A1743-Q1746 PolarHBondContact O-N 3.27Å; A1743-L1747 WeakPolarHBondContact O-CG 3.4Å; A1743-L1747 PolarHBondContact O-N 3.46Å; A1743-I1834 HydrophobicContact CB-CD1 3.89Å; A1743-I1893 HydrophobicContact CB-CD1 3.82Å; A1743-W1895 HydrophobicContact CB-CH2 3.86Å; A1743-W1895 HydrophobicContact CB-CZ2 3.74Å |
| 1744 | C | 91.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.034 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.3 | -49.5 | 172.6 | -91.1 | 0 | 0 | 0 | 0 | 112.1 | L1740 Q1746 L1747 E1748 I1834 | L1740-C1744 PolarHBondContact O-N 2.91Å; C1744-Q1746 VanDerWaalsContact C-N 3.3Å; C1744-Q1746 PolarHBondContact O-N 3.28Å; C1744-L1747 PolarHBondContact O-N 3.22Å; C1744-E1748 VanDerWaalsContact O-CB 3.3Å; C1744-E1748 WeakPolarHBondContact O-CB 3.41Å; C1744-E1748 PolarHBondContact O-N 2.87Å; C1744-I1834 WeakPolarHBondContact SG-CG2 3.01Å |
| 1745 | K | 91.5 | Very high | 90.1 | Very high | 110 Ų | 110 | 45.1 Ų | 45.1 | 48% | 0.478 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.3 | -32.8 | -179.9 | -72 | 173.5 | 180 | 179 | 0 | 113 | L1741 K1742 A1743 S1749 | L1741-K1745 WeakPolarHBondContact O-CG 3.38Å; L1741-K1745 PolarHBondContact O-N 3.42Å; K1742-K1745 PolarHBondContact O-N 3.1Å; A1743-K1745 PolarHBondContact O-N 3.27Å; K1745-S1749 WeakPolarHBondContact O-CB 3.39Å; K1745-S1749 PolarHBondContact O-N 3.3Å; K1745-S1749 VanDerWaalsContact O-N 3.11Å |
| 1746 | Q | 90.5 | Very high | 89.8 | Confident | 68 Ų | 68 | 42.4 Ų | 42.4 | 32% | 0.318 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70 | -46.8 | 174.2 | -73.8 | -179.9 | -51 | 0 | 0 | 112.1 | K1742 A1743 C1744 E1748 S1749 V1750 W1895 | K1742-Q1746 WeakPolarHBondContact O-CG 3.48Å; K1742-Q1746 PolarHBondContact O-N 2.92Å; A1743-Q1746 PolarHBondContact O-N 3.27Å; C1744-Q1746 VanDerWaalsContact C-N 3.3Å; C1744-Q1746 PolarHBondContact O-N 3.28Å; Q1746-E1748 VanDerWaalsContact C-N 3.31Å; Q1746-E1748 PolarHBondContact O-N 2.63Å; Q1746-S1749 PolarHBondContact O-N 3.34Å; Q1746-V1750 PolarHBondContact O-N 2.84Å; Q1746-W1895 HydrophobicContact CB-CH2 4.19Å |
| 1747 | L | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 176.1 | -69 | 170 | 0 | 0 | 0 | 111.8 | A1743 C1744 V1750 A1751 V1827 E1830 W1831 I1834 W1895 L1898 | A1743-L1747 WeakPolarHBondContact O-CG 3.4Å; A1743-L1747 PolarHBondContact O-N 3.46Å; C1744-L1747 PolarHBondContact O-N 3.22Å; L1747-V1750 PolarHBondContact O-N 3.09Å; L1747-A1751 VanDerWaalsContact O-CB 3.26Å; L1747-A1751 WeakPolarHBondContact O-CB 3.26Å; L1747-A1751 PolarHBondContact O-N 3.42Å; L1747-V1827 HydrophobicContact CB-CG1 4.09Å; L1747-V1827 HydrophobicContact CD2-CG1 3.95Å; L1747-V1827 VanDerWaalsContact O-CG1 3.27Å; L1747-V1827 WeakPolarHBondContact O-CG1 3.43Å; L1747-E1830 HydrophobicContact CD1-CB 4.18Å; L1747-E1830 HydrophobicContact CD1-CG 4.28Å; L1747-W1831 HydrophobicContact CB-CB 4.17Å; L1747-W1831 HydrophobicContact CD1-CB 4.24Å; L1747-I1834 HydrophobicContact CD1-CD1 3.79Å; L1747-W1895 HydrophobicContact CD1-CZ3 4.49Å; L1747-W1895 HydrophobicContact CD2-CE3 4.21Å; L1747-W1895 HydrophobicContact CD2-CH2 4.45Å; L1747-W1895 HydrophobicContact CD2-CZ3 3.57Å; L1747-W1895 HydrophobicContact CG-CH2 4.17Å; L1747-W1895 HydrophobicContact CG-CZ3 3.76Å; L1747-L1898 HydrophobicContact CD2-CD1 3.45Å; L1747-L1898 VanDerWaalsContact CD2-CD1 3.45Å |
| 1748 | E | 92.4 | Very high | 89.5 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 176 | -171.7 | -178.9 | 166.6 | 0 | 0 | 111.8 | C1744 Q1746 V1750 A1751 Y1752 | C1744-E1748 VanDerWaalsContact O-CB 3.3Å; C1744-E1748 WeakPolarHBondContact O-CB 3.41Å; C1744-E1748 PolarHBondContact O-N 2.87Å; Q1746-E1748 VanDerWaalsContact C-N 3.31Å; Q1746-E1748 PolarHBondContact O-N 2.63Å; E1748-V1750 VanDerWaalsContact C-N 3.34Å; E1748-V1750 PolarHBondContact O-N 3.01Å; E1748-A1751 PolarHBondContact O-N 2.96Å; E1748-Y1752 HydrophobicContact CG-CD2 4.24Å; E1748-Y1752 HydrophobicContact CG-CE1 3.93Å; E1748-Y1752 HydrophobicContact CG-CE2 3.5Å; E1748-Y1752 VanDerWaalsContact CG-OH 3.3Å; E1748-Y1752 WeakPolarHBondContact CG-OH 3.34Å; E1748-Y1752 VanDerWaalsContact O-CG 3.28Å; E1748-Y1752 PolarHBondContact O-N 2.96Å; E1748-Y1752 WeakPolarHBondContact OE1-CE2 3.39Å; E1748-Y1752 VanDerWaalsContact OE1-CZ 3.31Å; E1748-Y1752 PolarHBondContact OE1-OH 3.12Å |
| 1749 | S | 91.6 | Very high | 89.6 | Confident | 56 Ų | 56 | 45 Ų | 45 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 113.5 | K1745 Q1746 R1753 | K1745-S1749 WeakPolarHBondContact O-CB 3.39Å; K1745-S1749 PolarHBondContact O-N 3.3Å; K1745-S1749 VanDerWaalsContact O-N 3.11Å; Q1746-S1749 PolarHBondContact O-N 3.34Å; S1749-R1753 PolarHBondContact O-NE 3.06Å; S1749-R1753 PolarHBondContact OG-NH2 3.3Å |
| 1750 | V | 90.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.6 | -43.2 | 174.9 | 165.5 | 0 | 0 | 0 | 0 | 110.9 | Q1746 L1747 E1748 Y1752 R1753 L1754 V1827 I1924 L1925 L1928 | Q1746-V1750 PolarHBondContact O-N 2.84Å; L1747-V1750 PolarHBondContact O-N 3.09Å; E1748-V1750 VanDerWaalsContact C-N 3.34Å; E1748-V1750 PolarHBondContact O-N 3.01Å; V1750-Y1752 PolarHBondContact O-N 3.01Å; V1750-R1753 PolarHBondContact O-N 3.25Å; V1750-R1753 VanDerWaalsContact O-N 3.15Å; V1750-L1754 HydrophobicContact CG1-CD1 3.74Å; V1750-L1754 HydrophobicContact CG1-CG 4.06Å; V1750-L1754 WeakPolarHBondContact O-CG 3.28Å; V1750-L1754 PolarHBondContact O-N 3.04Å; V1750-V1827 HydrophobicContact CG1-CG1 4.44Å; V1750-V1827 HydrophobicContact CG1-CG2 4.33Å; V1750-I1924 HydrophobicContact CG1-CG2 4.3Å; V1750-L1925 HydrophobicContact CG1-CD2 4.24Å; V1750-L1928 HydrophobicContact CB-CD2 4.36Å; V1750-L1928 HydrophobicContact CG1-CD1 4.39Å; V1750-L1928 HydrophobicContact CG2-CD2 3.67Å; V1750-L1928 HydrophobicContact CG2-CG 4.08Å |
| 1751 | A | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1747 E1748 R1753 L1754 A1755 F1759 M1761 L1824 V1827 | L1747-A1751 VanDerWaalsContact O-CB 3.26Å; L1747-A1751 WeakPolarHBondContact O-CB 3.26Å; L1747-A1751 PolarHBondContact O-N 3.42Å; E1748-A1751 PolarHBondContact O-N 2.96Å; A1751-R1753 PolarHBondContact O-N 3.26Å; A1751-L1754 PolarHBondContact O-N 3.23Å; A1751-A1755 VanDerWaalsContact O-CB 3.24Å; A1751-A1755 WeakPolarHBondContact O-CB 3.45Å; A1751-A1755 PolarHBondContact O-N 3.08Å; A1751-F1759 HydrophobicContact CB-CZ 4.33Å; A1751-M1761 HydrophobicContact CB-CE 3.37Å; A1751-M1761 HydrophobicContact CB-SD 4.13Å; A1751-L1824 HydrophobicContact CB-CD1 3.63Å; A1751-V1827 HydrophobicContact CB-CG1 3.95Å |
| 1752 | Y | 92.8 | Very high | 88.7 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 23% | 0.227 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65 | -24.7 | 177.9 | -64.5 | -12.1 | 0 | 0 | 0 | 113 | E1748 V1750 G1756 Q1757 P1758 F1759 M1761 | E1748-Y1752 HydrophobicContact CG-CD2 4.24Å; E1748-Y1752 HydrophobicContact CG-CE1 3.93Å; E1748-Y1752 HydrophobicContact CG-CE2 3.5Å; E1748-Y1752 VanDerWaalsContact CG-OH 3.3Å; E1748-Y1752 WeakPolarHBondContact CG-OH 3.34Å; E1748-Y1752 VanDerWaalsContact O-CG 3.28Å; E1748-Y1752 PolarHBondContact O-N 2.96Å; E1748-Y1752 WeakPolarHBondContact OE1-CE2 3.39Å; E1748-Y1752 VanDerWaalsContact OE1-CZ 3.31Å; E1748-Y1752 PolarHBondContact OE1-OH 3.12Å; V1750-Y1752 PolarHBondContact O-N 3.01Å; Y1752-G1756 CarbonylContact O-C 3.34Å; Y1752-G1756 WeakPolarHBondContact O-CA 3.18Å; Y1752-G1756 PolarHBondContact O-N 3.37Å; Y1752-Q1757 PolarHBondContact O-N 3.16Å; Y1752-Q1757 VanDerWaalsContact O-N 3.11Å; Y1752-P1758 HydrophobicContact CD1-CB 4.35Å; Y1752-P1758 HydrophobicContact CD2-CB 3.88Å; Y1752-P1758 HydrophobicContact CE1-CB 4.47Å; Y1752-P1758 HydrophobicContact CE2-CB 4.02Å; Y1752-P1758 HydrophobicContact CG-CB 4.07Å; Y1752-F1759 HydrophobicContact CD1-CD1 4.06Å; Y1752-F1759 HydrophobicContact CD1-CE1 4.05Å; Y1752-F1759 HydrophobicContact CE1-CD1 4.32Å; Y1752-F1759 HydrophobicContact CE1-CE1 4.45Å; Y1752-F1759 WeakPolarHBondContact CE1-O 3.45Å; Y1752-F1759 PolarHBondContact OH-O 2.93Å; Y1752-M1761 HydrophobicContact CE1-CG 4.27Å |
| 1753 | R | 87.9 | Confident | 88.3 | Confident | 92 Ų | 92 | 41.8 Ų | 41.8 | 35% | 0.347 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -91.6 | -35.8 | 176.2 | -68.8 | 179.5 | -70 | 157.9 | -3.5 | 113.6 | S1749 V1750 A1751 A1755 G1756 I1924 E1927 | S1749-R1753 PolarHBondContact O-NE 3.06Å; S1749-R1753 PolarHBondContact OG-NH2 3.3Å; V1750-R1753 PolarHBondContact O-N 3.25Å; V1750-R1753 VanDerWaalsContact O-N 3.15Å; A1751-R1753 PolarHBondContact O-N 3.26Å; R1753-A1755 PolarHBondContact O-N 3.15Å; R1753-G1756 PolarHBondContact O-N 3.12Å; R1753-I1924 HydrophobicContact CB-CD1 4.4Å; R1753-I1924 HydrophobicContact CB-CG2 3.85Å; R1753-E1927 IonicContact CZ-OE1 2.7Å; R1753-E1927 IonicContact CZ-OE2 2.82Å; R1753-E1927 VanDerWaalsContact CZ-OE2 3.23Å; R1753-E1927 IonicContact NH1-OE1 3.05Å; R1753-E1927 PolarHBondContact NH1-OE1 3.37Å; R1753-E1927 IonicContact NH1-OE2 3.6Å; R1753-E1927 PolarHBondContact NH1-OE2 3.33Å; R1753-E1927 IonicContact NH2-OE1 2.67Å; R1753-E1927 IonicContact NH2-OE2 3.25Å; R1753-E1927 PolarHBondContact NH2-OE2 3.45Å |
| 1754 | L | 87.8 | Confident | 87.8 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -26.1 | 168.3 | -69.1 | 179.1 | 0 | 0 | 0 | 112.3 | V1750 A1751 H1822 P1823 L1824 V1827 F1921 I1924 L1925 | V1750-L1754 HydrophobicContact CG1-CD1 3.74Å; V1750-L1754 HydrophobicContact CG1-CG 4.06Å; V1750-L1754 WeakPolarHBondContact O-CG 3.28Å; V1750-L1754 PolarHBondContact O-N 3.04Å; A1751-L1754 PolarHBondContact O-N 3.23Å; L1754-H1822 PolarHBondContact O-CE1 2.92Å; L1754-P1823 HydrophobicContact CD1-CB 4.27Å; L1754-P1823 HydrophobicContact CD1-CG 4.26Å; L1754-P1823 HydrophobicContact CD2-CG 4.09Å; L1754-L1824 HydrophobicContact CB-CB 4.3Å; L1754-L1824 HydrophobicContact CB-CD1 4.18Å; L1754-V1827 HydrophobicContact CD1-CG2 3.8Å; L1754-F1921 HydrophobicContact CD2-CB 4.01Å; L1754-F1921 HydrophobicContact CD2-CD1 3.73Å; L1754-F1921 HydrophobicContact CD2-CG 4.29Å; L1754-I1924 HydrophobicContact CD2-CB 4.03Å; L1754-I1924 HydrophobicContact CD2-CD1 4.27Å; L1754-I1924 HydrophobicContact CD2-CG2 3.88Å; L1754-I1924 HydrophobicContact CG-CG2 4.01Å; L1754-L1925 HydrophobicContact CD1-CD2 3.96Å; L1754-L1925 HydrophobicContact CD2-CG 4.39Å |
| 1755 | A | 86.8 | Confident | 87.1 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.7 | -61.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1751 R1753 F1759 V1770 W1774 L1824 | A1751-A1755 VanDerWaalsContact O-CB 3.24Å; A1751-A1755 WeakPolarHBondContact O-CB 3.45Å; A1751-A1755 PolarHBondContact O-N 3.08Å; R1753-A1755 PolarHBondContact O-N 3.15Å; A1755-F1759 HydrophobicContact CB-CD1 4.08Å; A1755-F1759 HydrophobicContact CB-CE1 3.77Å; A1755-V1770 HydrophobicContact CB-CG1 4.36Å; A1755-W1774 VanDerWaalsContact C-CZ3 3.48Å; A1755-W1774 HydrophobicContact CB-CZ3 3.89Å; A1755-W1774 WeakPolarHBondContact O-CH2 3.49Å; A1755-W1774 WeakPolarHBondContact O-CZ3 3.36Å; A1755-L1824 HydrophobicContact CB-CD2 4.23Å |
| 1756 | G | 81.9 | Confident | 86.7 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102 | 6.1 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1752 R1753 | Y1752-G1756 CarbonylContact O-C 3.34Å; Y1752-G1756 WeakPolarHBondContact O-CA 3.18Å; Y1752-G1756 PolarHBondContact O-N 3.37Å; R1753-G1756 PolarHBondContact O-N 3.12Å |
| 1757 | Q | 84.4 | Confident | 86.6 | Confident | 78 Ų | 78 | 43.9 Ų | 43.9 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -153.2 | 150.8 | 170.5 | 69.6 | -173.6 | -48.3 | 0 | 0 | 109.8 | Y1752 W1774 | Y1752-Q1757 PolarHBondContact O-N 3.16Å; Y1752-Q1757 VanDerWaalsContact O-N 3.11Å; Q1757-W1774 HydrophobicContact CB-CH2 4.14Å; Q1757-W1774 HydrophobicContact CG-CH2 3.69Å; Q1757-W1774 HydrophobicContact CG-CZ2 4.22Å; Q1757-W1774 HydrophobicContact CG-CZ3 3.9Å; Q1757-W1774 VanDerWaalsContact NE2-CH2 3.31Å; Q1757-W1774 VanDerWaalsContact NE2-CZ2 3.26Å; Q1757-W1774 VanDerWaalsContact NE2-CZ3 3.29Å |
| 1758 | P | 88.2 | Confident | 86.2 | Confident | 98 Ų | 98 | 44.2 Ų | 44.2 | 64% | 0.636 | 25% | 0.25 | S | C | * | . | trans | -70.4 | 144.1 | 169.8 | 30.6 | -34.4 | 0 | 0 | 0 | 111.3 | Y1752 | Y1752-P1758 HydrophobicContact CD1-CB 4.35Å; Y1752-P1758 HydrophobicContact CD2-CB 3.88Å; Y1752-P1758 HydrophobicContact CE1-CB 4.47Å; Y1752-P1758 HydrophobicContact CE2-CB 4.02Å; Y1752-P1758 HydrophobicContact CG-CB 4.07Å | ||
| 1759 | F | 90.6 | Very high | 85.8 | Confident | 12 Ų | 12 | 46 Ų | 46 | 5% | 0.053 | 26% | 0.256 | C | S | . | . | trans | -151.8 | 150 | 177.4 | 64.4 | -89.2 | 0 | 0 | 0 | 111.1 | A1751 Y1752 A1755 M1761 I1767 V1770 L1824 I1828 | A1751-F1759 HydrophobicContact CB-CZ 4.33Å; Y1752-F1759 HydrophobicContact CD1-CD1 4.06Å; Y1752-F1759 HydrophobicContact CD1-CE1 4.05Å; Y1752-F1759 HydrophobicContact CE1-CD1 4.32Å; Y1752-F1759 HydrophobicContact CE1-CE1 4.45Å; Y1752-F1759 WeakPolarHBondContact CE1-O 3.45Å; Y1752-F1759 PolarHBondContact OH-O 2.93Å; A1755-F1759 HydrophobicContact CB-CD1 4.08Å; A1755-F1759 HydrophobicContact CB-CE1 3.77Å; F1759-M1761 HydrophobicContact CE2-CG 4.1Å; F1759-M1761 HydrophobicContact CE2-SD 3.46Å; F1759-M1761 WeakPolarHBondContact CE2-SD 3.29Å; F1759-M1761 HydrophobicContact CZ-CG 4.49Å; F1759-M1761 HydrophobicContact CZ-SD 3.59Å; F1759-M1761 VanDerWaalsContact CZ-SD 3.59Å; F1759-M1761 PolarHBondContact O-N 2.91Å; F1759-M1761 VanDerWaalsContact O-N 3.12Å; F1759-I1767 HydrophobicContact CD2-CG1 4.13Å; F1759-I1767 HydrophobicContact CE2-CG1 3.76Å; F1759-V1770 HydrophobicContact CB-CG2 4.06Å; F1759-V1770 HydrophobicContact CD1-CG2 4.08Å; F1759-V1770 HydrophobicContact CD2-CG2 4.31Å; F1759-V1770 HydrophobicContact CE1-CG1 4.44Å; F1759-V1770 HydrophobicContact CG-CG2 3.88Å; F1759-L1824 HydrophobicContact CE1-CD2 4.45Å; F1759-L1824 HydrophobicContact CZ-CD1 4.24Å; F1759-L1824 HydrophobicContact CZ-CD2 4.41Å; F1759-I1828 HydrophobicContact CE2-CD1 4.29Å; F1759-I1828 HydrophobicContact CZ-CD1 4.13Å; F1759-I1828 HydrophobicContact CZ-CG1 4.43Å | ||
| 1760 | P | 85.6 | Confident | 85.6 | Confident | 64 Ų | 64 | 43.7 Ų | 43.7 | 42% | 0.416 | 24% | 0.24 | S | C | . | . | trans | -65.7 | 114.3 | 179.7 | -18.6 | 31.6 | 0 | 0 | 0 | 112 | D1762 S1763 E1766 | P1760-D1762 VanDerWaalsContact C-N 3.34Å; P1760-D1762 VanDerWaalsContact C-OD1 3.31Å; P1760-D1762 WeakPolarHBondContact CA-OD1 3.38Å; P1760-D1762 WeakPolarHBondContact CB-OD1 3.24Å; P1760-S1763 PolarHBondContact O-N 2.85Å; P1760-E1766 HydrophobicContact CG-CG 4.34Å | ||
| 1761 | M | 84.6 | Confident | 85.4 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -73.4 | -23.9 | -178.2 | -78.7 | -75.7 | -112.2 | 0 | 0 | 113.8 | A1751 Y1752 F1759 I1767 I1828 W1831 | A1751-M1761 HydrophobicContact CB-CE 3.37Å; A1751-M1761 HydrophobicContact CB-SD 4.13Å; Y1752-M1761 HydrophobicContact CE1-CG 4.27Å; F1759-M1761 HydrophobicContact CE2-CG 4.1Å; F1759-M1761 HydrophobicContact CE2-SD 3.46Å; F1759-M1761 WeakPolarHBondContact CE2-SD 3.29Å; F1759-M1761 HydrophobicContact CZ-CG 4.49Å; F1759-M1761 HydrophobicContact CZ-SD 3.59Å; F1759-M1761 VanDerWaalsContact CZ-SD 3.59Å; F1759-M1761 PolarHBondContact O-N 2.91Å; F1759-M1761 VanDerWaalsContact O-N 3.12Å; M1761-I1767 WeakPolarHBondContact O-CD1 3.34Å; M1761-I1828 HydrophobicContact CE-CG1 4.21Å; M1761-I1828 HydrophobicContact SD-CG1 3.84Å; M1761-W1831 HydrophobicContact CB-CD2 3.73Å; M1761-W1831 HydrophobicContact CB-CE3 3.66Å; M1761-W1831 HydrophobicContact CB-CH2 3.68Å; M1761-W1831 HydrophobicContact CB-CZ2 3.7Å; M1761-W1831 HydrophobicContact CB-CZ3 3.64Å; M1761-W1831 HydrophobicContact CE-CB 3.71Å; M1761-W1831 HydrophobicContact CE-CD2 4.22Å; M1761-W1831 HydrophobicContact CE-CG 3.68Å; M1761-W1831 HydrophobicContact CG-CD2 4.26Å |
| 1762 | D | 79.9 | Confident | 85.2 | Confident | 71 Ų | 71 | 44 Ų | 44 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -65.4 | -41.2 | 169.7 | 64 | -33.1 | 0 | 0 | 0 | 111.7 | P1760 P1764 W1831 | P1760-D1762 VanDerWaalsContact C-N 3.34Å; P1760-D1762 VanDerWaalsContact C-OD1 3.31Å; P1760-D1762 WeakPolarHBondContact CA-OD1 3.38Å; P1760-D1762 WeakPolarHBondContact CB-OD1 3.24Å; D1762-P1764 WeakPolarHBondContact O-CD 3.5Å; D1762-W1831 HydrophobicContact CB-CH2 4.49Å |
| 1763 | S | 82.4 | Confident | 84.7 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | trans | -77.4 | 110.4 | -169.7 | -177.5 | 0 | 0 | 0 | 0 | 113.7 | P1760 K1765 E1766 I1767 | P1760-S1763 PolarHBondContact O-N 2.85Å; S1763-K1765 PolarHBondContact O-N 3.18Å; S1763-E1766 PolarHBondContact O-N 3Å; S1763-E1766 PolarHBondContact OG-N 2.96Å; S1763-I1767 PolarHBondContact O-N 2.89Å | ||
| 1764 | P | 78.2 | Confident | 84.4 | Confident | 69 Ų | 69 | 49.4 Ų | 49.4 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.4 | -20.4 | 178.4 | -17.5 | 33.6 | 0 | 0 | 0 | 112.4 | D1762 S1768 | D1762-P1764 WeakPolarHBondContact O-CD 3.5Å; P1764-S1768 WeakPolarHBondContact O-CB 3.44Å; P1764-S1768 PolarHBondContact O-N 2.7Å; P1764-S1768 VanDerWaalsContact O-N 3.16Å; P1764-S1768 PolarHBondContact O-OG 3.08Å |
| 1765 | K | 76.8 | Confident | 84.1 | Confident | 106 Ų | 106 | 51.1 Ų | 51.1 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.3 | -47.7 | 175.5 | -73.7 | -177 | -177.6 | 174.2 | 0 | 111.5 | D742 S1763 S1768 K1769 | D742-K1765 IonicContact OD1-NZ 2.78Å; S1763-K1765 PolarHBondContact O-N 3.18Å; K1765-S1768 WeakPolarHBondContact O-CB 3.12Å; K1765-S1768 PolarHBondContact O-N 3.43Å; K1765-S1768 VanDerWaalsContact O-N 3.17Å; K1765-K1769 PolarHBondContact O-N 3.2Å |
| 1766 | E | 84.8 | Confident | 83.9 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.5 | -41.4 | -178.6 | -59.3 | -43.6 | 108.9 | 0 | 0 | 110.6 | P1760 S1763 S1768 K1769 V1770 | P1760-E1766 HydrophobicContact CG-CG 4.34Å; S1763-E1766 PolarHBondContact O-N 3Å; S1763-E1766 PolarHBondContact OG-N 2.96Å; E1766-S1768 VanDerWaalsContact C-N 3.27Å; E1766-S1768 PolarHBondContact O-N 3.33Å; E1766-K1769 WeakPolarHBondContact O-CA 3.5Å; E1766-K1769 WeakPolarHBondContact O-CB 3.16Å; E1766-K1769 PolarHBondContact O-N 2.92Å; E1766-K1769 VanDerWaalsContact OE1-CE 3.3Å; E1766-K1769 WeakPolarHBondContact OE1-CE 3.37Å; E1766-K1769 IonicContact OE1-NZ 3.85Å; E1766-K1769 PolarHBondContact OE1-NZ 2.9Å; E1766-K1769 VanDerWaalsContact OE2-CD 3.28Å; E1766-K1769 WeakPolarHBondContact OE2-CD 3.04Å; E1766-K1769 WeakPolarHBondContact OE2-CE 3.36Å; E1766-K1769 IonicContact OE2-NZ 2.79Å; E1766-K1769 PolarHBondContact OE2-NZ 2.75Å; E1766-V1770 WeakPolarHBondContact O-CG2 3.34Å; E1766-V1770 PolarHBondContact O-N 2.92Å |
| 1767 | I | 87.3 | Confident | 83.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.9 | -43 | 169.7 | -70.9 | 166 | 0 | 0 | 0 | 111.6 | F1759 M1761 S1763 K1769 V1770 L1771 A1810 L1815 I1828 | F1759-I1767 HydrophobicContact CD2-CG1 4.13Å; F1759-I1767 HydrophobicContact CE2-CG1 3.76Å; M1761-I1767 WeakPolarHBondContact O-CD1 3.34Å; S1763-I1767 PolarHBondContact O-N 2.89Å; I1767-K1769 VanDerWaalsContact C-N 3.33Å; I1767-K1769 PolarHBondContact O-N 3.24Å; I1767-V1770 PolarHBondContact O-N 2.79Å; I1767-L1771 HydrophobicContact CG2-CD1 3.62Å; I1767-L1771 HydrophobicContact CG2-CG 4.25Å; I1767-L1771 WeakPolarHBondContact O-CB 3.37Å; I1767-L1771 VanDerWaalsContact O-CG 3.28Å; I1767-L1771 WeakPolarHBondContact O-CG 3.34Å; I1767-L1771 PolarHBondContact O-N 3.38Å; I1767-A1810 HydrophobicContact CB-CB 4.29Å; I1767-A1810 HydrophobicContact CG2-CB 3.54Å; I1767-L1815 HydrophobicContact CG2-CD2 4.36Å; I1767-I1828 HydrophobicContact CD1-CD1 4.5Å; I1767-I1828 HydrophobicContact CD1-CG2 3.72Å; I1767-I1828 HydrophobicContact CG1-CD1 4.19Å; I1767-I1828 HydrophobicContact CG1-CG2 4.48Å; I1767-I1828 HydrophobicContact CG2-CD1 3.87Å; I1767-I1828 HydrophobicContact CG2-CG2 4.35Å |
| 1768 | S | 83.9 | Confident | 83.2 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -33.8 | 177.1 | -55 | 0 | 0 | 0 | 0 | 112.4 | P1764 K1765 E1766 F1772 P1808 A1810 | P1764-S1768 WeakPolarHBondContact O-CB 3.44Å; P1764-S1768 PolarHBondContact O-N 2.7Å; P1764-S1768 VanDerWaalsContact O-N 3.16Å; P1764-S1768 PolarHBondContact O-OG 3.08Å; K1765-S1768 WeakPolarHBondContact O-CB 3.12Å; K1765-S1768 PolarHBondContact O-N 3.43Å; K1765-S1768 VanDerWaalsContact O-N 3.17Å; E1766-S1768 VanDerWaalsContact C-N 3.27Å; E1766-S1768 PolarHBondContact O-N 3.33Å; S1768-F1772 WeakPolarHBondContact O-CB 3.44Å; S1768-F1772 WeakPolarHBondContact O-CD2 3.09Å; S1768-F1772 PolarHBondContact O-N 2.99Å; S1768-F1772 VanDerWaalsContact O-N 3.12Å; S1768-P1808 PolarHBondContact OG-O 3.35Å; S1768-A1810 WeakPolarHBondContact OG-CB 3.48Å; S1768-A1810 PolarHBondContact OG-N 3.34Å |
| 1769 | K | 84.6 | Confident | 82.3 | Confident | 89 Ų | 89 | 55.3 Ų | 55.3 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.5 | -49.5 | 171.7 | -65.6 | 172.2 | -173.7 | 166.1 | 0 | 111.3 | K1765 E1766 I1767 L1771 K1773 W1774 L1807 | K1765-K1769 PolarHBondContact O-N 3.2Å; E1766-K1769 WeakPolarHBondContact O-CA 3.5Å; E1766-K1769 WeakPolarHBondContact O-CB 3.16Å; E1766-K1769 PolarHBondContact O-N 2.92Å; E1766-K1769 VanDerWaalsContact OE1-CE 3.3Å; E1766-K1769 WeakPolarHBondContact OE1-CE 3.37Å; E1766-K1769 IonicContact OE1-NZ 3.85Å; E1766-K1769 PolarHBondContact OE1-NZ 2.9Å; E1766-K1769 VanDerWaalsContact OE2-CD 3.28Å; E1766-K1769 WeakPolarHBondContact OE2-CD 3.04Å; E1766-K1769 WeakPolarHBondContact OE2-CE 3.36Å; E1766-K1769 IonicContact OE2-NZ 2.79Å; E1766-K1769 PolarHBondContact OE2-NZ 2.75Å; I1767-K1769 VanDerWaalsContact C-N 3.33Å; I1767-K1769 PolarHBondContact O-N 3.24Å; K1769-L1771 VanDerWaalsContact C-N 3.35Å; K1769-L1771 PolarHBondContact O-N 3.2Å; K1769-K1773 WeakPolarHBondContact O-CA 3.3Å; K1769-K1773 VanDerWaalsContact O-CB 3.25Å; K1769-K1773 WeakPolarHBondContact O-CB 3.3Å; K1769-K1773 PolarHBondContact O-N 3.28Å; K1769-W1774 PolarHBondContact O-N 3.49Å; K1769-L1807 HydrophobicContact CG-CD1 4.36Å |
| 1770 | V | 87.1 | Confident | 80.9 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -56.5 | -49.2 | -179.1 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | A1755 F1759 E1766 I1767 W1774 L1775 L1824 | A1755-V1770 HydrophobicContact CB-CG1 4.36Å; F1759-V1770 HydrophobicContact CB-CG2 4.06Å; F1759-V1770 HydrophobicContact CD1-CG2 4.08Å; F1759-V1770 HydrophobicContact CD2-CG2 4.31Å; F1759-V1770 HydrophobicContact CE1-CG1 4.44Å; F1759-V1770 HydrophobicContact CG-CG2 3.88Å; E1766-V1770 WeakPolarHBondContact O-CG2 3.34Å; E1766-V1770 PolarHBondContact O-N 2.92Å; I1767-V1770 PolarHBondContact O-N 2.79Å; V1770-W1774 HydrophobicContact CG1-CE3 4.26Å; V1770-L1775 HydrophobicContact CG1-CD1 4.11Å; V1770-L1775 HydrophobicContact CG1-CG 4.49Å; V1770-L1775 WeakPolarHBondContact O-CB 3.28Å; V1770-L1775 PolarHBondContact O-N 3.24Å; V1770-L1824 HydrophobicContact CG1-CD2 3.8Å |
| 1771 | L | 87.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -68.9 | -53.4 | -178.6 | -63.8 | 171.2 | 0 | 0 | 0 | 113.1 | I1767 K1769 L1775 H1776 L1777 A1810 L1815 L1818 L1824 P1825 | I1767-L1771 HydrophobicContact CG2-CD1 3.62Å; I1767-L1771 HydrophobicContact CG2-CG 4.25Å; I1767-L1771 WeakPolarHBondContact O-CB 3.37Å; I1767-L1771 VanDerWaalsContact O-CG 3.28Å; I1767-L1771 WeakPolarHBondContact O-CG 3.34Å; I1767-L1771 PolarHBondContact O-N 3.38Å; K1769-L1771 VanDerWaalsContact C-N 3.35Å; K1769-L1771 PolarHBondContact O-N 3.2Å; L1771-L1775 HydrophobicContact CD2-CD1 4.35Å; L1771-L1775 CarbonylContact O-C 3.59Å; L1771-H1776 PolarHBondContact O-N 2.91Å; L1771-L1777 HydrophobicContact CB-CD1 4.2Å; L1771-L1777 HydrophobicContact CD2-CD1 3.71Å; L1771-L1777 WeakPolarHBondContact O-CB 3.22Å; L1771-L1777 PolarHBondContact O-N 3.14Å; L1771-A1810 HydrophobicContact CD1-CB 4.47Å; L1771-L1815 HydrophobicContact CD1-CD2 3.38Å; L1771-L1818 HydrophobicContact CD1-CD1 4.24Å; L1771-L1824 HydrophobicContact CD2-CD2 4.36Å; L1771-P1825 HydrophobicContact CD2-CG 3.85Å |
| 1772 | F | 86.9 | Confident | 77.5 | Confident | 9 Ų | 9 | 60 Ų | 60 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -95.5 | -26.3 | -167.5 | -56.3 | -61.2 | 0 | 0 | 0 | 114.9 | S1768 L1777 Q1779 L1807 P1808 L1814 L1818 | S1768-F1772 WeakPolarHBondContact O-CB 3.44Å; S1768-F1772 WeakPolarHBondContact O-CD2 3.09Å; S1768-F1772 PolarHBondContact O-N 2.99Å; S1768-F1772 VanDerWaalsContact O-N 3.12Å; F1772-L1777 WeakPolarHBondContact CD1-O 3.27Å; F1772-Q1779 HydrophobicContact CB-CG 4.19Å; F1772-Q1779 HydrophobicContact CD1-CG 3.87Å; F1772-Q1779 HydrophobicContact CG-CG 4.12Å; F1772-L1807 HydrophobicContact CB-CD2 3.98Å; F1772-P1808 HydrophobicContact CD2-CG 4Å; F1772-P1808 HydrophobicContact CE1-CG 4.23Å; F1772-P1808 HydrophobicContact CE2-CG 3.67Å; F1772-P1808 WeakPolarHBondContact CE2-O 3.32Å; F1772-P1808 HydrophobicContact CG-CG 4.46Å; F1772-P1808 HydrophobicContact CZ-CG 3.8Å; F1772-L1814 HydrophobicContact CE2-CD2 4.05Å; F1772-L1814 HydrophobicContact CZ-CD2 3.56Å; F1772-L1814 HydrophobicContact CZ-CG 4.03Å; F1772-L1818 HydrophobicContact CE1-CD1 3.61Å; F1772-L1818 HydrophobicContact CE1-CD2 4.22Å; F1772-L1818 HydrophobicContact CZ-CD1 3.6Å |
| 1773 | K | 81.7 | Confident | 75.6 | Confident | 151 Ų | 151 | 60.6 Ų | 60.6 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -97.3 | -27.4 | -178.8 | -169.9 | -176.3 | 173.5 | -170.5 | 0 | 112.7 | K1769 H1776 L1807 | K1769-K1773 WeakPolarHBondContact O-CA 3.3Å; K1769-K1773 VanDerWaalsContact O-CB 3.25Å; K1769-K1773 WeakPolarHBondContact O-CB 3.3Å; K1769-K1773 PolarHBondContact O-N 3.28Å; K1773-H1776 PolarHBondContact O-CE1 3.48Å; K1773-H1776 PolarHBondContact O-ND1 3.41Å; K1773-L1807 HydrophobicContact CB-CD1 4.34Å |
| 1774 | W | 82.2 | Confident | 73.5 | Confident | 114 Ų | 114 | 62.5 Ų | 62.5 | 43% | 0.432 | 31% | 0.314 | S | S | . | . | I | π-helix | trans | -121.1 | -45.6 | -167 | -170.4 | 67.7 | 0 | 0 | 0 | 113.9 | A1755 Q1757 K1769 V1770 H1776 | A1755-W1774 VanDerWaalsContact C-CZ3 3.48Å; A1755-W1774 HydrophobicContact CB-CZ3 3.89Å; A1755-W1774 WeakPolarHBondContact O-CH2 3.49Å; A1755-W1774 WeakPolarHBondContact O-CZ3 3.36Å; Q1757-W1774 HydrophobicContact CB-CH2 4.14Å; Q1757-W1774 HydrophobicContact CG-CH2 3.69Å; Q1757-W1774 HydrophobicContact CG-CZ2 4.22Å; Q1757-W1774 HydrophobicContact CG-CZ3 3.9Å; Q1757-W1774 VanDerWaalsContact NE2-CH2 3.31Å; Q1757-W1774 VanDerWaalsContact NE2-CZ2 3.26Å; Q1757-W1774 VanDerWaalsContact NE2-CZ3 3.29Å; K1769-W1774 PolarHBondContact O-N 3.49Å; V1770-W1774 HydrophobicContact CG1-CE3 4.26Å; W1774-H1776 PolarHBondContact O-CD2 2.93Å; W1774-H1776 VanDerWaalsContact O-CD2 3.24Å; W1774-H1776 PolarHBondContact O-N 2.98Å |
| 1775 | L | 81.8 | Confident | 71.7 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -78 | -1.2 | 163.1 | -65.3 | 173.3 | 0 | 0 | 0 | 112.6 | V1770 L1771 L1777 L1824 | V1770-L1775 HydrophobicContact CG1-CD1 4.11Å; V1770-L1775 HydrophobicContact CG1-CG 4.49Å; V1770-L1775 WeakPolarHBondContact O-CB 3.28Å; V1770-L1775 PolarHBondContact O-N 3.24Å; L1771-L1775 HydrophobicContact CD2-CD1 4.35Å; L1771-L1775 CarbonylContact O-C 3.59Å; L1775-L1777 HydrophobicContact CB-CD1 4.4Å; L1775-L1777 HydrophobicContact CB-CG 4.13Å; L1775-L1777 PolarHBondContact O-N 3.41Å; L1775-L1824 HydrophobicContact CD1-CD2 3.61Å |
| 1776 | H | 81.9 | Confident | 69.8 | Low | 149 Ų | 149 | 61.9 Ų | 61.9 | 69% | 0.69 | 31% | 0.311 | S | S | * | . | trans | 51.4 | 27.8 | 175.8 | -64.4 | -66 | 0 | 0 | 0 | 115.7 | L1771 K1773 W1774 | L1771-H1776 PolarHBondContact O-N 2.91Å; K1773-H1776 PolarHBondContact O-CE1 3.48Å; K1773-H1776 PolarHBondContact O-ND1 3.41Å; W1774-H1776 PolarHBondContact O-CD2 2.93Å; W1774-H1776 VanDerWaalsContact O-CD2 3.24Å; W1774-H1776 PolarHBondContact O-N 2.98Å | ||
| 1777 | L | 79.4 | Confident | 67.6 | Low | 17 Ų | 17 | 63.3 Ų | 63.3 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | trans | -65.1 | 146.2 | -179.9 | -61.5 | 173.9 | 0 | 0 | 0 | 111.1 | L1771 F1772 L1775 L1818 L1821 H1822 | L1771-L1777 HydrophobicContact CB-CD1 4.2Å; L1771-L1777 HydrophobicContact CD2-CD1 3.71Å; L1771-L1777 WeakPolarHBondContact O-CB 3.22Å; L1771-L1777 PolarHBondContact O-N 3.14Å; F1772-L1777 WeakPolarHBondContact CD1-O 3.27Å; L1775-L1777 HydrophobicContact CB-CD1 4.4Å; L1775-L1777 HydrophobicContact CB-CG 4.13Å; L1775-L1777 PolarHBondContact O-N 3.41Å; L1777-L1818 HydrophobicContact CB-CD2 4.3Å; L1777-L1821 HydrophobicContact CD2-CB 4.22Å; L1777-H1822 HydrophobicContact CD1-CB 3.93Å; L1777-H1822 HydrophobicContact CD2-CB 3.99Å | ||
| 1778 | P | 72.1 | Confident | 65 | Low | 70 Ų | 70 | 68.9 Ų | 68.9 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | trans | -65.3 | 138.8 | -175.8 | 26 | -34.5 | 0 | 0 | 0 | 111.8 | I1780 L1821 | P1778-I1780 VanDerWaalsContact C-N 3.27Å; P1778-I1780 HydrophobicContact CG-CG1 4.44Å; P1778-I1780 PolarHBondContact O-N 3.43Å; P1778-L1821 HydrophobicContact CG-CD1 3.42Å; P1778-L1821 VanDerWaalsContact CG-CD1 3.42Å | ||
| 1779 | Q | 69.4 | Low | 62.7 | Low | 100 Ų | 100 | 71.6 Ų | 71.6 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | trans | -79.1 | 75 | 179.1 | -65.5 | 178.2 | 24.5 | 0 | 0 | 110.6 | F1772 T1781 P1808 | F1772-Q1779 HydrophobicContact CB-CG 4.19Å; F1772-Q1779 HydrophobicContact CD1-CG 3.87Å; F1772-Q1779 HydrophobicContact CG-CG 4.12Å; Q1779-T1781 PolarHBondContact O-N 2.91Å; Q1779-P1808 HydrophobicContact CB-CG 4.26Å; Q1779-P1808 HydrophobicContact CG-CG 4.3Å | ||
| 1780 | I | 61.8 | Low | 60.3 | Low | 61 Ų | 61 | 75.3 Ų | 75.3 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | trans | -64.4 | 93.6 | 175.3 | -54.6 | 176 | 0 | 0 | 0 | 108.6 | P1778 L1814 K1817 L1818 L1821 | P1778-I1780 VanDerWaalsContact C-N 3.27Å; P1778-I1780 HydrophobicContact CG-CG1 4.44Å; P1778-I1780 PolarHBondContact O-N 3.43Å; I1780-L1814 HydrophobicContact CB-CD1 4.23Å; I1780-L1814 WeakPolarHBondContact O-CD1 3.43Å; I1780-K1817 HydrophobicContact CD1-CB 4.23Å; I1780-K1817 HydrophobicContact CG2-CD 4.11Å; I1780-L1818 HydrophobicContact CD1-CD2 3.99Å; I1780-L1818 HydrophobicContact CG1-CD2 4.38Å; I1780-L1821 HydrophobicContact CD1-CD1 4.29Å | ||
| 1781 | T | 50 | Low | 57.7 | Low | 73 Ų | 73 | 79.6 Ų | 79.6 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | trans | -82.3 | 129.8 | 178.6 | 35.3 | 0 | 0 | 0 | 0 | 110.5 | Q1779 | Q1779-T1781 PolarHBondContact O-N 2.91Š| ||
| 1782 | D | 47.1 | Very low | 55.2 | Low | 43 Ų | 43 | 87.6 Ų | 87.6 | 23% | 0.23 | 42% | 0.421 | C | S | . | . | trans | -73.1 | 142.4 | 179.8 | -164.8 | 76.4 | 0 | 0 | 0 | 111.2 | N1784 D1785 L1786 K1817 | D1782-N1784 PolarHBondContact O-N 3.27Å; D1782-N1784 VanDerWaalsContact O-N 3.14Å; D1782-N1784 WeakPolarHBondContact OD2-CB 3.39Å; D1782-N1784 PolarHBondContact OD2-N 3.43Å; D1782-D1785 HydrophobicContact CB-CB 4.32Å; D1782-D1785 WeakPolarHBondContact O-CB 3.34Å; D1782-D1785 PolarHBondContact O-N 3.38Å; D1782-L1786 PolarHBondContact O-N 3.06Å; D1782-K1817 IonicContact OD1-NZ 3.31Å; D1782-K1817 PolarHBondContact OD1-NZ 3.17Å | ||
| 1783 | P | 41.9 | Very low | 52.5 | Low | 85 Ų | 85 | 88.1 Ų | 88.1 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -55.6 | -30.6 | 176.6 | -28.3 | 36.9 | 0 | 0 | 0 | 113.7 | L1786 I1787 | P1783-L1786 CarbonylContact O-C 3.52Å; P1783-L1786 WeakPolarHBondContact O-CB 3.29Å; P1783-L1786 PolarHBondContact O-N 3Å; P1783-I1787 WeakPolarHBondContact O-CG1 3.43Å; P1783-I1787 PolarHBondContact O-N 3.37Å |
| 1784 | N | 38.2 | Very low | 50 | Low | 67 Ų | 67 | 86.7 Ų | 86.7 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -74.7 | -37.4 | 174.9 | -81.5 | 9 | 0 | 0 | 0 | 113 | D1782 L1786 I1787 M1788 Q2036 | D1782-N1784 PolarHBondContact O-N 3.27Å; D1782-N1784 VanDerWaalsContact O-N 3.14Å; D1782-N1784 WeakPolarHBondContact OD2-CB 3.39Å; D1782-N1784 PolarHBondContact OD2-N 3.43Å; N1784-L1786 PolarHBondContact O-N 3.49Å; N1784-I1787 PolarHBondContact O-N 3.42Å; N1784-M1788 PolarHBondContact O-N 3.15Å; N1784-Q2036 VanDerWaalsContact ND2-CD 3.26Å; N1784-Q2036 PolarHBondContact ND2-NE2 2.98Å; N1784-Q2036 PolarHBondContact ND2-OE1 2.95Å |
| 1785 | D | 39.2 | Very low | 47.6 | Very low | 78 Ų | 78 | 85.6 Ų | 85.6 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62 | -35.2 | 168.9 | -91.5 | -31 | 0 | 0 | 0 | 110.4 | D1782 I1787 N1789 | D1782-D1785 HydrophobicContact CB-CB 4.32Å; D1782-D1785 WeakPolarHBondContact O-CB 3.34Å; D1782-D1785 PolarHBondContact O-N 3.38Å; D1785-I1787 VanDerWaalsContact C-N 3.31Å; D1785-I1787 PolarHBondContact O-N 3.16Å; D1785-N1789 WeakPolarHBondContact O-CA 3.32Å; D1785-N1789 WeakPolarHBondContact O-CB 3.48Å; D1785-N1789 VanDerWaalsContact O-CG 3.32Å; D1785-N1789 PolarHBondContact O-N 3.38Å; D1785-N1789 PolarHBondContact O-ND2 2.89Å |
| 1786 | L | 37.6 | Very low | 45.2 | Very low | 84 Ų | 84 | 86.7 Ų | 86.7 | 44% | 0.44 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.3 | -23.3 | 171.2 | -74.8 | 165.7 | 0 | 0 | 0 | 113.3 | D1782 P1783 N1784 R1790 | D1782-L1786 PolarHBondContact O-N 3.06Å; P1783-L1786 CarbonylContact O-C 3.52Å; P1783-L1786 WeakPolarHBondContact O-CB 3.29Å; P1783-L1786 PolarHBondContact O-N 3Å; N1784-L1786 PolarHBondContact O-N 3.49Å; L1786-R1790 WeakPolarHBondContact O-CA 3.22Å; L1786-R1790 WeakPolarHBondContact O-CB 3.43Å; L1786-R1790 WeakPolarHBondContact O-CD 3.25Å; L1786-R1790 WeakPolarHBondContact O-CG 3.03Å; L1786-R1790 PolarHBondContact O-N 2.64Å |
| 1787 | I | 37.5 | Very low | 42.7 | Very low | 83 Ų | 83 | 85.9 Ų | 85.9 | 43% | 0.426 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -82.3 | -43.7 | 173.6 | -70.8 | 163.5 | 0 | 0 | 0 | 111.5 | P1783 N1784 D1785 R1790 K1791 | P1783-I1787 WeakPolarHBondContact O-CG1 3.43Å; P1783-I1787 PolarHBondContact O-N 3.37Å; N1784-I1787 PolarHBondContact O-N 3.42Å; D1785-I1787 VanDerWaalsContact C-N 3.31Å; D1785-I1787 PolarHBondContact O-N 3.16Å; I1787-R1790 PolarHBondContact O-N 3.13Å; I1787-K1791 PolarHBondContact O-N 3.05Å |
| 1788 | M | 34.2 | Very low | 40.4 | Very low | 118 Ų | 118 | 93 Ų | 93 | 58% | 0.581 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.6 | -47.5 | 170 | -74.9 | -66.1 | -165.1 | 0 | 0 | 110.7 | N1784 K1791 R1792 | N1784-M1788 PolarHBondContact O-N 3.15Å; M1788-K1791 WeakPolarHBondContact O-CB 3.16Å; M1788-K1791 PolarHBondContact O-N 3.16Å; M1788-K1791 VanDerWaalsContact O-N 3.17Å; M1788-R1792 PolarHBondContact O-N 3.33Å; M1788-R1792 VanDerWaalsContact O-N 3.11Å |
| 1789 | N | 34.5 | Very low | 38.2 | Very low | 65 Ų | 65 | 96.1 Ų | 96.1 | 35% | 0.348 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.3 | -26.7 | 176.1 | -71.1 | -62.5 | 0 | 0 | 0 | 113 | D1785 K1791 R1792 S1793 | D1785-N1789 WeakPolarHBondContact O-CA 3.32Å; D1785-N1789 WeakPolarHBondContact O-CB 3.48Å; D1785-N1789 VanDerWaalsContact O-CG 3.32Å; D1785-N1789 PolarHBondContact O-N 3.38Å; D1785-N1789 PolarHBondContact O-ND2 2.89Å; N1789-K1791 VanDerWaalsContact C-N 3.3Å; N1789-K1791 PolarHBondContact O-N 3.43Å; N1789-R1792 CarbonylContact O-C 3.27Å; N1789-R1792 WeakPolarHBondContact O-CA 3.49Å; N1789-R1792 PolarHBondContact O-N 2.85Å; N1789-R1792 VanDerWaalsContact O-N 3.15Å; N1789-S1793 WeakPolarHBondContact O-CB 3.24Å; N1789-S1793 PolarHBondContact O-N 3.37Å; N1789-S1793 PolarHBondContact O-OG 3Å |
| 1790 | R | 34.9 | Very low | 36.1 | Very low | 167 Ų | 167 | 95 Ų | 95 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -34.7 | 167.2 | -89.8 | 170.2 | 172.4 | -179.9 | -1.9 | 111.7 | L1786 I1787 S1793 Q1794 | L1786-R1790 WeakPolarHBondContact O-CA 3.22Å; L1786-R1790 WeakPolarHBondContact O-CB 3.43Å; L1786-R1790 WeakPolarHBondContact O-CD 3.25Å; L1786-R1790 WeakPolarHBondContact O-CG 3.03Å; L1786-R1790 PolarHBondContact O-N 2.64Å; I1787-R1790 PolarHBondContact O-N 3.13Å; R1790-S1793 CarbonylContact O-C 3.54Å; R1790-S1793 WeakPolarHBondContact O-CA 3.22Å; R1790-S1793 PolarHBondContact O-N 3.19Å; R1790-Q1794 PolarHBondContact O-N 2.78Å |
| 1791 | K | 32.5 | Very low | 34.5 | Very low | 98 Ų | 98 | 103.7 Ų | 103.7 | 43% | 0.426 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.1 | -33.5 | 170.7 | -67.9 | 173.1 | -175.2 | 175.3 | 0 | 112 | I1787 M1788 N1789 S1793 L2117 | I1787-K1791 PolarHBondContact O-N 3.05Å; M1788-K1791 WeakPolarHBondContact O-CB 3.16Å; M1788-K1791 PolarHBondContact O-N 3.16Å; M1788-K1791 VanDerWaalsContact O-N 3.17Å; N1789-K1791 VanDerWaalsContact C-N 3.3Å; N1789-K1791 PolarHBondContact O-N 3.43Å; K1791-S1793 VanDerWaalsContact C-N 3.26Å; K1791-S1793 PolarHBondContact O-N 3.18Å; K1791-L2117 HydrophobicContact CD-CD1 4.22Å |
| 1792 | R | 34.2 | Very low | 33.4 | Very low | 168 Ų | 168 | 108.1 Ų | 108.1 | 63% | 0.634 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 14.9 | 163.2 | -85.4 | -177 | 165 | -174.6 | -6.2 | 114.9 | M1788 N1789 Y1796 R1803 | M1788-R1792 PolarHBondContact O-N 3.33Å; M1788-R1792 VanDerWaalsContact O-N 3.11Å; N1789-R1792 CarbonylContact O-C 3.27Å; N1789-R1792 WeakPolarHBondContact O-CA 3.49Å; N1789-R1792 PolarHBondContact O-N 2.85Å; N1789-R1792 VanDerWaalsContact O-N 3.15Å; R1792-Y1796 VanDerWaalsContact O-CD2 3.27Å; R1792-Y1796 WeakPolarHBondContact O-CD2 3.46Å; R1792-R1803 PolarHBondContact O-NH2 3Å; R1792-R1803 VanDerWaalsContact O-NH2 3.11Å |
| 1793 | S | 30.1 | Very low | 32.5 | Very low | 19 Ų | 19 | 113.5 Ų | 113.5 | 13% | 0.133 | 57% | 0.565 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -139.1 | -11.1 | 179.9 | -51.6 | 0 | 0 | 0 | 0 | 115.1 | N1789 R1790 K1791 S1795 Y1796 L1797 R1803 | N1789-S1793 WeakPolarHBondContact O-CB 3.24Å; N1789-S1793 PolarHBondContact O-N 3.37Å; N1789-S1793 PolarHBondContact O-OG 3Å; R1790-S1793 CarbonylContact O-C 3.54Å; R1790-S1793 WeakPolarHBondContact O-CA 3.22Å; R1790-S1793 PolarHBondContact O-N 3.19Å; K1791-S1793 VanDerWaalsContact C-N 3.26Å; K1791-S1793 PolarHBondContact O-N 3.18Å; S1793-S1795 PolarHBondContact O-N 2.96Å; S1793-Y1796 CarbonylContact O-C 3.41Å; S1793-Y1796 WeakPolarHBondContact O-CA 3.4Å; S1793-Y1796 WeakPolarHBondContact O-CB 3.46Å; S1793-Y1796 PolarHBondContact O-N 3.03Å; S1793-L1797 WeakPolarHBondContact O-CG 3.46Å; S1793-L1797 PolarHBondContact O-N 3.21Å; S1793-R1803 PolarHBondContact OG-NH1 3.39Å |
| 1794 | Q | 29.5 | Very low | 32.1 | Very low | 122 Ų | 122 | 114.6 Ų | 114.6 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -1.3 | 171.6 | -90.7 | -169.3 | -14.2 | 0 | 0 | 114.3 | R1790 L1797 | R1790-Q1794 PolarHBondContact O-N 2.78Å; Q1794-L1797 HydrophobicContact CG-CD1 4.22Å |
| 1795 | S | 31.5 | Very low | 32.5 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -11.6 | 156.4 | 49.2 | 0 | 0 | 0 | 0 | 113.3 | S1793 | S1793-S1795 PolarHBondContact O-N 2.96Š|
| 1796 | Y | 31.3 | Very low | 33.2 | Very low | 63 Ų | 63 | 121.1 Ų | 121.1 | 25% | 0.247 | 61% | 0.605 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -102.6 | -15.2 | -178.1 | -68.2 | -100.2 | 0 | 0 | 0 | 112.9 | R779 R1792 S1793 L1798 N1799 | R779-Y1796 PolarHBondContact NH1-OH 2.86Å; R779-Y1796 PolarHBondContact NH2-OH 3.44Å; R1792-Y1796 VanDerWaalsContact O-CD2 3.27Å; R1792-Y1796 WeakPolarHBondContact O-CD2 3.46Å; S1793-Y1796 CarbonylContact O-C 3.41Å; S1793-Y1796 WeakPolarHBondContact O-CA 3.4Å; S1793-Y1796 WeakPolarHBondContact O-CB 3.46Å; S1793-Y1796 PolarHBondContact O-N 3.03Å; Y1796-L1798 PolarHBondContact O-N 2.84Å; Y1796-L1798 VanDerWaalsContact O-N 3.14Å; Y1796-N1799 PolarHBondContact O-N 3.23Å |
| 1797 | L | 29.1 | Very low | 34.4 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 13 | 180 | -83.3 | 164.8 | 0 | 0 | 0 | 115.1 | S1793 Q1794 | S1793-L1797 WeakPolarHBondContact O-CG 3.46Å; S1793-L1797 PolarHBondContact O-N 3.21Å; Q1794-L1797 HydrophobicContact CG-CD1 4.22Å |
| 1798 | L | 31.4 | Very low | 35.7 | Very low | 165 Ų | 165 | 116.3 Ų | 116.3 | 86% | 0.864 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.1 | -15.3 | 171.3 | -89.7 | 165.7 | 0 | 0 | 0 | 114.2 | Y1796 | Y1796-L1798 PolarHBondContact O-N 2.84Å; Y1796-L1798 VanDerWaalsContact O-N 3.14Å |
| 1799 | N | 25.5 | Very low | 37.2 | Very low | 137 Ų | 137 | 118.8 Ų | 118.8 | 73% | 0.733 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -130 | 103.1 | 177.3 | -83.4 | -20.7 | 0 | 0 | 0 | 109.9 | Y1796 | Y1796-N1799 PolarHBondContact O-N 3.23Š|
| 1800 | G | 25.9 | Very low | 39 | Very low | 75 Ų | 75 | 115.9 Ų | 115.9 | 77% | 0.773 | 57% | 0.573 | S | S | * | * | trans | -85.1 | 119.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1801 | R | 27.2 | Very low | 40.7 | Very low | 245 Ų | 245 | 110.8 Ų | 110.8 | 93% | 0.925 | 56% | 0.561 | S | S | * | * | trans | -161.6 | 153.2 | 149.3 | -104.1 | 150 | -170.5 | -179.9 | 3.6 | 111.2 | ||||
| 1802 | N | 28.7 | Very low | 42.4 | Very low | 165 Ų | 165 | 110.1 Ų | 110.1 | 88% | 0.882 | 56% | 0.562 | S | S | * | * | trans | -52.7 | 147.1 | -158.8 | -56.5 | -13.4 | 0 | 0 | 0 | 117 | ||||
| 1803 | R | 27.8 | Very low | 44 | Very low | 157 Ų | 157 | 106.4 Ų | 106.4 | 59% | 0.592 | 56% | 0.558 | S | S | * | * | trans | -118 | 129.4 | 165 | -73.9 | -177.9 | 176.3 | 167.8 | -0.4 | 110.5 | R1792 S1793 | R1792-R1803 PolarHBondContact O-NH2 3Å; R1792-R1803 VanDerWaalsContact O-NH2 3.11Å; S1793-R1803 PolarHBondContact OG-NH1 3.39Å | ||
| 1804 | S | 33.5 | Very low | 46.2 | Very low | 108 Ų | 108 | 106.1 Ų | 106.1 | 76% | 0.755 | 56% | 0.555 | S | S | * | * | trans | -160.7 | 107.1 | 163.7 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1805 | N | 46.1 | Very low | 48.6 | Very low | 151 Ų | 151 | 100.3 Ų | 100.3 | 81% | 0.807 | 53% | 0.528 | S | S | * | . | trans | 170.3 | -9 | 159.7 | -97.5 | -13.6 | 0 | 0 | 0 | 114.1 | L1807 | N1805-L1807 PolarHBondContact O-N 3.3Š| ||
| 1806 | H | 54.7 | Low | 50.6 | Low | 130 Ų | 130 | 98.8 Ų | 98.8 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | trans | -79.5 | 86.9 | -177.4 | -148.3 | -16.8 | 0 | 0 | 0 | 111 | S776 | S776-H1806 WeakPolarHBondContact CB-CD2 3.47Å; S776-H1806 VanDerWaalsContact CB-NE2 3.29Å; S776-H1806 WeakPolarHBondContact CB-NE2 3.31Å | ||
| 1807 | L | 61.7 | Low | 52.8 | Low | 49 Ų | 49 | 99.7 Ų | 99.7 | 26% | 0.257 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 138.7 | 175.7 | -56.6 | 179.4 | 0 | 0 | 0 | 110.6 | K1769 F1772 K1773 N1805 | K1769-L1807 HydrophobicContact CG-CD1 4.36Å; F1772-L1807 HydrophobicContact CB-CD2 3.98Å; K1773-L1807 HydrophobicContact CB-CD1 4.34Å; N1805-L1807 PolarHBondContact O-N 3.3Å |
| 1808 | P | 64.5 | Low | 55.3 | Low | 17 Ų | 17 | 93.4 Ų | 93.4 | 11% | 0.11 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -70 | 148.8 | 178.9 | 28.4 | -33 | 0 | 0 | 0 | 111.4 | S1768 F1772 Q1779 A1810 L1814 | S1768-P1808 PolarHBondContact OG-O 3.35Å; F1772-P1808 HydrophobicContact CD2-CG 4Å; F1772-P1808 HydrophobicContact CE1-CG 4.23Å; F1772-P1808 HydrophobicContact CE2-CG 3.67Å; F1772-P1808 WeakPolarHBondContact CE2-O 3.32Å; F1772-P1808 HydrophobicContact CG-CG 4.46Å; F1772-P1808 HydrophobicContact CZ-CG 3.8Å; Q1779-P1808 HydrophobicContact CB-CG 4.26Å; Q1779-P1808 HydrophobicContact CG-CG 4.3Å; P1808-A1810 PolarHBondContact O-N 3.15Å; P1808-L1814 HydrophobicContact CB-CD2 3.84Å; P1808-L1814 HydrophobicContact CG-CD2 3.99Å |
| 1809 | K | 66.3 | Low | 57.6 | Low | 171 Ų | 171 | 87.1 Ų | 87.1 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 127.6 | 178.8 | -76.4 | -172.8 | 174.8 | -173.1 | 0 | 110.3 | T1811 L1814 | K1809-T1811 HydrophobicContact CB-CG2 4.34Å; K1809-T1811 PolarHBondContact O-N 3.32Å; K1809-L1814 VanDerWaalsContact O-CD2 3.26Å; K1809-L1814 WeakPolarHBondContact O-CD2 3.46Å |
| 1810 | A | 71.7 | Confident | 60 | Low | 3 Ų | 3 | 86.3 Ų | 86.3 | 3% | 0.025 | 45% | 0.454 | C | S | . | . | trans | -69.3 | 68.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1767 S1768 L1771 P1808 L1815 R1832 | I1767-A1810 HydrophobicContact CB-CB 4.29Å; I1767-A1810 HydrophobicContact CG2-CB 3.54Å; S1768-A1810 WeakPolarHBondContact OG-CB 3.48Å; S1768-A1810 PolarHBondContact OG-N 3.34Å; L1771-A1810 HydrophobicContact CD1-CB 4.47Å; P1808-A1810 PolarHBondContact O-N 3.15Å; A1810-L1815 HydrophobicContact CB-CD2 4.31Å; A1810-R1832 PolarHBondContact O-NH1 2.9Å; A1810-R1832 PolarHBondContact O-NH2 3.13Å | ||
| 1811 | T | 70.3 | Confident | 62.6 | Low | 61 Ų | 61 | 86.9 Ų | 86.9 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | trans | -72.8 | 157.9 | 165.6 | 61.6 | 0 | 0 | 0 | 0 | 110.4 | K1809 T1813 L1814 L1815 | K1809-T1811 HydrophobicContact CB-CG2 4.34Å; K1809-T1811 PolarHBondContact O-N 3.32Å; T1811-T1813 PolarHBondContact O-N 3.48Å; T1811-T1813 PolarHBondContact OG1-OG1 2.63Å; T1811-L1814 PolarHBondContact O-N 2.87Å; T1811-L1814 PolarHBondContact OG1-N 3.45Å; T1811-L1815 WeakPolarHBondContact O-CG 3.23Å; T1811-L1815 PolarHBondContact O-N 3.27Å | ||
| 1812 | N | 69.3 | Low | 65.4 | Low | 83 Ų | 83 | 75.9 Ų | 75.9 | 44% | 0.444 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.2 | -30 | 178.4 | -63.7 | 4.5 | 0 | 0 | 0 | 111.9 | L1814 L1815 S1816 M1829 R1832 | N1812-L1814 VanDerWaalsContact C-N 3.28Å; N1812-L1814 PolarHBondContact O-N 3.03Å; N1812-L1815 PolarHBondContact O-N 3.07Å; N1812-S1816 WeakPolarHBondContact O-CB 3.39Å; N1812-S1816 PolarHBondContact O-N 3.23Å; N1812-S1816 PolarHBondContact O-OG 2.94Å; N1812-M1829 HydrophobicContact CB-SD 4.45Å; N1812-R1832 PolarHBondContact OD1-NH1 3.38Å |
| 1813 | T | 68.2 | Low | 68.1 | Low | 90 Ų | 90 | 68.3 Ų | 68.3 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.6 | -20.6 | 170.7 | 39.4 | 0 | 0 | 0 | 0 | 115 | T1811 S1816 | T1811-T1813 PolarHBondContact O-N 3.48Å; T1811-T1813 PolarHBondContact OG1-OG1 2.63Å; T1813-S1816 PolarHBondContact O-OG 3.42Å |
| 1814 | L | 74.9 | Confident | 71.1 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -91.2 | -41.1 | 171.8 | -177.4 | 54 | 0 | 0 | 0 | 110.9 | F1772 I1780 P1808 K1809 T1811 N1812 S1816 K1817 L1818 | F1772-L1814 HydrophobicContact CE2-CD2 4.05Å; F1772-L1814 HydrophobicContact CZ-CD2 3.56Å; F1772-L1814 HydrophobicContact CZ-CG 4.03Å; I1780-L1814 HydrophobicContact CB-CD1 4.23Å; I1780-L1814 WeakPolarHBondContact O-CD1 3.43Å; P1808-L1814 HydrophobicContact CB-CD2 3.84Å; P1808-L1814 HydrophobicContact CG-CD2 3.99Å; K1809-L1814 VanDerWaalsContact O-CD2 3.26Å; K1809-L1814 WeakPolarHBondContact O-CD2 3.46Å; T1811-L1814 PolarHBondContact O-N 2.87Å; T1811-L1814 PolarHBondContact OG1-N 3.45Å; N1812-L1814 VanDerWaalsContact C-N 3.28Å; N1812-L1814 PolarHBondContact O-N 3.03Å; L1814-S1816 VanDerWaalsContact C-N 3.33Å; L1814-S1816 PolarHBondContact O-N 3.32Å; L1814-K1817 PolarHBondContact O-N 2.87Å; L1814-L1818 HydrophobicContact CG-CD1 4.24Å; L1814-L1818 WeakPolarHBondContact O-CG 3.43Å; L1814-L1818 PolarHBondContact O-N 3.07Å; L1814-L1818 VanDerWaalsContact O-N 3.15Å |
| 1815 | L | 80.2 | Confident | 73.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 175.8 | -66.8 | 174.8 | 0 | 0 | 0 | 112.1 | I1767 L1771 A1810 T1811 N1812 K1817 L1818 T1819 P1825 I1828 M1829 | I1767-L1815 HydrophobicContact CG2-CD2 4.36Å; L1771-L1815 HydrophobicContact CD1-CD2 3.38Å; A1810-L1815 HydrophobicContact CB-CD2 4.31Å; T1811-L1815 WeakPolarHBondContact O-CG 3.23Å; T1811-L1815 PolarHBondContact O-N 3.27Å; N1812-L1815 PolarHBondContact O-N 3.07Å; L1815-K1817 VanDerWaalsContact C-N 3.34Å; L1815-K1817 PolarHBondContact O-N 2.74Å; L1815-L1818 CarbonylContact O-C 3.5Å; L1815-L1818 PolarHBondContact O-N 2.98Å; L1815-L1818 VanDerWaalsContact O-N 3.11Å; L1815-T1819 PolarHBondContact O-N 2.98Å; L1815-T1819 PolarHBondContact O-OG1 3.34Å; L1815-P1825 HydrophobicContact CB-CB 4.37Å; L1815-P1825 HydrophobicContact CD2-CB 4.25Å; L1815-P1825 WeakPolarHBondContact O-CB 3.31Å; L1815-I1828 HydrophobicContact CD1-CG2 3.77Å; L1815-M1829 HydrophobicContact CB-CE 4.36Å; L1815-M1829 HydrophobicContact CB-CG 3.68Å; L1815-M1829 HydrophobicContact CB-SD 3.6Å; L1815-M1829 HydrophobicContact CD1-CG 3.71Å; L1815-M1829 HydrophobicContact CG-CG 4.34Å |
| 1816 | S | 75.2 | Confident | 75.7 | Confident | 60 Ų | 60 | 49.2 Ų | 49.2 | 42% | 0.42 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 176.9 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | N1812 T1813 L1814 L1818 T1819 | N1812-S1816 WeakPolarHBondContact O-CB 3.39Å; N1812-S1816 PolarHBondContact O-N 3.23Å; N1812-S1816 PolarHBondContact O-OG 2.94Å; T1813-S1816 PolarHBondContact O-OG 3.42Å; L1814-S1816 VanDerWaalsContact C-N 3.33Å; L1814-S1816 PolarHBondContact O-N 3.32Å; S1816-L1818 VanDerWaalsContact C-N 3.3Å; S1816-L1818 PolarHBondContact O-N 2.8Å; S1816-T1819 WeakPolarHBondContact O-CB 3.15Å; S1816-T1819 PolarHBondContact O-N 2.95Å; S1816-T1819 PolarHBondContact O-OG1 3.37Å |
| 1817 | K | 76.6 | Confident | 77.4 | Confident | 82 Ų | 82 | 43 Ų | 43 | 36% | 0.357 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.7 | -29.5 | 175.9 | -61.8 | 179.9 | -170.7 | -179.2 | 0 | 113.1 | I1780 D1782 L1814 L1815 | I1780-K1817 HydrophobicContact CD1-CB 4.23Å; I1780-K1817 HydrophobicContact CG2-CD 4.11Å; D1782-K1817 IonicContact OD1-NZ 3.31Å; D1782-K1817 PolarHBondContact OD1-NZ 3.17Å; L1814-K1817 PolarHBondContact O-N 2.87Å; L1815-K1817 VanDerWaalsContact C-N 3.34Å; L1815-K1817 PolarHBondContact O-N 2.74Å |
| 1818 | L | 82.1 | Confident | 78.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -83.8 | -14.4 | 176.6 | -64.3 | 172.2 | 0 | 0 | 0 | 113.6 | L1771 F1772 L1777 I1780 L1814 L1815 S1816 N1820 L1821 H1822 P1825 | L1771-L1818 HydrophobicContact CD1-CD1 4.24Å; F1772-L1818 HydrophobicContact CE1-CD1 3.61Å; F1772-L1818 HydrophobicContact CE1-CD2 4.22Å; F1772-L1818 HydrophobicContact CZ-CD1 3.6Å; L1777-L1818 HydrophobicContact CB-CD2 4.3Å; I1780-L1818 HydrophobicContact CD1-CD2 3.99Å; I1780-L1818 HydrophobicContact CG1-CD2 4.38Å; L1814-L1818 HydrophobicContact CG-CD1 4.24Å; L1814-L1818 WeakPolarHBondContact O-CG 3.43Å; L1814-L1818 PolarHBondContact O-N 3.07Å; L1814-L1818 VanDerWaalsContact O-N 3.15Å; L1815-L1818 CarbonylContact O-C 3.5Å; L1815-L1818 PolarHBondContact O-N 2.98Å; L1815-L1818 VanDerWaalsContact O-N 3.11Å; S1816-L1818 VanDerWaalsContact C-N 3.3Å; S1816-L1818 PolarHBondContact O-N 2.8Å; L1818-N1820 PolarHBondContact O-N 3.36Å; L1818-L1821 HydrophobicContact CD2-CD1 4.2Å; L1818-L1821 WeakPolarHBondContact O-CB 3.49Å; L1818-L1821 PolarHBondContact O-N 2.92Å; L1818-H1822 PolarHBondContact O-N 2.99Å; L1818-P1825 HydrophobicContact CB-CB 4.28Å; L1818-P1825 HydrophobicContact CB-CG 3.82Å |
| 1819 | T | 79.9 | Confident | 79.9 | Confident | 32 Ų | 32 | 41.9 Ų | 41.9 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -29 | -176 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | L1815 S1816 L1821 A1826 M1829 | L1815-T1819 PolarHBondContact O-N 2.98Å; L1815-T1819 PolarHBondContact O-OG1 3.34Å; S1816-T1819 WeakPolarHBondContact O-CB 3.15Å; S1816-T1819 PolarHBondContact O-N 2.95Å; S1816-T1819 PolarHBondContact O-OG1 3.37Å; T1819-L1821 PolarHBondContact O-N 2.65Å; T1819-A1826 HydrophobicContact CG2-CB 3.87Å; T1819-M1829 VanDerWaalsContact OG1-CE 3.25Å; T1819-M1829 WeakPolarHBondContact OG1-CE 3.33Å |
| 1820 | N | 74.5 | Confident | 81 | Confident | 121 Ų | 121 | 35.4 Ų | 35.4 | 65% | 0.647 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.4 | 174.4 | -63.2 | -3.2 | 0 | 0 | 0 | 113.4 | L1818 Y1900 | L1818-N1820 PolarHBondContact O-N 3.36Å; N1820-Y1900 PolarHBondContact O-OH 3.1Å |
| 1821 | L | 80.5 | Confident | 82.1 | Confident | 86 Ų | 86 | 36.4 Ų | 36.4 | 45% | 0.45 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -22.1 | -174.9 | -58 | 175.5 | 0 | 0 | 0 | 113.3 | L1777 P1778 I1780 L1818 T1819 | L1777-L1821 HydrophobicContact CD2-CB 4.22Å; P1778-L1821 HydrophobicContact CG-CD1 3.42Å; P1778-L1821 VanDerWaalsContact CG-CD1 3.42Å; I1780-L1821 HydrophobicContact CD1-CD1 4.29Å; L1818-L1821 HydrophobicContact CD2-CD1 4.2Å; L1818-L1821 WeakPolarHBondContact O-CB 3.49Å; L1818-L1821 PolarHBondContact O-N 2.92Å; T1819-L1821 PolarHBondContact O-N 2.65Å |
| 1822 | H | 85.8 | Confident | 83 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 7% | 0.069 | 19% | 0.19 | C | C | . | . | trans | -158.6 | 145.4 | 177.4 | -157.6 | -103.8 | 0 | 0 | 0 | 110.2 | L1754 L1777 L1818 L1824 P1825 F1921 | L1754-H1822 PolarHBondContact O-CE1 2.92Å; L1777-H1822 HydrophobicContact CD1-CB 3.93Å; L1777-H1822 HydrophobicContact CD2-CB 3.99Å; L1818-H1822 PolarHBondContact O-N 2.99Å; H1822-L1824 VanDerWaalsContact ND1-CB 3.3Å; H1822-L1824 WeakPolarHBondContact ND1-CB 3.36Å; H1822-L1824 PolarHBondContact ND1-N 3.25Å; H1822-P1825 VanDerWaalsContact O-CD 3.32Å; H1822-P1825 WeakPolarHBondContact O-CD 3.33Å; H1822-F1921 AromaticContact CD2-CZ 3.97Å; H1822-F1921 AromaticContact NE2-CE1 3.49Å; H1822-F1921 WeakPolarHBondContact NE2-CE1 3.37Å; H1822-F1921 AromaticContact NE2-CZ 3.35Å; H1822-F1921 VanDerWaalsContact NE2-CZ 3.35Å; H1822-F1921 WeakPolarHBondContact NE2-CZ 3.32Å | ||
| 1823 | P | 87.2 | Confident | 83.8 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 4% | 0.039 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -71.7 | -28 | 178.3 | 26 | -34 | 0 | 0 | 0 | 114 | L1754 A1826 V1827 Y1900 F1921 L1925 | L1754-P1823 HydrophobicContact CD1-CB 4.27Å; L1754-P1823 HydrophobicContact CD1-CG 4.26Å; L1754-P1823 HydrophobicContact CD2-CG 4.09Å; P1823-A1826 WeakPolarHBondContact O-CB 3.45Å; P1823-A1826 PolarHBondContact O-N 3.25Å; P1823-V1827 PolarHBondContact O-N 3.18Å; P1823-Y1900 HydrophobicContact CB-CD2 4.42Å; P1823-F1921 HydrophobicContact CG-CB 4.02Å; P1823-F1921 HydrophobicContact CG-CD1 4.4Å; P1823-F1921 HydrophobicContact CG-CG 4.07Å; P1823-L1925 HydrophobicContact CB-CD1 3.93Å; P1823-L1925 HydrophobicContact CG-CD1 4.34Å |
| 1824 | L | 90.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53.1 | -45.8 | -177.1 | -178.9 | 65.4 | 0 | 0 | 0 | 114.2 | A1751 L1754 A1755 F1759 V1770 L1771 L1775 H1822 A1826 V1827 I1828 | A1751-L1824 HydrophobicContact CB-CD1 3.63Å; L1754-L1824 HydrophobicContact CB-CB 4.3Å; L1754-L1824 HydrophobicContact CB-CD1 4.18Å; A1755-L1824 HydrophobicContact CB-CD2 4.23Å; F1759-L1824 HydrophobicContact CE1-CD2 4.45Å; F1759-L1824 HydrophobicContact CZ-CD1 4.24Å; F1759-L1824 HydrophobicContact CZ-CD2 4.41Å; V1770-L1824 HydrophobicContact CG1-CD2 3.8Å; L1771-L1824 HydrophobicContact CD2-CD2 4.36Å; L1775-L1824 HydrophobicContact CD1-CD2 3.61Å; H1822-L1824 VanDerWaalsContact ND1-CB 3.3Å; H1822-L1824 WeakPolarHBondContact ND1-CB 3.36Å; H1822-L1824 PolarHBondContact ND1-N 3.25Å; L1824-A1826 PolarHBondContact O-N 2.95Å; L1824-V1827 PolarHBondContact O-N 3.31Å; L1824-V1827 VanDerWaalsContact O-N 3.15Å; L1824-I1828 HydrophobicContact CD1-CD1 4.1Å; L1824-I1828 HydrophobicContact CD1-CG1 4.08Å; L1824-I1828 HydrophobicContact CD2-CD1 4.19Å; L1824-I1828 HydrophobicContact CG-CD1 3.72Å; L1824-I1828 HydrophobicContact CG-CG1 4.16Å; L1824-I1828 WeakPolarHBondContact O-CG1 3.37Å; L1824-I1828 PolarHBondContact O-N 3.23Å |
| 1825 | P | 88.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -45.9 | -39.2 | 169.8 | -32.4 | 31.8 | 0 | 0 | 0 | 116.2 | L1771 L1815 L1818 H1822 M1829 | L1771-P1825 HydrophobicContact CD2-CG 3.85Å; L1815-P1825 HydrophobicContact CB-CB 4.37Å; L1815-P1825 HydrophobicContact CD2-CB 4.25Å; L1815-P1825 WeakPolarHBondContact O-CB 3.31Å; L1818-P1825 HydrophobicContact CB-CB 4.28Å; L1818-P1825 HydrophobicContact CB-CG 3.82Å; H1822-P1825 VanDerWaalsContact O-CD 3.32Å; H1822-P1825 WeakPolarHBondContact O-CD 3.33Å; P1825-M1829 WeakPolarHBondContact O-CG 3.43Å; P1825-M1829 PolarHBondContact O-N 2.82Å; P1825-M1829 VanDerWaalsContact O-N 3.12Å |
| 1826 | A | 87.1 | Confident | 85.7 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 12% | 0.116 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.5 | -48.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1819 P1823 L1824 I1828 M1829 E1830 L1898 | T1819-A1826 HydrophobicContact CG2-CB 3.87Å; P1823-A1826 WeakPolarHBondContact O-CB 3.45Å; P1823-A1826 PolarHBondContact O-N 3.25Å; L1824-A1826 PolarHBondContact O-N 2.95Å; A1826-I1828 VanDerWaalsContact C-N 3.27Å; A1826-I1828 PolarHBondContact O-N 2.93Å; A1826-M1829 PolarHBondContact O-N 3.36Å; A1826-M1829 VanDerWaalsContact O-N 3.11Å; A1826-E1830 PolarHBondContact O-N 2.86Å; A1826-L1898 HydrophobicContact CB-CD2 3.7Å |
| 1827 | V | 90.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | L1747 V1750 A1751 L1754 P1823 L1824 W1831 L1898 L1925 | L1747-V1827 HydrophobicContact CB-CG1 4.09Å; L1747-V1827 HydrophobicContact CD2-CG1 3.95Å; L1747-V1827 VanDerWaalsContact O-CG1 3.27Å; L1747-V1827 WeakPolarHBondContact O-CG1 3.43Å; V1750-V1827 HydrophobicContact CG1-CG1 4.44Å; V1750-V1827 HydrophobicContact CG1-CG2 4.33Å; A1751-V1827 HydrophobicContact CB-CG1 3.95Å; L1754-V1827 HydrophobicContact CD1-CG2 3.8Å; P1823-V1827 PolarHBondContact O-N 3.18Å; L1824-V1827 PolarHBondContact O-N 3.31Å; L1824-V1827 VanDerWaalsContact O-N 3.15Å; V1827-W1831 WeakPolarHBondContact O-CB 3.37Å; V1827-W1831 PolarHBondContact O-N 3.14Å; V1827-L1898 HydrophobicContact CG2-CD2 4.33Å; V1827-L1925 HydrophobicContact CG2-CD2 4.48Å |
| 1828 | I | 90.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -41.3 | 175 | -68.2 | 174.7 | 0 | 0 | 0 | 111.9 | F1759 M1761 I1767 L1815 L1824 A1826 R1832 | F1759-I1828 HydrophobicContact CE2-CD1 4.29Å; F1759-I1828 HydrophobicContact CZ-CD1 4.13Å; F1759-I1828 HydrophobicContact CZ-CG1 4.43Å; M1761-I1828 HydrophobicContact CE-CG1 4.21Å; M1761-I1828 HydrophobicContact SD-CG1 3.84Å; I1767-I1828 HydrophobicContact CD1-CD1 4.5Å; I1767-I1828 HydrophobicContact CD1-CG2 3.72Å; I1767-I1828 HydrophobicContact CG1-CD1 4.19Å; I1767-I1828 HydrophobicContact CG1-CG2 4.48Å; I1767-I1828 HydrophobicContact CG2-CD1 3.87Å; I1767-I1828 HydrophobicContact CG2-CG2 4.35Å; L1815-I1828 HydrophobicContact CD1-CG2 3.77Å; L1824-I1828 HydrophobicContact CD1-CD1 4.1Å; L1824-I1828 HydrophobicContact CD1-CG1 4.08Å; L1824-I1828 HydrophobicContact CD2-CD1 4.19Å; L1824-I1828 HydrophobicContact CG-CD1 3.72Å; L1824-I1828 HydrophobicContact CG-CG1 4.16Å; L1824-I1828 WeakPolarHBondContact O-CG1 3.37Å; L1824-I1828 PolarHBondContact O-N 3.23Å; A1826-I1828 VanDerWaalsContact C-N 3.27Å; A1826-I1828 PolarHBondContact O-N 2.93Å; I1828-R1832 WeakPolarHBondContact O-CB 3.13Å; I1828-R1832 VanDerWaalsContact O-CG 3.28Å; I1828-R1832 WeakPolarHBondContact O-CG 3.48Å; I1828-R1832 PolarHBondContact O-N 3.12Å; I1828-R1832 VanDerWaalsContact O-N 3.1Å |
| 1829 | M | 88 | Confident | 86.4 | Confident | 43 Ų | 43 | 29.5 Ų | 29.5 | 21% | 0.212 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.3 | -43.7 | 177.6 | -72.8 | -174.9 | -62.7 | 0 | 0 | 111.5 | N1812 L1815 T1819 P1825 A1826 R1832 H1833 | N1812-M1829 HydrophobicContact CB-SD 4.45Å; L1815-M1829 HydrophobicContact CB-CE 4.36Å; L1815-M1829 HydrophobicContact CB-CG 3.68Å; L1815-M1829 HydrophobicContact CB-SD 3.6Å; L1815-M1829 HydrophobicContact CD1-CG 3.71Å; L1815-M1829 HydrophobicContact CG-CG 4.34Å; T1819-M1829 VanDerWaalsContact OG1-CE 3.25Å; T1819-M1829 WeakPolarHBondContact OG1-CE 3.33Å; P1825-M1829 WeakPolarHBondContact O-CG 3.43Å; P1825-M1829 PolarHBondContact O-N 2.82Å; P1825-M1829 VanDerWaalsContact O-N 3.12Å; A1826-M1829 PolarHBondContact O-N 3.36Å; A1826-M1829 VanDerWaalsContact O-N 3.11Å; M1829-R1832 PolarHBondContact O-N 3.44Å; M1829-H1833 PolarHBondContact O-N 2.86Å |
| 1830 | E | 90.2 | Very high | 86.1 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 16% | 0.164 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.8 | -38.5 | -179.9 | -153.2 | 61.3 | -124.7 | 0 | 0 | 112.1 | L1747 A1826 R1832 H1833 I1834 L1898 | L1747-E1830 HydrophobicContact CD1-CB 4.18Å; L1747-E1830 HydrophobicContact CD1-CG 4.28Å; A1826-E1830 PolarHBondContact O-N 2.86Å; E1830-R1832 VanDerWaalsContact C-N 3.34Å; E1830-R1832 PolarHBondContact O-N 3.19Å; E1830-H1833 WeakPolarHBondContact O-CB 3.31Å; E1830-H1833 PolarHBondContact O-N 3.26Å; E1830-H1833 IonicContact OE1-CE1 2.71Å; E1830-H1833 IonicContact OE1-CG 3.46Å; E1830-H1833 IonicContact OE1-ND1 2.71Å; E1830-H1833 PolarHBondContact OE1-ND1 3.03Å; E1830-I1834 WeakPolarHBondContact O-CG1 3.44Å; E1830-I1834 PolarHBondContact O-N 3.04Å; E1830-L1898 HydrophobicContact CB-CD2 4.38Å |
| 1831 | W | 93.1 | Very high | 86.3 | Confident | 23 Ų | 23 | 25.6 Ų | 25.6 | 9% | 0.087 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 173.6 | -178.1 | 99.9 | 0 | 0 | 0 | 111.5 | L1747 M1761 D1762 V1827 H1833 I1834 N1835 | L1747-W1831 HydrophobicContact CB-CB 4.17Å; L1747-W1831 HydrophobicContact CD1-CB 4.24Å; M1761-W1831 HydrophobicContact CB-CD2 3.73Å; M1761-W1831 HydrophobicContact CB-CE3 3.66Å; M1761-W1831 HydrophobicContact CB-CH2 3.68Å; M1761-W1831 HydrophobicContact CB-CZ2 3.7Å; M1761-W1831 HydrophobicContact CB-CZ3 3.64Å; M1761-W1831 HydrophobicContact CE-CB 3.71Å; M1761-W1831 HydrophobicContact CE-CD2 4.22Å; M1761-W1831 HydrophobicContact CE-CG 3.68Å; M1761-W1831 HydrophobicContact CG-CD2 4.26Å; D1762-W1831 HydrophobicContact CB-CH2 4.49Å; V1827-W1831 WeakPolarHBondContact O-CB 3.37Å; V1827-W1831 PolarHBondContact O-N 3.14Å; W1831-H1833 VanDerWaalsContact C-N 3.29Å; W1831-H1833 PolarHBondContact O-N 2.69Å; W1831-I1834 PolarHBondContact O-N 3.27Å; W1831-N1835 HydrophobicContact CD2-CB 4.33Å; W1831-N1835 HydrophobicContact CE3-CB 4.16Å; W1831-N1835 HydrophobicContact CH2-CB 3.99Å; W1831-N1835 HydrophobicContact CZ2-CB 4.19Å; W1831-N1835 HydrophobicContact CZ3-CB 3.99Å; W1831-N1835 VanDerWaalsContact O-CB 3.27Å; W1831-N1835 WeakPolarHBondContact O-CB 3.42Å; W1831-N1835 PolarHBondContact O-N 3.12Å |
| 1832 | R | 89.6 | Confident | 86.4 | Confident | 46 Ų | 46 | 21.5 Ų | 21.5 | 17% | 0.174 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.5 | -35 | 176.7 | -76.9 | 173.7 | 172.2 | -174 | -0.4 | 112.6 | A1810 N1812 I1828 M1829 E1830 G1836 | A1810-R1832 PolarHBondContact O-NH1 2.9Å; A1810-R1832 PolarHBondContact O-NH2 3.13Å; N1812-R1832 PolarHBondContact OD1-NH1 3.38Å; I1828-R1832 WeakPolarHBondContact O-CB 3.13Å; I1828-R1832 VanDerWaalsContact O-CG 3.28Å; I1828-R1832 WeakPolarHBondContact O-CG 3.48Å; I1828-R1832 PolarHBondContact O-N 3.12Å; I1828-R1832 VanDerWaalsContact O-N 3.1Å; M1829-R1832 PolarHBondContact O-N 3.44Å; E1830-R1832 VanDerWaalsContact C-N 3.34Å; E1830-R1832 PolarHBondContact O-N 3.19Å; R1832-G1836 PolarHBondContact O-N 3.4Å |
| 1833 | H | 87.1 | Confident | 85.7 | Confident | 87 Ų | 87 | 24.4 Ų | 24.4 | 40% | 0.403 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -64.3 | -53.5 | 175.7 | 172.2 | -143 | 0 | 0 | 0 | 110.8 | M1829 E1830 W1831 G1836 I1837 | M1829-H1833 PolarHBondContact O-N 2.86Å; E1830-H1833 WeakPolarHBondContact O-CB 3.31Å; E1830-H1833 PolarHBondContact O-N 3.26Å; E1830-H1833 IonicContact OE1-CE1 2.71Å; E1830-H1833 IonicContact OE1-CG 3.46Å; E1830-H1833 IonicContact OE1-ND1 2.71Å; E1830-H1833 PolarHBondContact OE1-ND1 3.03Å; W1831-H1833 VanDerWaalsContact C-N 3.29Å; W1831-H1833 PolarHBondContact O-N 2.69Å; H1833-G1836 PolarHBondContact O-N 2.93Å; H1833-I1837 WeakPolarHBondContact O-CG1 3.41Å; H1833-I1837 PolarHBondContact O-N 3.35Å |
| 1834 | I | 89.2 | Confident | 85 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.4 | -45.2 | -179.5 | -59.6 | 178.4 | 0 | 0 | 0 | 111.7 | L1740 A1743 C1744 L1747 E1830 W1831 G1836 I1837 L1838 I1893 | L1740-I1834 HydrophobicContact CB-CG2 4.08Å; L1740-I1834 HydrophobicContact CD2-CG2 3.93Å; A1743-I1834 HydrophobicContact CB-CD1 3.89Å; C1744-I1834 WeakPolarHBondContact SG-CG2 3.01Å; L1747-I1834 HydrophobicContact CD1-CD1 3.79Å; E1830-I1834 WeakPolarHBondContact O-CG1 3.44Å; E1830-I1834 PolarHBondContact O-N 3.04Å; W1831-I1834 PolarHBondContact O-N 3.27Å; I1834-G1836 VanDerWaalsContact C-N 3.32Å; I1834-G1836 PolarHBondContact O-N 3.44Å; I1834-I1837 WeakPolarHBondContact O-CB 3.42Å; I1834-I1837 PolarHBondContact O-N 2.86Å; I1834-I1837 VanDerWaalsContact O-N 3.16Å; I1834-L1838 HydrophobicContact CG2-CD1 4.38Å; I1834-L1838 PolarHBondContact O-N 3.14Å; I1834-I1893 HydrophobicContact CD1-CD1 3.78Å; I1834-I1893 HydrophobicContact CD1-CG1 3.96Å; I1834-I1893 HydrophobicContact CD1-CG2 4.11Å |
| 1835 | N | 90 | Very high | 84.4 | Confident | 31 Ų | 31 | 26.4 Ų | 26.4 | 17% | 0.166 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | 179.2 | -170.2 | 75.4 | 0 | 0 | 0 | 112 | W1831 I1837 L1838 E1839 | W1831-N1835 HydrophobicContact CD2-CB 4.33Å; W1831-N1835 HydrophobicContact CE3-CB 4.16Å; W1831-N1835 HydrophobicContact CH2-CB 3.99Å; W1831-N1835 HydrophobicContact CZ2-CB 4.19Å; W1831-N1835 HydrophobicContact CZ3-CB 3.99Å; W1831-N1835 VanDerWaalsContact O-CB 3.27Å; W1831-N1835 WeakPolarHBondContact O-CB 3.42Å; W1831-N1835 PolarHBondContact O-N 3.12Å; N1835-I1837 PolarHBondContact O-N 3.4Å; N1835-L1838 PolarHBondContact O-N 3.48Å; N1835-E1839 PolarHBondContact ND2-OE2 2.94Å; N1835-E1839 PolarHBondContact O-N 2.85Å; N1835-E1839 VanDerWaalsContact O-N 3.09Å |
| 1836 | G | 84.2 | Confident | 83.8 | Confident | 10 Ų | 10 | 26.9 Ų | 26.9 | 10% | 0.103 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63 | -27.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1832 H1833 I1834 K1840 | R1832-G1836 PolarHBondContact O-N 3.4Å; H1833-G1836 PolarHBondContact O-N 2.93Å; I1834-G1836 VanDerWaalsContact C-N 3.32Å; I1834-G1836 PolarHBondContact O-N 3.44Å; G1836-K1840 WeakPolarHBondContact O-CB 3.37Å; G1836-K1840 WeakPolarHBondContact O-CD 3.48Å; G1836-K1840 WeakPolarHBondContact O-CG 3.27Å |
| 1837 | I | 84.1 | Confident | 82.9 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 9% | 0.087 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -78.5 | -44.9 | 173.2 | -70 | 165.8 | 0 | 0 | 0 | 110.8 | L1740 H1833 I1834 N1835 I1841 F1842 I1891 | L1740-I1837 HydrophobicContact CD1-CG2 4.22Å; H1833-I1837 WeakPolarHBondContact O-CG1 3.41Å; H1833-I1837 PolarHBondContact O-N 3.35Å; I1834-I1837 WeakPolarHBondContact O-CB 3.42Å; I1834-I1837 PolarHBondContact O-N 2.86Å; I1834-I1837 VanDerWaalsContact O-N 3.16Å; N1835-I1837 PolarHBondContact O-N 3.4Å; I1837-I1841 HydrophobicContact CG2-CD1 4.4Å; I1837-I1841 WeakPolarHBondContact O-CB 3.37Å; I1837-I1841 PolarHBondContact O-N 2.86Å; I1837-F1842 HydrophobicContact CG2-CD2 4.01Å; I1837-F1842 HydrophobicContact CG2-CE2 3.86Å; I1837-I1891 HydrophobicContact CD1-CG1 4.42Å; I1837-I1891 HydrophobicContact CD1-CG2 4Å; I1837-I1891 HydrophobicContact CG2-CD1 3.84Å |
| 1838 | L | 86.1 | Confident | 81.9 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -56.6 | -54.4 | 179 | -82.9 | 167.3 | 0 | 0 | 0 | 112 | L1740 L1741 I1834 N1835 K1840 F1842 N1843 | L1740-L1838 HydrophobicContact CB-CD1 4.18Å; L1740-L1838 HydrophobicContact CB-CD2 3.75Å; L1740-L1838 HydrophobicContact CB-CG 3.92Å; L1740-L1838 HydrophobicContact CD1-CD2 4.35Å; L1741-L1838 HydrophobicContact CD1-CD1 4.5Å; I1834-L1838 HydrophobicContact CG2-CD1 4.38Å; I1834-L1838 PolarHBondContact O-N 3.14Å; N1835-L1838 PolarHBondContact O-N 3.48Å; L1838-K1840 PolarHBondContact O-N 3.35Å; L1838-F1842 HydrophobicContact CD2-CB 4.41Å; L1838-F1842 PolarHBondContact O-N 2.89Å; L1838-N1843 PolarHBondContact O-N 3.37Å |
| 1839 | E | 78.5 | Confident | 81 | Confident | 49 Ų | 49 | 28.9 Ų | 28.9 | 23% | 0.229 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -67.1 | -35.3 | -172.8 | -71.9 | -170.1 | 85.9 | 0 | 0 | 114.1 | L1188 N1835 | L1188-E1839 WeakPolarHBondContact CB-OE2 3.44Å; L1188-E1839 PolarHBondContact N-OE1 3.36Å; N1835-E1839 PolarHBondContact ND2-OE2 2.94Å; N1835-E1839 PolarHBondContact O-N 2.85Å; N1835-E1839 VanDerWaalsContact O-N 3.09Å |
| 1840 | K | 72.7 | Confident | 80 | Confident | 53 Ų | 53 | 32.1 Ų | 32.1 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -101.9 | -13 | -165.4 | -54.1 | 177.8 | -155.5 | 165.2 | 0 | 113.4 | L1188 A1190 I1191 G1836 L1838 | L1188-K1840 WeakPolarHBondContact O-CE 3.32Å; A1190-K1840 PolarHBondContact O-NZ 3.11Å; I1191-K1840 HydrophobicContact CB-CD 3.74Å; I1191-K1840 HydrophobicContact CD1-CD 4.14Å; I1191-K1840 HydrophobicContact CG1-CD 4.25Å; G1836-K1840 WeakPolarHBondContact O-CB 3.37Å; G1836-K1840 WeakPolarHBondContact O-CD 3.48Å; G1836-K1840 WeakPolarHBondContact O-CG 3.27Å; L1838-K1840 PolarHBondContact O-N 3.35Å |
| 1841 | I | 78.2 | Confident | 78.7 | Confident | 18 Ų | 18 | 31.5 Ų | 31.5 | 9% | 0.092 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -122.3 | -64.9 | -179.5 | -52.8 | -179.9 | 0 | 0 | 0 | 109.3 | I1837 S1844 L1845 S1886 V1887 P1888 | I1837-I1841 HydrophobicContact CG2-CD1 4.4Å; I1837-I1841 WeakPolarHBondContact O-CB 3.37Å; I1837-I1841 PolarHBondContact O-N 2.86Å; I1841-S1844 PolarHBondContact O-N 2.97Å; I1841-L1845 HydrophobicContact CG2-CD1 3.79Å; I1841-L1845 VanDerWaalsContact O-CG 3.31Å; I1841-L1845 WeakPolarHBondContact O-CG 3.5Å; I1841-L1845 PolarHBondContact O-N 2.86Å; I1841-S1886 VanDerWaalsContact CD1-O 3.25Å; I1841-S1886 WeakPolarHBondContact CD1-O 3.25Å; I1841-V1887 HydrophobicContact CG2-CG2 3.95Å; I1841-P1888 HydrophobicContact CD1-CG 4.45Å |
| 1842 | F | 82.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -68.7 | -44.3 | -172.1 | -76.9 | -91.9 | 0 | 0 | 0 | 113.8 | L1733 C1736 H1737 L1740 I1837 L1838 S1844 L1845 V1846 I1891 P1937 | L1733-F1842 HydrophobicContact CD1-CD1 4Å; L1733-F1842 HydrophobicContact CD1-CE1 3.9Å; C1736-F1842 HydrophobicContact CB-CE1 3.6Å; C1736-F1842 HydrophobicContact CB-CZ 3.84Å; H1737-F1842 HydrophobicContact CB-CD1 3.82Å; H1737-F1842 HydrophobicContact CB-CE1 4.36Å; H1737-F1842 HydrophobicContact CB-CG 4.47Å; L1740-F1842 HydrophobicContact CD1-CD2 3.72Å; L1740-F1842 HydrophobicContact CD1-CE1 4.35Å; L1740-F1842 HydrophobicContact CD1-CE2 3.16Å; L1740-F1842 HydrophobicContact CD1-CG 4.48Å; L1740-F1842 HydrophobicContact CD1-CZ 3.5Å; L1740-F1842 VanDerWaalsContact CD1-CZ 3.5Å; I1837-F1842 HydrophobicContact CG2-CD2 4.01Å; I1837-F1842 HydrophobicContact CG2-CE2 3.86Å; L1838-F1842 HydrophobicContact CD2-CB 4.41Å; L1838-F1842 PolarHBondContact O-N 2.89Å; F1842-S1844 VanDerWaalsContact C-N 3.26Å; F1842-S1844 PolarHBondContact O-N 3.09Å; F1842-L1845 PolarHBondContact O-N 3.24Å; F1842-V1846 WeakPolarHBondContact O-CB 3.49Å; F1842-V1846 VanDerWaalsContact O-CG2 3.32Å; F1842-V1846 WeakPolarHBondContact O-CG2 3.3Å; F1842-V1846 PolarHBondContact O-N 2.89Å; F1842-I1891 HydrophobicContact CE2-CD1 4.05Å; F1842-I1891 HydrophobicContact CZ-CD1 4.41Å; F1842-P1937 HydrophobicContact CE1-CB 4.25Å; F1842-P1937 HydrophobicContact CE2-CB 4.4Å; F1842-P1937 HydrophobicContact CZ-CB 3.67Å; F1842-P1937 HydrophobicContact CZ-CG 4.14Å |
| 1843 | N | 72.3 | Confident | 76.2 | Confident | 76 Ų | 76 | 37 Ų | 37 | 41% | 0.406 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61 | -37.6 | -179.4 | -71.4 | -2.1 | 0 | 0 | 0 | 111.7 | L1838 S1847 | L1838-N1843 PolarHBondContact O-N 3.37Å; N1843-S1847 VanDerWaalsContact O-CB 3.25Å; N1843-S1847 WeakPolarHBondContact O-CB 3.49Å; N1843-S1847 PolarHBondContact O-N 3.4Å; N1843-S1847 PolarHBondContact O-OG 3.34Å |
| 1844 | S | 71.4 | Confident | 74.9 | Confident | 44 Ų | 44 | 37.3 Ų | 37.3 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.4 | -57.1 | 172.8 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | I1841 F1842 V1846 S1847 T1848 P1882 | I1841-S1844 PolarHBondContact O-N 2.97Å; F1842-S1844 VanDerWaalsContact C-N 3.26Å; F1842-S1844 PolarHBondContact O-N 3.09Å; S1844-V1846 PolarHBondContact O-N 2.84Å; S1844-S1847 PolarHBondContact O-N 3.04Å; S1844-S1847 PolarHBondContact O-OG 3.2Å; S1844-T1848 PolarHBondContact O-N 3.43Å; S1844-T1848 VanDerWaalsContact O-N 3.08Å; S1844-T1848 PolarHBondContact O-OG1 3.29Å; S1844-P1882 WeakPolarHBondContact OG-CB 3.41Å |
| 1845 | L | 78 | Confident | 73.1 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.2 | -54.2 | -179.6 | -69.8 | 169.2 | 0 | 0 | 0 | 112.8 | L1733 I1841 F1842 S1847 T1848 C1849 I1864 P1882 L1884 V1887 F1941 | L1733-L1845 HydrophobicContact CD1-CD1 4.11Å; L1733-L1845 HydrophobicContact CD2-CB 3.95Å; I1841-L1845 HydrophobicContact CG2-CD1 3.79Å; I1841-L1845 VanDerWaalsContact O-CG 3.31Å; I1841-L1845 WeakPolarHBondContact O-CG 3.5Å; I1841-L1845 PolarHBondContact O-N 2.86Å; F1842-L1845 PolarHBondContact O-N 3.24Å; L1845-S1847 VanDerWaalsContact C-N 3.31Å; L1845-S1847 PolarHBondContact O-N 2.86Å; L1845-T1848 PolarHBondContact O-N 3.22Å; L1845-C1849 WeakPolarHBondContact O-CB 3.31Å; L1845-C1849 PolarHBondContact O-N 2.68Å; L1845-C1849 PolarHBondContact O-SG 2.93Å; L1845-I1864 HydrophobicContact CD2-CD1 3.9Å; L1845-P1882 HydrophobicContact CD2-CB 3.99Å; L1845-P1882 HydrophobicContact CD2-CG 3.73Å; L1845-L1884 HydrophobicContact CD2-CD2 3.6Å; L1845-V1887 HydrophobicContact CD1-CG2 4.06Å; L1845-F1941 HydrophobicContact CD2-CZ 4.33Å |
| 1846 | V | 77.3 | Confident | 71.4 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -36.8 | -174.8 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | L1733 F1842 S1844 R1850 | L1733-V1846 HydrophobicContact CD2-CG2 3.69Å; L1733-V1846 HydrophobicContact CG-CG2 4Å; F1842-V1846 WeakPolarHBondContact O-CB 3.49Å; F1842-V1846 VanDerWaalsContact O-CG2 3.32Å; F1842-V1846 WeakPolarHBondContact O-CG2 3.3Å; F1842-V1846 PolarHBondContact O-N 2.89Å; S1844-V1846 PolarHBondContact O-N 2.84Å; V1846-R1850 WeakPolarHBondContact O-CB 3.31Å; V1846-R1850 VanDerWaalsContact O-CG 3.28Å; V1846-R1850 WeakPolarHBondContact O-CG 3.4Å; V1846-R1850 PolarHBondContact O-N 3.33Å; V1846-R1850 VanDerWaalsContact O-N 3.1Å |
| 1847 | S | 67.5 | Low | 69.6 | Low | 47 Ų | 47 | 48 Ų | 48 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.8 | -47.2 | 176 | 68.8 | 0 | 0 | 0 | 0 | 112.1 | N1843 S1844 L1845 R1850 L1851 | N1843-S1847 VanDerWaalsContact O-CB 3.25Å; N1843-S1847 WeakPolarHBondContact O-CB 3.49Å; N1843-S1847 PolarHBondContact O-N 3.4Å; N1843-S1847 PolarHBondContact O-OG 3.34Å; S1844-S1847 PolarHBondContact O-N 3.04Å; S1844-S1847 PolarHBondContact O-OG 3.2Å; L1845-S1847 VanDerWaalsContact C-N 3.31Å; L1845-S1847 PolarHBondContact O-N 2.86Å; S1847-R1850 PolarHBondContact O-N 3.09Å; S1847-L1851 WeakPolarHBondContact O-CG 3.42Å; S1847-L1851 PolarHBondContact O-N 3.21Å |
| 1848 | T | 68.4 | Low | 68 | Low | 10 Ų | 10 | 49.8 Ų | 49.8 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 174.9 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | S1844 L1845 R1850 L1851 I1852 I1864 | S1844-T1848 PolarHBondContact O-N 3.43Å; S1844-T1848 VanDerWaalsContact O-N 3.08Å; S1844-T1848 PolarHBondContact O-OG1 3.29Å; L1845-T1848 PolarHBondContact O-N 3.22Å; T1848-R1850 PolarHBondContact O-N 3.02Å; T1848-L1851 PolarHBondContact O-N 3.38Å; T1848-I1852 HydrophobicContact CG2-CD1 3.9Å; T1848-I1852 WeakPolarHBondContact O-CG1 3.46Å; T1848-I1852 PolarHBondContact O-N 3.35Å; T1848-I1852 VanDerWaalsContact O-N 3.08Å; T1848-I1864 HydrophobicContact CG2-CG1 4.41Å |
| 1849 | C | 72.2 | Confident | 66.7 | Low | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 180 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | L1728 L1730 L1845 I1852 Y1853 L1862 | L1728-C1849 HydrophobicContact CD2-CB 4.47Å; L1730-C1849 HydrophobicContact CD1-CB 3.77Å; L1845-C1849 WeakPolarHBondContact O-CB 3.31Å; L1845-C1849 PolarHBondContact O-N 2.68Å; L1845-C1849 PolarHBondContact O-SG 2.93Å; C1849-I1852 PolarHBondContact O-N 3.21Å; C1849-Y1853 WeakPolarHBondContact O-CB 3.32Å; C1849-Y1853 PolarHBondContact O-N 2.86Å; C1849-L1862 HydrophobicContact CB-CD2 4.27Å |
| 1850 | R | 68.2 | Low | 66 | Low | 111 Ų | 111 | 63.9 Ų | 63.9 | 42% | 0.419 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 177.5 | -74.2 | 175.1 | -173.6 | -174.3 | 3.8 | 111.8 | V1846 S1847 T1848 Y1853 I1854 | V1846-R1850 WeakPolarHBondContact O-CB 3.31Å; V1846-R1850 VanDerWaalsContact O-CG 3.28Å; V1846-R1850 WeakPolarHBondContact O-CG 3.4Å; V1846-R1850 PolarHBondContact O-N 3.33Å; V1846-R1850 VanDerWaalsContact O-N 3.1Å; S1847-R1850 PolarHBondContact O-N 3.09Å; T1848-R1850 PolarHBondContact O-N 3.02Å; R1850-Y1853 PolarHBondContact O-N 3.06Å; R1850-I1854 WeakPolarHBondContact O-CD1 3.43Å; R1850-I1854 WeakPolarHBondContact O-CG1 3.35Å; R1850-I1854 PolarHBondContact O-N 3.45Å |
| 1851 | L | 62.5 | Low | 66 | Low | 21 Ų | 21 | 65 Ų | 65 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 177.5 | -71.4 | 175.1 | 0 | 0 | 0 | 112.4 | V1268 Q1498 V1501 S1847 T1848 | V1268-L1851 HydrophobicContact CG1-CD2 3.84Å; Q1498-L1851 PolarHBondContact NE2-O 3.27Å; V1501-L1851 HydrophobicContact CG2-CD1 3.7Å; S1847-L1851 WeakPolarHBondContact O-CG 3.42Å; S1847-L1851 PolarHBondContact O-N 3.21Å; T1848-L1851 PolarHBondContact O-N 3.38Å |
| 1852 | I | 63.7 | Low | 66.1 | Low | 34 Ų | 34 | 65.2 Ų | 65.2 | 17% | 0.174 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 175.4 | -62.2 | 166.7 | 0 | 0 | 0 | 110.6 | T1848 C1849 I1854 S1855 S1856 L1862 I1864 | T1848-I1852 HydrophobicContact CG2-CD1 3.9Å; T1848-I1852 WeakPolarHBondContact O-CG1 3.46Å; T1848-I1852 PolarHBondContact O-N 3.35Å; T1848-I1852 VanDerWaalsContact O-N 3.08Å; C1849-I1852 PolarHBondContact O-N 3.21Å; I1852-I1854 VanDerWaalsContact C-N 3.28Å; I1852-I1854 PolarHBondContact O-N 2.88Å; I1852-S1855 WeakPolarHBondContact O-CA 3.3Å; I1852-S1855 PolarHBondContact O-N 3.48Å; I1852-S1855 PolarHBondContact O-OG 2.97Å; I1852-S1856 PolarHBondContact O-N 3.47Å; I1852-L1862 HydrophobicContact CB-CD1 3.92Å; I1852-L1862 HydrophobicContact CG2-CD1 3.51Å; I1852-I1864 HydrophobicContact CD1-CG1 4.42Å |
| 1853 | Y | 65.9 | Low | 66.2 | Low | 150 Ų | 150 | 68.5 Ų | 68.5 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.5 | -35.2 | -176.9 | -172.9 | -93.4 | 0 | 0 | 0 | 113.5 | L1730 C1849 R1850 S1855 S1856 | L1730-Y1853 HydrophobicContact CD2-CG 4.49Å; C1849-Y1853 WeakPolarHBondContact O-CB 3.32Å; C1849-Y1853 PolarHBondContact O-N 2.86Å; R1850-Y1853 PolarHBondContact O-N 3.06Å; Y1853-S1855 VanDerWaalsContact C-N 3.25Å; Y1853-S1855 PolarHBondContact O-N 2.95Å; Y1853-S1856 PolarHBondContact O-OG 2.83Å |
| 1854 | I | 59.7 | Low | 66.7 | Low | 94 Ų | 94 | 64.9 Ų | 64.9 | 48% | 0.482 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72.6 | -20.1 | 177.2 | -58.4 | 161.2 | 0 | 0 | 0 | 111.9 | Y1510 R1850 I1852 | Y1510-I1854 HydrophobicContact CE2-CG2 4.45Å; Y1510-I1854 WeakPolarHBondContact OH-CD1 3.33Å; Y1510-I1854 VanDerWaalsContact OH-CG2 3.24Å; Y1510-I1854 WeakPolarHBondContact OH-CG2 3.33Å; R1850-I1854 WeakPolarHBondContact O-CD1 3.43Å; R1850-I1854 WeakPolarHBondContact O-CG1 3.35Å; R1850-I1854 PolarHBondContact O-N 3.45Å; I1852-I1854 VanDerWaalsContact C-N 3.28Å; I1852-I1854 PolarHBondContact O-N 2.88Å |
| 1855 | S | 51.8 | Low | 67 | Low | 64 Ų | 64 | 63.3 Ų | 63.3 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -93.6 | -13 | 178.2 | 66 | 0 | 0 | 0 | 0 | 115.1 | I1852 Y1853 T1857 | I1852-S1855 WeakPolarHBondContact O-CA 3.3Å; I1852-S1855 PolarHBondContact O-N 3.48Å; I1852-S1855 PolarHBondContact O-OG 2.97Å; Y1853-S1855 VanDerWaalsContact C-N 3.25Å; Y1853-S1855 PolarHBondContact O-N 2.95Å; S1855-T1857 PolarHBondContact O-N 2.82Å |
| 1856 | S | 53.9 | Low | 67.1 | Low | 58 Ų | 58 | 63.2 Ų | 63.2 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | trans | -86.2 | 108.2 | -177.5 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | I1852 Y1853 G1858 | I1852-S1856 PolarHBondContact O-N 3.47Å; Y1853-S1856 PolarHBondContact O-OG 2.83Å; S1856-G1858 PolarHBondContact O-N 3.34Å | ||
| 1857 | T | 46.4 | Very low | 67.3 | Low | 145 Ų | 145 | 63.1 Ų | 63.1 | 89% | 0.89 | 34% | 0.344 | S | S | * | . | trans | -89.4 | 90.2 | 179.6 | 56.3 | 0 | 0 | 0 | 0 | 113 | S1855 | S1855-T1857 PolarHBondContact O-N 2.82Š| ||
| 1858 | G | 50.2 | Low | 68.3 | Low | 54 Ų | 54 | 61.3 Ų | 61.3 | 56% | 0.557 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 89.2 | 134.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S1856 Q1860 | S1856-G1858 PolarHBondContact O-N 3.34Å; G1858-Q1860 PolarHBondContact O-N 2.96Å |
| 1859 | D | 59.2 | Low | 69.1 | Low | 180 Ų | 180 | 62.4 Ų | 62.4 | 96% | 0.963 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 44.7 | -11.1 | 165.1 | -68.8 | 6.5 | 0 | 0 | 0 | 121.7 | ||
| 1860 | Q | 64.1 | Low | 69.8 | Low | 170 Ų | 170 | 62.5 Ų | 62.5 | 79% | 0.794 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -86 | 140.3 | 177.8 | -63.5 | -153.9 | -4.3 | 0 | 0 | 112.1 | G1858 | G1858-Q1860 PolarHBondContact O-N 2.96Š|
| 1861 | P | 72.4 | Confident | 70.7 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 49% | 0.494 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 137.9 | -178.6 | 28.4 | -35.1 | 0 | 0 | 0 | 111.3 | I1727 R1863 | I1727-P1861 HydrophobicContact CD1-CB 4.4Å; I1727-P1861 HydrophobicContact CD1-CG 3.98Å; I1727-P1861 HydrophobicContact CG1-CB 4.43Å; I1727-P1861 HydrophobicContact CG1-CG 4.29Å; I1727-P1861 HydrophobicContact CG2-CB 4Å; P1861-R1863 PolarHBondContact O-N 3.5Å; P1861-R1863 VanDerWaalsContact O-N 3.14Å |
| 1862 | L | 80.2 | Confident | 72 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -57 | 116.6 | 177.7 | 179.7 | 65.8 | 0 | 0 | 0 | 110.6 | I1727 L1728 L1730 C1849 I1852 | I1727-L1862 WeakPolarHBondContact CA-O 3.49Å; L1728-L1862 HydrophobicContact CD2-CD2 4.09Å; L1728-L1862 PolarHBondContact N-O 2.81Å; L1730-L1862 HydrophobicContact CB-CD2 4.03Å; L1730-L1862 HydrophobicContact CD2-CD2 4.39Å; C1849-L1862 HydrophobicContact CB-CD2 4.27Å; I1852-L1862 HydrophobicContact CB-CD1 3.92Å; I1852-L1862 HydrophobicContact CG2-CD1 3.51Å |
| 1863 | R | 84.3 | Confident | 72.9 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 26% | 0.26 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.7 | 173.5 | -77.2 | 175.7 | 169.7 | -95.8 | -5.4 | 110.4 | N1724 G1725 F1726 I1727 P1861 E2176 | N1724-R1863 WeakPolarHBondContact O-CD 3.4Å; N1724-R1863 PolarHBondContact O-NH1 3.37Å; G1725-R1863 PolarHBondContact O-NH1 3.35Å; F1726-R1863 CarbonylContact O-C 3.49Å; F1726-R1863 WeakPolarHBondContact O-CA 3.47Å; I1727-R1863 HydrophobicContact CG1-CG 3.65Å; P1861-R1863 PolarHBondContact O-N 3.5Å; P1861-R1863 VanDerWaalsContact O-N 3.14Å; R1863-E2176 IonicContact CZ-OE1 3.52Å; R1863-E2176 IonicContact CZ-OE2 2.91Å; R1863-E2176 IonicContact NH1-OE1 3.69Å; R1863-E2176 PolarHBondContact NH1-OE1 3.37Å; R1863-E2176 IonicContact NH1-OE2 3.17Å; R1863-E2176 PolarHBondContact NH1-OE2 2.86Å; R1863-E2176 VanDerWaalsContact NH2-CD 3.27Å; R1863-E2176 IonicContact NH2-OE1 2.8Å; R1863-E2176 PolarHBondContact NH2-OE1 2.84Å; R1863-E2176 IonicContact NH2-OE2 3.44Å; R1863-E2176 PolarHBondContact NH2-OE2 3.4Å |
| 1864 | I | 83.2 | Confident | 73.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122 | 173.1 | -160.6 | 174.9 | 0 | 0 | 0 | 109.4 | G1725 F1726 L1728 L1845 T1848 I1852 P1866 P1882 L1884 F1941 | G1725-I1864 WeakPolarHBondContact CA-O 3.43Å; F1726-I1864 HydrophobicContact CB-CG2 4.36Å; F1726-I1864 PolarHBondContact N-O 2.89Å; F1726-I1864 PolarHBondContact O-N 2.95Å; L1728-I1864 HydrophobicContact CB-CG2 4.31Å; L1728-I1864 HydrophobicContact CD1-CD1 4.34Å; L1728-I1864 HydrophobicContact CD1-CG2 4.15Å; L1845-I1864 HydrophobicContact CD2-CD1 3.9Å; T1848-I1864 HydrophobicContact CG2-CG1 4.41Å; I1852-I1864 HydrophobicContact CD1-CG1 4.42Å; I1864-P1866 VanDerWaalsContact O-CD 3.31Å; I1864-P1866 WeakPolarHBondContact O-CD 3.34Å; I1864-P1882 HydrophobicContact CD1-CG 3.55Å; I1864-P1882 HydrophobicContact CG1-CG 4.18Å; I1864-L1884 HydrophobicContact CG2-CD1 4.32Å; I1864-L1884 HydrophobicContact CG2-CD2 4.48Å; I1864-F1941 HydrophobicContact CG2-CE1 4.04Å |
| 1865 | S | 79 | Confident | 75.1 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 8% | 0.077 | 28% | 0.281 | C | S | . | . | trans | -104.7 | 96.8 | 179 | -69.4 | 0 | 0 | 0 | 0 | 109.6 | P1495 E1722 | P1495-S1865 WeakPolarHBondContact CD-O 3.33Å; P1495-S1865 WeakPolarHBondContact CG-O 3.5Å; E1722-S1865 WeakPolarHBondContact O-CB 3.35Å; E1722-S1865 PolarHBondContact O-OG 3.41Å | ||
| 1866 | P | 79.4 | Confident | 76.9 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -65 | 145.4 | 171 | 29.6 | -35.5 | 0 | 0 | 0 | 110.5 | E1722 I1864 Y1868 M1881 P1882 L1884 | E1722-P1866 WeakPolarHBondContact CG-O 3.34Å; I1864-P1866 VanDerWaalsContact O-CD 3.31Å; I1864-P1866 WeakPolarHBondContact O-CD 3.34Å; P1866-Y1868 HydrophobicContact CG-CE2 3.77Å; P1866-Y1868 WeakPolarHBondContact CG-OH 3.39Å; P1866-M1881 WeakPolarHBondContact CA-O 3.26Å; P1866-P1882 WeakPolarHBondContact CB-O 3.41Å; P1866-L1884 HydrophobicContact CB-CD1 4.37Å; P1866-L1884 HydrophobicContact CB-CG 4.08Å; P1866-L1884 HydrophobicContact CG-CD1 3.82Å; P1866-L1884 HydrophobicContact CG-CG 4.06Å |
| 1867 | T | 81.9 | Confident | 78.6 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 133.6 | 160.5 | 57.7 | 0 | 0 | 0 | 0 | 109.8 | P1495 Q1642 S1879 I1880 M1881 | P1495-T1867 HydrophobicContact CB-CG2 4.47Å; P1495-T1867 HydrophobicContact CG-CG2 4.26Å; Q1642-T1867 HydrophobicContact CG-CG2 4.15Å; T1867-S1879 CarbonylContact O-C 3.43Å; T1867-S1879 WeakPolarHBondContact O-CA 3.32Å; T1867-I1880 PolarHBondContact O-N 3.31Å; T1867-M1881 HydrophobicContact CG2-CB 4.32Å; T1867-M1881 PolarHBondContact N-O 3.29Å; T1867-M1881 VanDerWaalsContact N-O 3.13Å; T1867-M1881 VanDerWaalsContact OG1-CB 3.29Å; T1867-M1881 WeakPolarHBondContact OG1-CB 3.45Å; T1867-M1881 WeakPolarHBondContact OG1-CG 3.22Å; T1867-M1881 PolarHBondContact OG1-N 3.04Å; T1867-M1881 VanDerWaalsContact OG1-N 3.11Å |
| 1868 | Y | 87 | Confident | 80.7 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 159.5 | 169.1 | -64.5 | -79.2 | 0 | 0 | 0 | 111.2 | K1573 L1718 M1721 E1722 P1866 I1877 I1878 V2166 L2167 | K1573-Y1868 VanDerWaalsContact NZ-C 3.3Å; K1573-Y1868 PolarHBondContact NZ-O 3.14Å; L1718-Y1868 HydrophobicContact CD2-CD2 4.13Å; L1718-Y1868 HydrophobicContact CD2-CG 4.03Å; M1721-Y1868 HydrophobicContact CE-CE1 4.33Å; M1721-Y1868 HydrophobicContact CE-CE2 3.98Å; M1721-Y1868 WeakPolarHBondContact CE-OH 3.22Å; M1721-Y1868 HydrophobicContact CG-CE2 3.81Å; M1721-Y1868 HydrophobicContact SD-CD2 4.23Å; M1721-Y1868 HydrophobicContact SD-CE2 3.75Å; E1722-Y1868 HydrophobicContact CG-CD2 3.67Å; E1722-Y1868 HydrophobicContact CG-CE2 4.22Å; E1722-Y1868 PolarHBondContact OE1-N 3.01Å; P1866-Y1868 HydrophobicContact CG-CE2 3.77Å; P1866-Y1868 WeakPolarHBondContact CG-OH 3.39Å; Y1868-I1877 HydrophobicContact CD1-CG2 4.08Å; Y1868-I1877 HydrophobicContact CG-CG2 4.33Å; Y1868-I1878 CarbonylContact C-O 3.54Å; Y1868-I1878 WeakPolarHBondContact CA-O 3.22Å; Y1868-V2166 PolarHBondContact OH-O 2.72Å; Y1868-L2167 HydrophobicContact CE1-CD1 4.4Å; Y1868-L2167 WeakPolarHBondContact OH-CD1 3.06Å |
| 1869 | D | 85.1 | Confident | 82.3 | Confident | 33 Ų | 33 | 37.4 Ų | 37.4 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 147.9 | 172.7 | -172.1 | 5.3 | 0 | 0 | 0 | 109.9 | Y1871 I1877 I1878 I1880 | D1869-Y1871 WeakPolarHBondContact OD1-CB 3.32Å; D1869-Y1871 WeakPolarHBondContact OD1-CD2 3.46Å; D1869-Y1871 PolarHBondContact OD1-N 3.3Å; D1869-I1877 CarbonylContact O-C 3.16Å; D1869-I1877 VanDerWaalsContact O-CA 3.3Å; D1869-I1877 WeakPolarHBondContact O-CA 3.4Å; D1869-I1878 HydrophobicContact CB-CD1 4.43Å; D1869-I1878 HydrophobicContact CB-CG1 3.93Å; D1869-I1878 PolarHBondContact N-O 2.86Å; D1869-I1878 PolarHBondContact O-N 2.92Å; D1869-I1880 HydrophobicContact CB-CD1 3.59Å; D1869-I1880 HydrophobicContact CB-CG1 4.23Å |
| 1870 | V | 87.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | trans | -114.5 | -9.9 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 113.5 | L1598 W1601 Q1715 L1718 T1872 I1877 | L1598-V1870 HydrophobicContact CD1-CG2 3.87Å; W1601-V1870 WeakPolarHBondContact CZ2-O 3.12Å; Q1715-V1870 VanDerWaalsContact NE2-CG1 3.3Å; Q1715-V1870 VanDerWaalsContact NE2-CG2 3.29Å; L1718-V1870 HydrophobicContact CD1-CG1 3.73Å; V1870-T1872 PolarHBondContact O-N 2.77Å; V1870-I1877 HydrophobicContact CG1-CG1 4.23Å; V1870-I1877 HydrophobicContact CG1-CG2 4.39Å | ||
| 1871 | Y | 88.1 | Confident | 83.5 | Confident | 28 Ų | 28 | 26.3 Ų | 26.3 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | trans | -71.4 | 37.1 | -173.3 | -62.1 | -62.6 | 0 | 0 | 0 | 113.8 | L1598 W1601 G1608 Q1609 D1869 | L1598-Y1871 HydrophobicContact CD1-CE1 4.26Å; W1601-Y1871 HydrophobicContact CB-CD1 3.7Å; W1601-Y1871 HydrophobicContact CB-CE1 4.06Å; W1601-Y1871 AromaticContact CD1-CD1 3.99Å; W1601-Y1871 HydrophobicContact CD2-CD1 4.06Å; W1601-Y1871 AromaticContact CG-CD1 3.61Å; W1601-Y1871 HydrophobicContact CG-CD1 3.61Å; W1601-Y1871 HydrophobicContact CG-CE1 4.36Å; G1608-Y1871 WeakPolarHBondContact CA-O 3.45Å; Q1609-Y1871 HydrophobicContact CB-CD1 4.46Å; Q1609-Y1871 HydrophobicContact CB-CD2 3.68Å; Q1609-Y1871 HydrophobicContact CB-CE2 4.11Å; Q1609-Y1871 HydrophobicContact CB-CG 3.92Å; Q1609-Y1871 VanDerWaalsContact CD-CE2 3.41Å; Q1609-Y1871 HydrophobicContact CG-CD2 3.72Å; Q1609-Y1871 HydrophobicContact CG-CE1 4.47Å; Q1609-Y1871 HydrophobicContact CG-CE2 3.59Å; Q1609-Y1871 HydrophobicContact CG-CG 4.28Å; D1869-Y1871 WeakPolarHBondContact OD1-CB 3.32Å; D1869-Y1871 WeakPolarHBondContact OD1-CD2 3.46Å; D1869-Y1871 PolarHBondContact OD1-N 3.3Å | ||
| 1872 | T | 88.1 | Confident | 83.6 | Confident | 25 Ų | 25 | 22.8 Ų | 22.8 | 15% | 0.153 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -95.2 | 149 | 179 | 75 | 0 | 0 | 0 | 0 | 111.1 | W1601 V1870 T1874 G1875 R1876 I1878 | W1601-T1872 WeakPolarHBondContact CZ2-O 3.46Å; W1601-T1872 PolarHBondContact NE1-O 2.97Å; V1870-T1872 PolarHBondContact O-N 2.77Å; T1872-T1874 PolarHBondContact O-N 3.36Å; T1872-G1875 PolarHBondContact O-N 2.83Å; T1872-G1875 PolarHBondContact OG1-N 2.87Å; T1872-R1876 VanDerWaalsContact CG2-O 3.27Å; T1872-R1876 WeakPolarHBondContact CG2-O 3.43Å; T1872-R1876 PolarHBondContact OG1-N 3.35Å; T1872-R1876 PolarHBondContact OG1-O 3.48Å; T1872-I1878 HydrophobicContact CG2-CD1 3.83Å; T1872-I1878 HydrophobicContact CG2-CG1 3.97Å; T1872-I1878 HydrophobicContact CG2-CG2 4Å |
| 1873 | A | 84 | Confident | 83.8 | Confident | 22 Ų | 22 | 24.1 Ų | 24.1 | 18% | 0.182 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 0.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | P1605 R2088 N2133 | P1605-A1873 HydrophobicContact CB-CB 4.47Å; P1605-A1873 WeakPolarHBondContact O-CA 3.44Å; P1605-A1873 WeakPolarHBondContact O-CB 3.25Å; A1873-R2088 WeakPolarHBondContact O-CD 3.23Å; A1873-R2088 PolarHBondContact O-NH1 2.84Å; A1873-R2088 VanDerWaalsContact O-NH1 3.16Å; A1873-N2133 PolarHBondContact O-OD1 2.92Å |
| 1874 | T | 85.8 | Confident | 83.9 | Confident | 22 Ų | 22 | 20.9 Ų | 20.9 | 14% | 0.135 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -7.4 | 169.4 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | T1872 R1876 N2133 Q2136 G2137 | T1872-T1874 PolarHBondContact O-N 3.36Å; T1874-R1876 PolarHBondContact O-N 3.02Å; T1874-R1876 WeakPolarHBondContact OG1-CB 3.45Å; T1874-R1876 WeakPolarHBondContact OG1-CG 3.22Å; T1874-R1876 PolarHBondContact OG1-N 3.34Å; T1874-N2133 VanDerWaalsContact CG2-OD1 3.31Å; T1874-N2133 WeakPolarHBondContact CG2-OD1 3.28Å; T1874-Q2136 HydrophobicContact CG2-CB 4.21Å; T1874-G2137 VanDerWaalsContact O-CA 3.22Å; T1874-G2137 WeakPolarHBondContact O-CA 3.27Å |
| 1875 | G | 86 | Confident | 84.1 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | trans | 78 | -4.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1872 S2140 K2144 | T1872-G1875 PolarHBondContact O-N 2.83Å; T1872-G1875 PolarHBondContact OG1-N 2.87Å; G1875-S2140 PolarHBondContact O-OG 3.26Å; G1875-S2140 VanDerWaalsContact O-OG 3.06Å; G1875-K2144 WeakPolarHBondContact O-CE 3.49Å; G1875-K2144 PolarHBondContact O-NZ 3.39Å | ||
| 1876 | R | 88.7 | Confident | 84.4 | Confident | 46 Ų | 46 | 23.6 Ų | 23.6 | 17% | 0.174 | 13% | 0.127 | C | C | . | . | trans | -57.7 | 136.1 | 175.2 | -78.8 | -176 | 172.2 | -163.4 | 3.4 | 111.6 | T1872 T1874 E1958 S2140 H2170 | T1872-R1876 VanDerWaalsContact CG2-O 3.27Å; T1872-R1876 WeakPolarHBondContact CG2-O 3.43Å; T1872-R1876 PolarHBondContact OG1-N 3.35Å; T1872-R1876 PolarHBondContact OG1-O 3.48Å; T1874-R1876 PolarHBondContact O-N 3.02Å; T1874-R1876 WeakPolarHBondContact OG1-CB 3.45Å; T1874-R1876 WeakPolarHBondContact OG1-CG 3.22Å; T1874-R1876 PolarHBondContact OG1-N 3.34Å; R1876-E1958 IonicContact CZ-OE1 2.7Å; R1876-E1958 IonicContact NH2-OE1 3.58Å; R1876-E1958 PolarHBondContact NH2-OE1 2.89Å; R1876-S2140 VanDerWaalsContact CA-OG 3.27Å; R1876-S2140 WeakPolarHBondContact CA-OG 3.16Å; R1876-S2140 PolarHBondContact N-OG 3.44Å; R1876-H2170 PolarHBondContact NH1-NE2 3.24Å | ||
| 1877 | I | 90.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -79.9 | 124.1 | 171.9 | -42.4 | 173.5 | 0 | 0 | 0 | 109.1 | L1718 Y1868 D1869 V1870 Q1885 K2144 M2147 | L1718-I1877 HydrophobicContact CD1-CD1 4.32Å; L1718-I1877 HydrophobicContact CD1-CG2 3.87Å; L1718-I1877 HydrophobicContact CD2-CD1 4.27Å; L1718-I1877 HydrophobicContact CD2-CG2 4Å; Y1868-I1877 HydrophobicContact CD1-CG2 4.08Å; Y1868-I1877 HydrophobicContact CG-CG2 4.33Å; D1869-I1877 CarbonylContact O-C 3.16Å; D1869-I1877 VanDerWaalsContact O-CA 3.3Å; D1869-I1877 WeakPolarHBondContact O-CA 3.4Å; V1870-I1877 HydrophobicContact CG1-CG1 4.23Å; V1870-I1877 HydrophobicContact CG1-CG2 4.39Å; I1877-Q1885 PolarHBondContact O-NE2 2.95Å; I1877-K2144 HydrophobicContact CD1-CG 4.08Å; I1877-K2144 HydrophobicContact CG1-CG 4.47Å; I1877-M2147 HydrophobicContact CD1-CE 3.79Å; I1877-M2147 HydrophobicContact CD1-SD 3.75Å | ||
| 1878 | I | 89 | Confident | 84.8 | Confident | 56 Ų | 56 | 24 Ų | 24 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 148.8 | 176.7 | 59.6 | 173 | 0 | 0 | 0 | 111.5 | Y1868 D1869 T1872 I1880 Q1885 | Y1868-I1878 CarbonylContact C-O 3.54Å; Y1868-I1878 WeakPolarHBondContact CA-O 3.22Å; D1869-I1878 HydrophobicContact CB-CD1 4.43Å; D1869-I1878 HydrophobicContact CB-CG1 3.93Å; D1869-I1878 PolarHBondContact N-O 2.86Å; D1869-I1878 PolarHBondContact O-N 2.92Å; T1872-I1878 HydrophobicContact CG2-CD1 3.83Å; T1872-I1878 HydrophobicContact CG2-CG1 3.97Å; T1872-I1878 HydrophobicContact CG2-CG2 4Å; I1878-I1880 HydrophobicContact CD1-CD1 4.1Å; I1878-I1880 HydrophobicContact CD1-CG1 4.1Å; I1878-I1880 HydrophobicContact CG1-CD1 4.46Å; I1878-I1880 HydrophobicContact CG1-CG1 4.2Å; I1878-Q1885 VanDerWaalsContact CA-OE1 3.26Å |
| 1879 | S | 85.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 133.5 | 165.7 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | T1867 N1883 L1884 Q1885 | T1867-S1879 CarbonylContact O-C 3.43Å; T1867-S1879 WeakPolarHBondContact O-CA 3.32Å; S1879-N1883 WeakPolarHBondContact O-CA 3.34Å; S1879-N1883 WeakPolarHBondContact O-CB 3.48Å; S1879-N1883 PolarHBondContact O-OD1 2.81Å; S1879-N1883 WeakPolarHBondContact OG-CA 3.29Å; S1879-N1883 PolarHBondContact OG-OD1 3.29Å; S1879-L1884 PolarHBondContact OG-N 2.94Å; S1879-L1884 VanDerWaalsContact OG-N 3.14Å; S1879-Q1885 WeakPolarHBondContact OG-CG 3.3Å; S1879-Q1885 PolarHBondContact OG-N 3.42Å; S1879-Q1885 PolarHBondContact OG-OE1 3.04Å |
| 1880 | I | 76.1 | Confident | 84.7 | Confident | 75 Ų | 75 | 28.3 Ų | 28.3 | 39% | 0.385 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -52.1 | -175.4 | -53 | -175.6 | 0 | 0 | 0 | 111.8 | T1867 D1869 I1878 P1882 N1883 | T1867-I1880 PolarHBondContact O-N 3.31Å; D1869-I1880 HydrophobicContact CB-CD1 3.59Å; D1869-I1880 HydrophobicContact CB-CG1 4.23Å; I1878-I1880 HydrophobicContact CD1-CD1 4.1Å; I1878-I1880 HydrophobicContact CD1-CG1 4.1Å; I1878-I1880 HydrophobicContact CG1-CD1 4.46Å; I1878-I1880 HydrophobicContact CG1-CG1 4.2Å; I1880-P1882 CarbonylContact O-C 2.94Å; I1880-P1882 WeakPolarHBondContact O-CA 3.28Å; I1880-N1883 PolarHBondContact O-N 2.85Å |
| 1881 | M | 72.3 | Confident | 84.7 | Confident | 42 Ų | 42 | 28.5 Ų | 28.5 | 21% | 0.207 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 88.4 | -168.3 | -48.4 | -174.4 | 83.9 | 0 | 0 | 112.6 | P1495 V1501 P1866 T1867 | P1495-M1881 WeakPolarHBondContact CG-O 3.37Å; V1501-M1881 WeakPolarHBondContact O-CE 3.4Å; P1866-M1881 WeakPolarHBondContact CA-O 3.26Å; T1867-M1881 HydrophobicContact CG2-CB 4.32Å; T1867-M1881 PolarHBondContact N-O 3.29Å; T1867-M1881 VanDerWaalsContact N-O 3.13Å; T1867-M1881 VanDerWaalsContact OG1-CB 3.29Å; T1867-M1881 WeakPolarHBondContact OG1-CB 3.45Å; T1867-M1881 WeakPolarHBondContact OG1-CG 3.22Å; T1867-M1881 PolarHBondContact OG1-N 3.04Å; T1867-M1881 VanDerWaalsContact OG1-N 3.11Å |
| 1882 | P | 74.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.7 | 165 | -10.9 | 34.4 | -32.4 | 0 | 0 | 0 | 112.2 | S1844 L1845 I1864 P1866 I1880 L1884 | S1844-P1882 WeakPolarHBondContact OG-CB 3.41Å; L1845-P1882 HydrophobicContact CD2-CB 3.99Å; L1845-P1882 HydrophobicContact CD2-CG 3.73Å; I1864-P1882 HydrophobicContact CD1-CG 3.55Å; I1864-P1882 HydrophobicContact CG1-CG 4.18Å; P1866-P1882 WeakPolarHBondContact CB-O 3.41Å; I1880-P1882 CarbonylContact O-C 2.94Å; I1880-P1882 WeakPolarHBondContact O-CA 3.28Å; P1882-L1884 HydrophobicContact CG-CD2 4.08Å; P1882-L1884 PolarHBondContact O-N 2.9Å |
| 1883 | N | 83.3 | Confident | 84.4 | Confident | 51 Ų | 51 | 29.4 Ų | 29.4 | 27% | 0.273 | 16% | 0.159 | S | C | . | . | trans | -79.4 | 83.6 | 178.5 | -173.1 | -4.8 | 0 | 0 | 0 | 112.3 | S1879 I1880 Q1885 S1886 | S1879-N1883 WeakPolarHBondContact O-CA 3.34Å; S1879-N1883 WeakPolarHBondContact O-CB 3.48Å; S1879-N1883 PolarHBondContact O-OD1 2.81Å; S1879-N1883 WeakPolarHBondContact OG-CA 3.29Å; S1879-N1883 PolarHBondContact OG-OD1 3.29Å; I1880-N1883 PolarHBondContact O-N 2.85Å; N1883-Q1885 VanDerWaalsContact C-N 3.27Å; N1883-Q1885 PolarHBondContact O-N 2.88Å; N1883-Q1885 WeakPolarHBondContact OD1-CB 3.43Å; N1883-Q1885 PolarHBondContact OD1-N 3.15Å; N1883-S1886 PolarHBondContact O-N 3.29Å; N1883-S1886 PolarHBondContact O-OG 2.93Å; N1883-S1886 PolarHBondContact OD1-N 2.8Å | ||
| 1884 | L | 87.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -62 | -32.3 | 177.4 | -62.8 | -164.7 | 0 | 0 | 0 | 113.2 | F1726 L1845 I1864 P1866 S1879 P1882 S1886 V1887 F1941 L2167 W2217 | F1726-L1884 HydrophobicContact CD1-CD1 4.19Å; L1845-L1884 HydrophobicContact CD2-CD2 3.6Å; I1864-L1884 HydrophobicContact CG2-CD1 4.32Å; I1864-L1884 HydrophobicContact CG2-CD2 4.48Å; P1866-L1884 HydrophobicContact CB-CD1 4.37Å; P1866-L1884 HydrophobicContact CB-CG 4.08Å; P1866-L1884 HydrophobicContact CG-CD1 3.82Å; P1866-L1884 HydrophobicContact CG-CG 4.06Å; S1879-L1884 PolarHBondContact OG-N 2.94Å; S1879-L1884 VanDerWaalsContact OG-N 3.14Å; P1882-L1884 HydrophobicContact CG-CD2 4.08Å; P1882-L1884 PolarHBondContact O-N 2.9Å; L1884-S1886 PolarHBondContact O-N 2.82Å; L1884-S1886 VanDerWaalsContact O-N 3.16Å; L1884-V1887 WeakPolarHBondContact O-CB 3.45Å; L1884-V1887 WeakPolarHBondContact O-CG2 3.33Å; L1884-V1887 PolarHBondContact O-N 3.08Å; L1884-V1887 VanDerWaalsContact O-N 3.15Å; L1884-F1941 HydrophobicContact CD1-CE1 4.06Å; L1884-F1941 HydrophobicContact CD2-CE1 3.68Å; L1884-F1941 HydrophobicContact CD2-CZ 3.89Å; L1884-F1941 HydrophobicContact CG-CE1 4.48Å; L1884-L2167 HydrophobicContact CB-CD1 3.82Å; L1884-L2167 HydrophobicContact CB-CD2 4.25Å; L1884-L2167 HydrophobicContact CD1-CD1 4.46Å; L1884-W2217 WeakPolarHBondContact O-CH2 3.27Å |
| 1885 | Q | 87 | Confident | 84.2 | Confident | 26 Ų | 26 | 28.4 Ų | 28.4 | 12% | 0.121 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -61.2 | -23.8 | 178.3 | -65 | 167 | -28.6 | 0 | 0 | 113.1 | I1877 I1878 S1879 N1883 V1887 L2167 H2168 | I1877-Q1885 PolarHBondContact O-NE2 2.95Å; I1878-Q1885 VanDerWaalsContact CA-OE1 3.26Å; S1879-Q1885 WeakPolarHBondContact OG-CG 3.3Å; S1879-Q1885 PolarHBondContact OG-N 3.42Å; S1879-Q1885 PolarHBondContact OG-OE1 3.04Å; N1883-Q1885 VanDerWaalsContact C-N 3.27Å; N1883-Q1885 PolarHBondContact O-N 2.88Å; N1883-Q1885 WeakPolarHBondContact OD1-CB 3.43Å; N1883-Q1885 PolarHBondContact OD1-N 3.15Å; Q1885-V1887 VanDerWaalsContact C-N 3.34Å; Q1885-L2167 HydrophobicContact CG-CD1 4.33Å; Q1885-H2168 WeakPolarHBondContact CG-O 3.15Å; Q1885-H2168 PolarHBondContact NE2-ND1 3.4Å; Q1885-H2168 PolarHBondContact NE2-O 3.15Å |
| 1886 | S | 84.2 | Confident | 83.7 | Confident | 42 Ų | 42 | 31 Ų | 31 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -80.3 | -8.1 | 179 | 70.5 | 0 | 0 | 0 | 0 | 114.9 | I1841 N1883 L1884 P1888 | I1841-S1886 VanDerWaalsContact CD1-O 3.25Å; I1841-S1886 WeakPolarHBondContact CD1-O 3.25Å; N1883-S1886 PolarHBondContact O-N 3.29Å; N1883-S1886 PolarHBondContact O-OG 2.93Å; N1883-S1886 PolarHBondContact OD1-N 2.8Å; L1884-S1886 PolarHBondContact O-N 2.82Å; L1884-S1886 VanDerWaalsContact O-N 3.16Å; S1886-P1888 VanDerWaalsContact O-CD 3.28Å; S1886-P1888 WeakPolarHBondContact O-CD 3.43Å |
| 1887 | V | 87.3 | Confident | 83 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -70.4 | 114.3 | -173.6 | 179 | 0 | 0 | 0 | 0 | 110.7 | I1841 L1845 L1884 Q1885 P1937 R1938 F1941 W2217 | I1841-V1887 HydrophobicContact CG2-CG2 3.95Å; L1845-V1887 HydrophobicContact CD1-CG2 4.06Å; L1884-V1887 WeakPolarHBondContact O-CB 3.45Å; L1884-V1887 WeakPolarHBondContact O-CG2 3.33Å; L1884-V1887 PolarHBondContact O-N 3.08Å; L1884-V1887 VanDerWaalsContact O-N 3.15Å; Q1885-V1887 VanDerWaalsContact C-N 3.34Å; V1887-P1937 HydrophobicContact CG1-CB 3.85Å; V1887-P1937 HydrophobicContact CG1-CG 3.85Å; V1887-R1938 HydrophobicContact CG1-CG 3.89Å; V1887-R1938 VanDerWaalsContact O-CZ 3.25Å; V1887-R1938 PolarHBondContact O-NE 2.84Å; V1887-R1938 PolarHBondContact O-NH2 3.05Å; V1887-F1941 HydrophobicContact CG1-CE2 4.45Å; V1887-W2217 HydrophobicContact CB-CH2 4.12Å; V1887-W2217 HydrophobicContact CB-CZ3 4Å; V1887-W2217 HydrophobicContact CG1-CZ3 4.2Å; V1887-W2217 HydrophobicContact CG2-CZ3 4.48Å | ||
| 1888 | P | 83.4 | Confident | 82.3 | Confident | 19 Ų | 19 | 36 Ų | 36 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | trans | -66.6 | 149.8 | -178.6 | 28 | -36.7 | 0 | 0 | 0 | 111.5 | I1841 S1886 I1891 P1937 | I1841-P1888 HydrophobicContact CD1-CG 4.45Å; S1886-P1888 VanDerWaalsContact O-CD 3.28Å; S1886-P1888 WeakPolarHBondContact O-CD 3.43Å; P1888-I1891 HydrophobicContact CB-CG1 4.16Å; P1888-I1891 HydrophobicContact CG-CD1 3.85Å; P1888-I1891 HydrophobicContact CG-CG1 3.52Å; P1888-P1937 HydrophobicContact CG-CG 4.14Å; P1888-P1937 WeakPolarHBondContact O-CG 3.35Å | ||
| 1889 | K | 83.9 | Confident | 81.2 | Confident | 70 Ų | 70 | 35.4 Ų | 35.4 | 30% | 0.304 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -71 | -53.4 | -178.5 | -176 | 174.2 | 179.6 | 163.9 | 0 | 112.8 | ||
| 1890 | D | 85.3 | Confident | 79.8 | Confident | 62 Ų | 62 | 39.1 Ų | 39.1 | 33% | 0.332 | 20% | 0.201 | S | C | . | . | trans | -132 | 123.1 | 176.6 | -69.2 | -87.5 | 0 | 0 | 0 | 107.5 | V1892 T1934 R1936 | D1890-V1892 HydrophobicContact CB-CG2 4.38Å; D1890-T1934 HydrophobicContact CB-CG2 4Å; D1890-R1936 WeakPolarHBondContact OD1-CG 3.4Å; D1890-R1936 IonicContact OD1-CZ 3.77Å; D1890-R1936 IonicContact OD1-NE 3.58Å; D1890-R1936 PolarHBondContact OD1-NE 3.14Å; D1890-R1936 IonicContact OD1-NH2 3.88Å; D1890-R1936 PolarHBondContact OD1-NH2 3.28Å | ||
| 1891 | I | 86.9 | Confident | 78.4 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 107.5 | 169.7 | -55.6 | 162.7 | 0 | 0 | 0 | 106.8 | L1740 I1837 F1842 P1888 T1934 I1935 P1937 | L1740-I1891 HydrophobicContact CD1-CD1 3.94Å; L1740-I1891 HydrophobicContact CD2-CD1 4.2Å; L1740-I1891 HydrophobicContact CD2-CG2 4Å; I1837-I1891 HydrophobicContact CD1-CG1 4.42Å; I1837-I1891 HydrophobicContact CD1-CG2 4Å; I1837-I1891 HydrophobicContact CG2-CD1 3.84Å; F1842-I1891 HydrophobicContact CE2-CD1 4.05Å; F1842-I1891 HydrophobicContact CZ-CD1 4.41Å; P1888-I1891 HydrophobicContact CB-CG1 4.16Å; P1888-I1891 HydrophobicContact CG-CD1 3.85Å; P1888-I1891 HydrophobicContact CG-CG1 3.52Å; I1891-T1934 CarbonylContact O-C 2.89Å; I1891-T1934 WeakPolarHBondContact O-CA 3.34Å; I1891-I1935 HydrophobicContact CB-CB 4.35Å; I1891-I1935 PolarHBondContact N-O 3.42Å; I1891-I1935 PolarHBondContact O-N 3.09Å; I1891-P1937 HydrophobicContact CD1-CG 3.95Å; I1891-P1937 HydrophobicContact CG1-CG 4.5Å |
| 1892 | V | 84.8 | Confident | 76.8 | Confident | 71 Ų | 71 | 47 Ų | 47 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 111.4 | -177.2 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | D1890 I1932 E1933 T1934 | D1890-V1892 HydrophobicContact CB-CG2 4.38Å; V1892-I1932 HydrophobicContact CG1-CG2 3.54Å; V1892-E1933 CarbonylContact C-O 3.55Å; V1892-E1933 WeakPolarHBondContact CA-O 3.4Å; V1892-T1934 HydrophobicContact CG2-CG2 4.14Å |
| 1893 | I | 86.3 | Confident | 74.8 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 96.8 | 172.6 | -50.8 | 169.6 | 0 | 0 | 0 | 107.4 | L1740 A1743 I1834 W1895 E1933 I1935 | L1740-I1893 HydrophobicContact CD2-CD1 4.36Å; A1743-I1893 HydrophobicContact CB-CD1 3.82Å; I1834-I1893 HydrophobicContact CD1-CD1 3.78Å; I1834-I1893 HydrophobicContact CD1-CG1 3.96Å; I1834-I1893 HydrophobicContact CD1-CG2 4.11Å; I1893-W1895 VanDerWaalsContact C-N 3.35Å; I1893-W1895 HydrophobicContact CG2-CD2 3.79Å; I1893-W1895 VanDerWaalsContact CG2-CE2 3.49Å; I1893-W1895 HydrophobicContact CG2-CE3 4.42Å; I1893-W1895 HydrophobicContact CG2-CG 4.07Å; I1893-W1895 HydrophobicContact CG2-CZ2 3.92Å; I1893-W1895 PolarHBondContact O-N 3.08Å; I1893-E1933 HydrophobicContact CB-CB 4.36Å; I1893-E1933 PolarHBondContact N-O 3.4Å; I1893-E1933 PolarHBondContact O-N 3.01Å; I1893-I1935 HydrophobicContact CD1-CD1 3.98Å |
| 1894 | D | 82.3 | Confident | 72.3 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | trans | -89.5 | 74.9 | 178.2 | -173.2 | -1.5 | 0 | 0 | 0 | 110.8 | S1896 K1897 | D1894-S1896 PolarHBondContact O-N 2.86Å; D1894-S1896 VanDerWaalsContact OD1-CB 3.29Å; D1894-S1896 WeakPolarHBondContact OD1-CB 3.28Å; D1894-S1896 PolarHBondContact OD1-N 3.43Å; D1894-S1896 PolarHBondContact OD1-OG 3.3Å; D1894-K1897 HydrophobicContact CB-CD 4.4Å; D1894-K1897 HydrophobicContact CB-CG 4.34Å; D1894-K1897 PolarHBondContact O-N 3.03Å; D1894-K1897 VanDerWaalsContact O-N 3.08Å; D1894-K1897 IonicContact OD2-NZ 2.66Å; D1894-K1897 PolarHBondContact OD2-NZ 3.38Å | ||
| 1895 | W | 83.3 | Confident | 69.6 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -51.3 | -25.2 | 175.1 | -58.4 | 102.3 | 0 | 0 | 0 | 113.2 | A1743 Q1746 L1747 I1893 K1897 L1898 L1928 P1929 S1931 E1933 | A1743-W1895 HydrophobicContact CB-CH2 3.86Å; A1743-W1895 HydrophobicContact CB-CZ2 3.74Å; Q1746-W1895 HydrophobicContact CB-CH2 4.19Å; L1747-W1895 HydrophobicContact CD1-CZ3 4.49Å; L1747-W1895 HydrophobicContact CD2-CE3 4.21Å; L1747-W1895 HydrophobicContact CD2-CH2 4.45Å; L1747-W1895 HydrophobicContact CD2-CZ3 3.57Å; L1747-W1895 HydrophobicContact CG-CH2 4.17Å; L1747-W1895 HydrophobicContact CG-CZ3 3.76Å; I1893-W1895 VanDerWaalsContact C-N 3.35Å; I1893-W1895 HydrophobicContact CG2-CD2 3.79Å; I1893-W1895 VanDerWaalsContact CG2-CE2 3.49Å; I1893-W1895 HydrophobicContact CG2-CE3 4.42Å; I1893-W1895 HydrophobicContact CG2-CG 4.07Å; I1893-W1895 HydrophobicContact CG2-CZ2 3.92Å; I1893-W1895 PolarHBondContact O-N 3.08Å; W1895-K1897 PolarHBondContact O-N 2.71Å; W1895-L1898 HydrophobicContact CE3-CD1 4.16Å; W1895-L1898 WeakPolarHBondContact O-CB 3.41Å; W1895-L1898 PolarHBondContact O-N 3.08Å; W1895-L1898 VanDerWaalsContact O-N 3.08Å; W1895-L1928 HydrophobicContact CE3-CB 4.24Å; W1895-L1928 HydrophobicContact CE3-CD1 4.35Å; W1895-L1928 HydrophobicContact CE3-CD2 3.95Å; W1895-L1928 HydrophobicContact CE3-CG 4.41Å; W1895-L1928 HydrophobicContact CZ3-CD2 3.68Å; W1895-P1929 HydrophobicContact CB-CB 4.5Å; W1895-P1929 WeakPolarHBondContact CB-O 3.38Å; W1895-P1929 HydrophobicContact CD2-CB 4.41Å; W1895-P1929 HydrophobicContact CD2-CG 4.1Å; W1895-P1929 HydrophobicContact CG-CB 4.07Å; W1895-P1929 HydrophobicContact CG-CG 4.28Å; W1895-P1929 HydrophobicContact CZ2-CG 4.34Å; W1895-S1931 VanDerWaalsContact CD1-O 3.31Å; W1895-E1933 PolarHBondContact NE1-OE2 3.45Å; W1895-E1933 VanDerWaalsContact NE1-OE2 3.07Å |
| 1896 | S | 74.9 | Confident | 66.8 | Low | 57 Ų | 57 | 68 Ų | 68 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -65.4 | -24.7 | -179.8 | 85.3 | 0 | 0 | 0 | 0 | 113.7 | D1894 L1898 | D1894-S1896 PolarHBondContact O-N 2.86Å; D1894-S1896 VanDerWaalsContact OD1-CB 3.29Å; D1894-S1896 WeakPolarHBondContact OD1-CB 3.28Å; D1894-S1896 PolarHBondContact OD1-N 3.43Å; D1894-S1896 PolarHBondContact OD1-OG 3.3Å; S1896-L1898 VanDerWaalsContact C-N 3.27Å; S1896-L1898 PolarHBondContact O-N 3.32Å |
| 1897 | K | 75 | Confident | 64 | Low | 145 Ų | 145 | 73.9 Ų | 73.9 | 63% | 0.63 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -70.3 | -20.5 | 174.2 | -67.5 | -175.2 | 177.7 | 86.8 | 0 | 113.6 | D1894 W1895 | D1894-K1897 HydrophobicContact CB-CD 4.4Å; D1894-K1897 HydrophobicContact CB-CG 4.34Å; D1894-K1897 PolarHBondContact O-N 3.03Å; D1894-K1897 VanDerWaalsContact O-N 3.08Å; D1894-K1897 IonicContact OD2-NZ 2.66Å; D1894-K1897 PolarHBondContact OD2-NZ 3.38Å; W1895-K1897 PolarHBondContact O-N 2.71Å |
| 1898 | L | 74.9 | Confident | 61.2 | Low | 6 Ų | 6 | 81.3 Ų | 81.3 | 3% | 0.031 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -85 | -19 | -178.2 | -59.8 | 176.3 | 0 | 0 | 0 | 112.6 | L1747 A1826 V1827 E1830 W1895 S1896 Y1900 L1925 L1928 | L1747-L1898 HydrophobicContact CD2-CD1 3.45Å; L1747-L1898 VanDerWaalsContact CD2-CD1 3.45Å; A1826-L1898 HydrophobicContact CB-CD2 3.7Å; V1827-L1898 HydrophobicContact CG2-CD2 4.33Å; E1830-L1898 HydrophobicContact CB-CD2 4.38Å; W1895-L1898 HydrophobicContact CE3-CD1 4.16Å; W1895-L1898 WeakPolarHBondContact O-CB 3.41Å; W1895-L1898 PolarHBondContact O-N 3.08Å; W1895-L1898 VanDerWaalsContact O-N 3.08Å; S1896-L1898 VanDerWaalsContact C-N 3.27Å; S1896-L1898 PolarHBondContact O-N 3.32Å; L1898-Y1900 PolarHBondContact O-N 3.43Å; L1898-L1925 WeakPolarHBondContact O-CD2 3.35Å; L1898-L1928 HydrophobicContact CB-CD1 3.87Å; L1898-L1928 HydrophobicContact CD1-CD1 3.79Å; L1898-L1928 HydrophobicContact CG-CD1 4.5Å |
| 1899 | H | 66 | Low | 58.5 | Low | 44 Ų | 44 | 85.8 Ų | 85.8 | 20% | 0.204 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -74.8 | 104.1 | 171.9 | -64.7 | -60.2 | 0 | 0 | 0 | 110.6 | K1901 L1925 K1930 | H1899-K1901 PolarHBondContact O-N 3.41Å; H1899-L1925 PolarHBondContact CE1-O 2.87Å; H1899-L1925 PolarHBondContact ND1-O 2.89Å; H1899-K1930 WeakPolarHBondContact NE2-CG 3.39Å |
| 1900 | Y | 55.8 | Low | 55.7 | Low | 81 Ų | 81 | 90.8 Ų | 90.8 | 32% | 0.318 | 50% | 0.502 | S | S | . | . | trans | -61.5 | 115.2 | -172.6 | -172.5 | -96.8 | 0 | 0 | 0 | 112.8 | N1820 P1823 L1898 | N1820-Y1900 PolarHBondContact O-OH 3.1Å; P1823-Y1900 HydrophobicContact CB-CD2 4.42Å; L1898-Y1900 PolarHBondContact O-N 3.43Å | ||
| 1901 | K | 47.7 | Very low | 52.9 | Low | 173 Ų | 173 | 94.8 Ų | 94.8 | 75% | 0.752 | 52% | 0.523 | S | S | * | . | trans | -96.5 | 102.9 | 172.9 | -72.4 | -178.4 | -179.2 | 172.4 | 0 | 110.6 | H1899 S1903 | H1899-K1901 PolarHBondContact O-N 3.41Å; K1901-S1903 VanDerWaalsContact C-N 3.28Å; K1901-S1903 PolarHBondContact O-N 2.68Å | ||
| 1902 | S | 38.5 | Very low | 50.1 | Low | 110 Ų | 110 | 101 Ų | 101 | 77% | 0.769 | 56% | 0.557 | S | S | * | * | trans | -71.3 | 80.5 | 169.7 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1903 | S | 32.6 | Very low | 47.4 | Very low | 87 Ų | 87 | 105.2 Ų | 105.2 | 61% | 0.608 | 58% | 0.577 | S | S | * | * | trans | -157.7 | 45.2 | -173.9 | 70.2 | 0 | 0 | 0 | 0 | 116.2 | K1901 | K1901-S1903 VanDerWaalsContact C-N 3.28Å; K1901-S1903 PolarHBondContact O-N 2.68Å | ||
| 1904 | T | 31.2 | Very low | 44.5 | Very low | 136 Ų | 136 | 110.7 Ų | 110.7 | 83% | 0.834 | 62% | 0.615 | S | S | * | * | trans | -152.8 | 72.6 | 165.3 | 31.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1905 | V | 30.7 | Very low | 42 | Very low | 135 Ų | 135 | 117.5 Ų | 117.5 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -131.8 | 142 | 153.4 | -179.3 | 0 | 0 | 0 | 0 | 106.5 | N1907 | V1905-N1907 PolarHBondContact O-N 3.11Š|
| 1906 | D | 28.3 | Very low | 39.5 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 85% | 0.85 | 69% | 0.688 | S | S | * | * | trans | -63.7 | 104 | -168.6 | -68.3 | -66.5 | 0 | 0 | 0 | 113.3 | N1908 | D1906-N1908 PolarHBondContact O-N 3.25Š| ||
| 1907 | N | 25.8 | Very low | 37.2 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 89% | 0.893 | 71% | 0.712 | S | S | * | * | trans | -72.7 | 76.6 | 172.9 | -86 | -18 | 0 | 0 | 0 | 111 | V1905 | V1905-N1907 PolarHBondContact O-N 3.11Š| ||
| 1908 | N | 28.3 | Very low | 35.5 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 83% | 0.829 | 71% | 0.711 | S | S | * | * | trans | -124.1 | 38.3 | 170.4 | -131.6 | -9 | 0 | 0 | 0 | 112.2 | D1906 | D1906-N1908 PolarHBondContact O-N 3.25Š| ||
| 1909 | C | 26.1 | Very low | 34.6 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -152.9 | 110.3 | 159.4 | -100 | 0 | 0 | 0 | 0 | 113 | ||
| 1910 | L | 25.1 | Very low | 34.5 | Very low | 175 Ų | 175 | 137 Ų | 137 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | trans | 75.9 | 156.4 | 155.9 | -60 | 170.1 | 0 | 0 | 0 | 119.3 | ||||
| 1911 | N | 26.4 | Very low | 35.4 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | -118.4 | 152.3 | -159.9 | -89.9 | -24.5 | 0 | 0 | 0 | 113.1 | ||||
| 1912 | N | 28.3 | Very low | 36.5 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | 71.6 | 130 | 151.6 | -61.6 | -8.4 | 0 | 0 | 0 | 120.5 | ||||
| 1913 | N | 28.4 | Very low | 38.3 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | trans | 75.1 | 77.4 | 150.6 | -58.8 | -1.8 | 0 | 0 | 0 | 120.3 | ||||
| 1914 | S | 25.5 | Very low | 40.5 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | trans | -162 | 132.2 | 130.7 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1915 | E | 28.2 | Very low | 42.8 | Very low | 166 Ų | 166 | 123.4 Ų | 123.4 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | trans | 18.1 | 131.3 | 154.6 | -66.7 | 168 | 171 | 0 | 0 | 121.5 | W1917 | E1915-W1917 PolarHBondContact O-N 2.82Š| ||
| 1916 | K | 32.1 | Very low | 45.1 | Very low | 204 Ų | 204 | 120.1 Ų | 120.1 | 89% | 0.887 | 63% | 0.634 | S | S | * | * | trans | -68.4 | 98.3 | 168.2 | -74.4 | -179.6 | 178.2 | 174.2 | 0 | 111.1 | T1918 | K1916-T1918 PolarHBondContact O-N 2.73Š| ||
| 1917 | W | 26.7 | Very low | 47.5 | Very low | 235 Ų | 235 | 118 Ų | 118 | 89% | 0.89 | 62% | 0.619 | S | S | * | * | trans | -68.4 | 95.8 | 159 | -81.1 | 60.8 | 0 | 0 | 0 | 109.5 | E1915 S1919 | E1915-W1917 PolarHBondContact O-N 2.82Å; W1917-S1919 PolarHBondContact O-N 2.85Å | ||
| 1918 | T | 39.7 | Very low | 50.2 | Low | 100 Ų | 100 | 110.3 Ų | 110.3 | 61% | 0.613 | 58% | 0.578 | S | S | * | * | trans | -62.7 | 123.4 | 159.6 | 47.5 | 0 | 0 | 0 | 0 | 107.9 | K1916 | K1916-T1918 PolarHBondContact O-N 2.73Š| ||
| 1919 | S | 54.9 | Low | 52.6 | Low | 33 Ų | 33 | 104.7 Ų | 104.7 | 23% | 0.231 | 55% | 0.55 | C | S | . | . | trans | -67.8 | 153.4 | 176.7 | 74.4 | 0 | 0 | 0 | 0 | 110 | W1917 F1921 D1922 | W1917-S1919 PolarHBondContact O-N 2.85Å; S1919-F1921 PolarHBondContact O-N 2.82Å; S1919-F1921 VanDerWaalsContact O-N 3.1Å; S1919-D1922 WeakPolarHBondContact CA-OD2 3.26Å; S1919-D1922 WeakPolarHBondContact CB-OD2 3.27Å; S1919-D1922 PolarHBondContact N-OD2 3.28Å; S1919-D1922 WeakPolarHBondContact O-CB 3.29Å; S1919-D1922 PolarHBondContact O-N 2.76Å; S1919-D1922 VanDerWaalsContact OG-CG 3.24Å; S1919-D1922 PolarHBondContact OG-N 3.18Å; S1919-D1922 PolarHBondContact OG-OD2 3.41Å | ||
| 1920 | P | 64.2 | Low | 54.8 | Low | 91 Ų | 91 | 106.7 Ų | 106.7 | 59% | 0.591 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.5 | -22.4 | 174.2 | 23.8 | -33.8 | 0 | 0 | 0 | 112.7 | ||
| 1921 | F | 74.4 | Confident | 57.3 | Low | 66 Ų | 66 | 102 Ų | 102 | 29% | 0.289 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.5 | -30.3 | 173.3 | -50.2 | -60.4 | 0 | 0 | 0 | 113 | L1754 H1822 P1823 S1919 Q1923 I1924 L1925 | L1754-F1921 HydrophobicContact CD2-CB 4.01Å; L1754-F1921 HydrophobicContact CD2-CD1 3.73Å; L1754-F1921 HydrophobicContact CD2-CG 4.29Å; H1822-F1921 AromaticContact CD2-CZ 3.97Å; H1822-F1921 AromaticContact NE2-CE1 3.49Å; H1822-F1921 WeakPolarHBondContact NE2-CE1 3.37Å; H1822-F1921 AromaticContact NE2-CZ 3.35Å; H1822-F1921 VanDerWaalsContact NE2-CZ 3.35Å; H1822-F1921 WeakPolarHBondContact NE2-CZ 3.32Å; P1823-F1921 HydrophobicContact CG-CB 4.02Å; P1823-F1921 HydrophobicContact CG-CD1 4.4Å; P1823-F1921 HydrophobicContact CG-CG 4.07Å; S1919-F1921 PolarHBondContact O-N 2.82Å; S1919-F1921 VanDerWaalsContact O-N 3.1Å; F1921-Q1923 VanDerWaalsContact C-N 3.29Å; F1921-Q1923 PolarHBondContact O-N 3.34Å; F1921-I1924 PolarHBondContact O-N 2.99Å; F1921-L1925 WeakPolarHBondContact O-CB 3.16Å; F1921-L1925 VanDerWaalsContact O-CG 3.26Å; F1921-L1925 WeakPolarHBondContact O-CG 3.49Å; F1921-L1925 PolarHBondContact O-N 3.02Å |
| 1922 | D | 71.6 | Confident | 59.9 | Low | 56 Ų | 56 | 99.8 Ų | 99.8 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.4 | -32.7 | -179.1 | -65.3 | -56.6 | 0 | 0 | 0 | 111.9 | S1919 S1926 | S1919-D1922 WeakPolarHBondContact CA-OD2 3.26Å; S1919-D1922 WeakPolarHBondContact CB-OD2 3.27Å; S1919-D1922 PolarHBondContact N-OD2 3.28Å; S1919-D1922 WeakPolarHBondContact O-CB 3.29Å; S1919-D1922 PolarHBondContact O-N 2.76Å; S1919-D1922 VanDerWaalsContact OG-CG 3.24Å; S1919-D1922 PolarHBondContact OG-N 3.18Å; S1919-D1922 PolarHBondContact OG-OD2 3.41Å; D1922-S1926 VanDerWaalsContact O-CB 3.31Å; D1922-S1926 WeakPolarHBondContact O-CB 3.33Å; D1922-S1926 PolarHBondContact O-N 2.8Å |
| 1923 | Q | 74.9 | Confident | 62.5 | Low | 141 Ų | 141 | 96.1 Ų | 96.1 | 66% | 0.659 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.6 | -51.1 | 171.2 | -74.7 | -175.4 | -19.8 | 0 | 0 | 111.2 | F1921 L1925 S1926 | F1921-Q1923 VanDerWaalsContact C-N 3.29Å; F1921-Q1923 PolarHBondContact O-N 3.34Å; Q1923-L1925 VanDerWaalsContact C-N 3.3Å; Q1923-L1925 PolarHBondContact O-N 2.97Å; Q1923-S1926 WeakPolarHBondContact O-CB 3.47Å; Q1923-S1926 PolarHBondContact O-N 3.41Å; Q1923-S1926 PolarHBondContact O-OG 3.2Å |
| 1924 | I | 79.7 | Confident | 65.3 | Low | 37 Ų | 37 | 91.8 Ų | 91.8 | 19% | 0.19 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.2 | -40.2 | -179.6 | -59.2 | 168 | 0 | 0 | 0 | 111.1 | V1750 R1753 L1754 F1921 S1926 | V1750-I1924 HydrophobicContact CG1-CG2 4.3Å; R1753-I1924 HydrophobicContact CB-CD1 4.4Å; R1753-I1924 HydrophobicContact CB-CG2 3.85Å; L1754-I1924 HydrophobicContact CD2-CB 4.03Å; L1754-I1924 HydrophobicContact CD2-CD1 4.27Å; L1754-I1924 HydrophobicContact CD2-CG2 3.88Å; L1754-I1924 HydrophobicContact CG-CG2 4.01Å; F1921-I1924 PolarHBondContact O-N 2.99Å; I1924-S1926 VanDerWaalsContact C-N 3.32Å; I1924-S1926 PolarHBondContact O-N 2.75Å |
| 1925 | L | 80.6 | Confident | 68.3 | Low | 1 Ų | 1 | 86.8 Ų | 86.8 | 1% | 0.005 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -70.9 | -24.7 | 176.2 | -70.8 | 169.6 | 0 | 0 | 0 | 112.8 | V1750 L1754 P1823 V1827 L1898 H1899 F1921 Q1923 E1927 L1928 | V1750-L1925 HydrophobicContact CG1-CD2 4.24Å; L1754-L1925 HydrophobicContact CD1-CD2 3.96Å; L1754-L1925 HydrophobicContact CD2-CG 4.39Å; P1823-L1925 HydrophobicContact CB-CD1 3.93Å; P1823-L1925 HydrophobicContact CG-CD1 4.34Å; V1827-L1925 HydrophobicContact CG2-CD2 4.48Å; L1898-L1925 WeakPolarHBondContact O-CD2 3.35Å; H1899-L1925 PolarHBondContact CE1-O 2.87Å; H1899-L1925 PolarHBondContact ND1-O 2.89Å; F1921-L1925 WeakPolarHBondContact O-CB 3.16Å; F1921-L1925 VanDerWaalsContact O-CG 3.26Å; F1921-L1925 WeakPolarHBondContact O-CG 3.49Å; F1921-L1925 PolarHBondContact O-N 3.02Å; Q1923-L1925 VanDerWaalsContact C-N 3.3Å; Q1923-L1925 PolarHBondContact O-N 2.97Å; L1925-E1927 PolarHBondContact O-N 3.04Å; L1925-L1928 HydrophobicContact CD2-CD1 4.24Å; L1925-L1928 WeakPolarHBondContact O-CB 3.09Å; L1925-L1928 PolarHBondContact O-N 3.48Å; L1925-L1928 VanDerWaalsContact O-N 3.12Å |
| 1926 | S | 77.8 | Confident | 71.3 | Confident | 66 Ų | 66 | 84.6 Ų | 84.6 | 46% | 0.462 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.9 | -177.1 | 75.6 | 0 | 0 | 0 | 0 | 114.7 | D1922 Q1923 I1924 L1928 | D1922-S1926 VanDerWaalsContact O-CB 3.31Å; D1922-S1926 WeakPolarHBondContact O-CB 3.33Å; D1922-S1926 PolarHBondContact O-N 2.8Å; Q1923-S1926 WeakPolarHBondContact O-CB 3.47Å; Q1923-S1926 PolarHBondContact O-N 3.41Å; Q1923-S1926 PolarHBondContact O-OG 3.2Å; I1924-S1926 VanDerWaalsContact C-N 3.32Å; I1924-S1926 PolarHBondContact O-N 2.75Å; S1926-L1928 VanDerWaalsContact C-N 3.33Å |
| 1927 | E | 79.4 | Confident | 74 | Confident | 114 Ų | 114 | 74.9 Ų | 74.9 | 53% | 0.533 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -14.3 | 174.4 | -65.1 | 177.6 | -148.5 | 0 | 0 | 113.7 | R1753 L1925 | R1753-E1927 IonicContact CZ-OE1 2.7Å; R1753-E1927 IonicContact CZ-OE2 2.82Å; R1753-E1927 VanDerWaalsContact CZ-OE2 3.23Å; R1753-E1927 IonicContact NH1-OE1 3.05Å; R1753-E1927 PolarHBondContact NH1-OE1 3.37Å; R1753-E1927 IonicContact NH1-OE2 3.6Å; R1753-E1927 PolarHBondContact NH1-OE2 3.33Å; R1753-E1927 IonicContact NH2-OE1 2.67Å; R1753-E1927 IonicContact NH2-OE2 3.25Å; R1753-E1927 PolarHBondContact NH2-OE2 3.45Å; L1925-E1927 PolarHBondContact O-N 3.04Å |
| 1928 | L | 81.1 | Confident | 77.1 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -73.2 | 145.9 | 172.2 | -64 | -177.5 | 0 | 0 | 0 | 110.7 | V1750 W1895 L1898 L1925 S1926 | V1750-L1928 HydrophobicContact CB-CD2 4.36Å; V1750-L1928 HydrophobicContact CG1-CD1 4.39Å; V1750-L1928 HydrophobicContact CG2-CD2 3.67Å; V1750-L1928 HydrophobicContact CG2-CG 4.08Å; W1895-L1928 HydrophobicContact CE3-CB 4.24Å; W1895-L1928 HydrophobicContact CE3-CD1 4.35Å; W1895-L1928 HydrophobicContact CE3-CD2 3.95Å; W1895-L1928 HydrophobicContact CE3-CG 4.41Å; W1895-L1928 HydrophobicContact CZ3-CD2 3.68Å; L1898-L1928 HydrophobicContact CB-CD1 3.87Å; L1898-L1928 HydrophobicContact CD1-CD1 3.79Å; L1898-L1928 HydrophobicContact CG-CD1 4.5Å; L1925-L1928 HydrophobicContact CD2-CD1 4.24Å; L1925-L1928 WeakPolarHBondContact O-CB 3.09Å; L1925-L1928 PolarHBondContact O-N 3.48Å; L1925-L1928 VanDerWaalsContact O-N 3.12Å; S1926-L1928 VanDerWaalsContact C-N 3.33Å |
| 1929 | P | 80.1 | Confident | 79.5 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 23% | 0.234 | 32% | 0.321 | C | S | . | . | trans | -55.4 | 141.6 | 173.9 | -24.2 | 33.6 | 0 | 0 | 0 | 112.2 | W1895 | W1895-P1929 HydrophobicContact CB-CB 4.5Å; W1895-P1929 WeakPolarHBondContact CB-O 3.38Å; W1895-P1929 HydrophobicContact CD2-CB 4.41Å; W1895-P1929 HydrophobicContact CD2-CG 4.1Å; W1895-P1929 HydrophobicContact CG-CB 4.07Å; W1895-P1929 HydrophobicContact CG-CG 4.28Å; W1895-P1929 HydrophobicContact CZ2-CG 4.34Å | ||
| 1930 | K | 72.3 | Confident | 81.3 | Confident | 156 Ų | 156 | 59.7 Ų | 59.7 | 68% | 0.678 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -91.6 | -9.3 | 174.1 | -72.3 | 173.9 | -176 | 174.5 | 0 | 113.6 | H1899 | H1899-K1930 WeakPolarHBondContact NE2-CG 3.39Š|
| 1931 | S | 77.6 | Confident | 82.7 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 54% | 0.538 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -85.6 | 138.9 | 176.1 | 48.6 | 0 | 0 | 0 | 0 | 110.9 | W1895 E1933 | W1895-S1931 VanDerWaalsContact CD1-O 3.31Å; S1931-E1933 PolarHBondContact O-N 2.66Å |
| 1932 | I | 81 | Confident | 83.5 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | trans | -66.8 | 131.4 | 164.2 | -59.3 | 174.7 | 0 | 0 | 0 | 108.1 | V1892 | V1892-I1932 HydrophobicContact CG1-CG2 3.54Š| ||
| 1933 | E | 83.5 | Confident | 84.5 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 140.1 | 177.2 | -174.6 | 169 | -164.1 | 0 | 0 | 109.5 | V1892 I1893 W1895 S1931 | V1892-E1933 CarbonylContact C-O 3.55Å; V1892-E1933 WeakPolarHBondContact CA-O 3.4Å; I1893-E1933 HydrophobicContact CB-CB 4.36Å; I1893-E1933 PolarHBondContact N-O 3.4Å; I1893-E1933 PolarHBondContact O-N 3.01Å; W1895-E1933 PolarHBondContact NE1-OE2 3.45Å; W1895-E1933 VanDerWaalsContact NE1-OE2 3.07Å; S1931-E1933 PolarHBondContact O-N 2.66Å |
| 1934 | T | 87 | Confident | 85.1 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 41% | 0.405 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 114.9 | -176.2 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | D1890 I1891 V1892 R1936 | D1890-T1934 HydrophobicContact CB-CG2 4Å; I1891-T1934 CarbonylContact O-C 2.89Å; I1891-T1934 WeakPolarHBondContact O-CA 3.34Å; V1892-T1934 HydrophobicContact CG2-CG2 4.14Å; T1934-R1936 HydrophobicContact CG2-CG 4.47Å |
| 1935 | I | 88.8 | Confident | 85.5 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.4 | -176.3 | -60.8 | 168.4 | 0 | 0 | 0 | 108.6 | C1736 L1740 I1891 I1893 P1937 | C1736-I1935 HydrophobicContact CB-CG2 3.69Å; L1740-I1935 HydrophobicContact CD2-CD1 3.69Å; L1740-I1935 HydrophobicContact CG-CD1 3.85Å; I1891-I1935 HydrophobicContact CB-CB 4.35Å; I1891-I1935 PolarHBondContact N-O 3.42Å; I1891-I1935 PolarHBondContact O-N 3.09Å; I1893-I1935 HydrophobicContact CD1-CD1 3.98Å; I1935-P1937 WeakPolarHBondContact O-CD 3.5Å |
| 1936 | R | 89.9 | Confident | 85.9 | Confident | 120 Ų | 120 | 54 Ų | 54 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | trans | -122.6 | 75.7 | -167.9 | -70.7 | -178.4 | 168.7 | 167.2 | 3.4 | 112.7 | D1890 T1934 R1938 C1939 | D1890-R1936 WeakPolarHBondContact OD1-CG 3.4Å; D1890-R1936 IonicContact OD1-CZ 3.77Å; D1890-R1936 IonicContact OD1-NE 3.58Å; D1890-R1936 PolarHBondContact OD1-NE 3.14Å; D1890-R1936 IonicContact OD1-NH2 3.88Å; D1890-R1936 PolarHBondContact OD1-NH2 3.28Å; T1934-R1936 HydrophobicContact CG2-CG 4.47Å; R1936-R1938 PolarHBondContact O-N 3.21Å; R1936-R1938 VanDerWaalsContact O-N 3.08Å; R1936-C1939 HydrophobicContact CB-CB 4.47Å; R1936-C1939 WeakPolarHBondContact O-CB 3.38Å; R1936-C1939 PolarHBondContact O-N 2.92Å; R1936-C1939 PolarHBondContact O-SG 3.34Å | ||
| 1937 | P | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -59.6 | -26.6 | -175.6 | 20.9 | -30.1 | 0 | 0 | 0 | 114.1 | F1842 V1887 P1888 I1891 I1935 C1939 A1940 | F1842-P1937 HydrophobicContact CE1-CB 4.25Å; F1842-P1937 HydrophobicContact CE2-CB 4.4Å; F1842-P1937 HydrophobicContact CZ-CB 3.67Å; F1842-P1937 HydrophobicContact CZ-CG 4.14Å; V1887-P1937 HydrophobicContact CG1-CB 3.85Å; V1887-P1937 HydrophobicContact CG1-CG 3.85Å; P1888-P1937 HydrophobicContact CG-CG 4.14Å; P1888-P1937 WeakPolarHBondContact O-CG 3.35Å; I1891-P1937 HydrophobicContact CD1-CG 3.95Å; I1891-P1937 HydrophobicContact CG1-CG 4.5Å; I1935-P1937 WeakPolarHBondContact O-CD 3.5Å; P1937-C1939 PolarHBondContact O-N 3.31Å; P1937-C1939 VanDerWaalsContact O-N 3.15Å; P1937-A1940 PolarHBondContact O-N 3.42Å |
| 1938 | R | 92.1 | Very high | 87.3 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 6% | 0.06 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -62.1 | -16.1 | 173.3 | -62.9 | -166.9 | -177.7 | -159 | 0.7 | 113.7 | V1887 R1936 A1940 F1941 E2169 W2217 S2218 | V1887-R1938 HydrophobicContact CG1-CG 3.89Å; V1887-R1938 VanDerWaalsContact O-CZ 3.25Å; V1887-R1938 PolarHBondContact O-NE 2.84Å; V1887-R1938 PolarHBondContact O-NH2 3.05Å; R1936-R1938 PolarHBondContact O-N 3.21Å; R1936-R1938 VanDerWaalsContact O-N 3.08Å; R1938-A1940 PolarHBondContact O-N 3.3Å; R1938-F1941 PolarHBondContact O-N 2.85Å; R1938-E2169 IonicContact CZ-OE1 3.84Å; R1938-E2169 IonicContact CZ-OE2 2.83Å; R1938-E2169 VanDerWaalsContact NH1-CD 3.34Å; R1938-E2169 IonicContact NH1-OE1 2.71Å; R1938-E2169 PolarHBondContact NH1-OE1 3.36Å; R1938-E2169 IonicContact NH1-OE2 3.62Å; R1938-E2169 PolarHBondContact NH1-OE2 3.2Å; R1938-E2169 IonicContact NH2-OE1 3.24Å; R1938-E2169 PolarHBondContact NH2-OE1 3.32Å; R1938-E2169 IonicContact NH2-OE2 2.7Å; R1938-W2217 HydrophobicContact CB-CB 4.22Å; R1938-W2217 HydrophobicContact CB-CD2 4Å; R1938-W2217 HydrophobicContact CB-CE3 3.88Å; R1938-W2217 HydrophobicContact CB-CG 4.16Å; R1938-W2217 HydrophobicContact CG-CD2 3.81Å; R1938-W2217 HydrophobicContact CG-CE3 3.6Å; R1938-W2217 HydrophobicContact CG-CG 4.41Å; R1938-W2217 HydrophobicContact CG-CH2 4.25Å; R1938-W2217 HydrophobicContact CG-CZ2 4.46Å; R1938-W2217 HydrophobicContact CG-CZ3 3.83Å; R1938-W2217 WeakPolarHBondContact O-CB 3.37Å; R1938-S2218 PolarHBondContact O-N 2.67Å |
| 1939 | C | 90.6 | Very high | 88 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 22% | 0.223 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -71.4 | -19 | 177.3 | 81.4 | 0 | 0 | 0 | 0 | 113.1 | R1936 P1937 F1941 H1942 | R1936-C1939 HydrophobicContact CB-CB 4.47Å; R1936-C1939 WeakPolarHBondContact O-CB 3.38Å; R1936-C1939 PolarHBondContact O-N 2.92Å; R1936-C1939 PolarHBondContact O-SG 3.34Å; P1937-C1939 PolarHBondContact O-N 3.31Å; P1937-C1939 VanDerWaalsContact O-N 3.15Å; C1939-F1941 VanDerWaalsContact C-N 3.26Å; C1939-F1941 PolarHBondContact O-N 2.89Å; C1939-H1942 PolarHBondContact O-CE1 3.14Å |
| 1940 | A | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -68.9 | -24.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1728 N1729 D1732 L1733 P1937 R1938 H1942 | L1728-A1940 CarbonylContact C-O 3.55Å; L1728-A1940 WeakPolarHBondContact CA-O 3.24Å; L1728-A1940 HydrophobicContact CG-CB 4.47Å; N1729-A1940 PolarHBondContact N-O 2.97Å; D1732-A1940 HydrophobicContact CB-CB 4.27Å; L1733-A1940 HydrophobicContact CB-CB 4.14Å; P1937-A1940 PolarHBondContact O-N 3.42Å; R1938-A1940 PolarHBondContact O-N 3.3Å; A1940-H1942 PolarHBondContact O-ND1 3.31Å |
| 1941 | F | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.7 | -173 | -61.4 | -99.6 | 0 | 0 | 0 | 111 | F1726 I1727 L1728 L1845 I1864 L1884 V1887 R1938 C1939 N2216 W2217 | F1726-F1941 HydrophobicContact CD1-CB 4.43Å; F1726-F1941 AromaticContact CD1-CD1 3.81Å; F1726-F1941 HydrophobicContact CD1-CD1 3.81Å; F1726-F1941 HydrophobicContact CD2-CB 4.31Å; F1726-F1941 HydrophobicContact CE1-CB 4Å; F1726-F1941 HydrophobicContact CE1-CD1 4.09Å; F1726-F1941 HydrophobicContact CE1-CG 4.37Å; F1726-F1941 HydrophobicContact CE2-CB 3.86Å; F1726-F1941 HydrophobicContact CG-CD1 4.07Å; F1726-F1941 HydrophobicContact CZ-CB 3.71Å; I1727-F1941 CarbonylContact O-C 3.54Å; I1727-F1941 WeakPolarHBondContact O-CA 3.5Å; L1728-F1941 HydrophobicContact CD1-CD1 4.24Å; L1728-F1941 HydrophobicContact CD1-CE1 3.73Å; L1728-F1941 HydrophobicContact CD1-CE2 4.35Å; L1728-F1941 HydrophobicContact CD1-CZ 3.79Å; L1845-F1941 HydrophobicContact CD2-CZ 4.33Å; I1864-F1941 HydrophobicContact CG2-CE1 4.04Å; L1884-F1941 HydrophobicContact CD1-CE1 4.06Å; L1884-F1941 HydrophobicContact CD2-CE1 3.68Å; L1884-F1941 HydrophobicContact CD2-CZ 3.89Å; L1884-F1941 HydrophobicContact CG-CE1 4.48Å; V1887-F1941 HydrophobicContact CG1-CE2 4.45Å; R1938-F1941 PolarHBondContact O-N 2.85Å; C1939-F1941 VanDerWaalsContact C-N 3.26Å; C1939-F1941 PolarHBondContact O-N 2.89Å; F1941-N2216 CarbonylContact O-C 3.53Å; F1941-N2216 WeakPolarHBondContact O-CA 3.33Å; F1941-N2216 WeakPolarHBondContact O-CB 3.45Å; F1941-W2217 HydrophobicContact CB-CB 4.03Å; F1941-W2217 HydrophobicContact CB-CE3 4.1Å; F1941-W2217 HydrophobicContact CD1-CE3 4.47Å; F1941-W2217 AromaticContact CD2-CE3 3.79Å; F1941-W2217 HydrophobicContact CD2-CE3 3.79Å; F1941-W2217 HydrophobicContact CD2-CZ3 4.19Å; F1941-W2217 HydrophobicContact CE2-CE3 4.32Å; F1941-W2217 HydrophobicContact CE2-CZ3 4.26Å; F1941-W2217 AromaticContact CG-CE3 3.88Å; F1941-W2217 HydrophobicContact CG-CE3 3.88Å; F1941-W2217 HydrophobicContact CG-CZ3 4.43Å; F1941-W2217 PolarHBondContact O-N 3.02Å |
| 1942 | H | 92.5 | Very high | 90.6 | Very high | 52 Ų | 52 | 33.4 Ų | 33.4 | 24% | 0.241 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 160.4 | -164 | -77.9 | 83.9 | 0 | 0 | 0 | 113.7 | I1727 C1939 A1940 | I1727-H1942 HydrophobicContact CG2-CB 4.15Å; I1727-H1942 PolarHBondContact O-N 3.36Å; C1939-H1942 PolarHBondContact O-CE1 3.14Å; A1940-H1942 PolarHBondContact O-ND1 3.31Å |
| 1943 | A | 91.4 | Very high | 91.2 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 12% | 0.116 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 160.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1947 L1949 N2215 | A1943-G1947 WeakPolarHBondContact CB-O 3.41Å; A1943-L1949 HydrophobicContact CB-CD2 4.06Å; A1943-L1949 HydrophobicContact CB-CG 4.03Å; A1943-N2215 PolarHBondContact N-O 3.23Å |
| 1944 | P | 88.2 | Confident | 91.6 | Very high | 18 Ų | 18 | 27 Ų | 27 | 12% | 0.117 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 153.6 | 166.5 | 27.1 | -33.8 | 0 | 0 | 0 | 111 | I1727 G1946 G1947 E2176 F2178 | I1727-P1944 HydrophobicContact CD1-CB 3.87Å; P1944-G1946 PolarHBondContact O-N 3.37Å; P1944-G1946 VanDerWaalsContact O-N 3.16Å; P1944-G1947 WeakPolarHBondContact O-CA 3.48Å; P1944-G1947 PolarHBondContact O-N 3.41Å; P1944-E2176 WeakPolarHBondContact CD-OE2 3.24Å; P1944-F2178 HydrophobicContact CG-CB 4.36Å |
| 1945 | V | 87.4 | Confident | 91.7 | Very high | 147 Ų | 147 | 24.5 Ų | 24.5 | 89% | 0.891 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 118.1 | -178.7 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | F2178 | V1945-F2178 WeakPolarHBondContact O-CE2 3.29Š|
| 1946 | G | 89.5 | Confident | 91.6 | Very high | 42 Ų | 42 | 25.8 Ų | 25.8 | 43% | 0.433 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 10.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | P1944 F2178 E2180 | P1944-G1946 PolarHBondContact O-N 3.37Å; P1944-G1946 VanDerWaalsContact O-N 3.16Å; G1946-F2178 WeakPolarHBondContact O-CD2 3.49Å; G1946-E2180 PolarHBondContact O-N 3.39Å |
| 1947 | G | 92.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 20.1 Ų | 20.1 | 8% | 0.082 | 13% | 0.126 | C | C | . | . | trans | -120.8 | 178 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1943 P1944 V2177 | A1943-G1947 WeakPolarHBondContact CB-O 3.41Å; P1944-G1947 WeakPolarHBondContact O-CA 3.48Å; P1944-G1947 PolarHBondContact O-N 3.41Å; G1947-V2177 CarbonylContact C-O 3.56Å; G1947-V2177 WeakPolarHBondContact CA-O 3.3Å | ||
| 1948 | L | 94.7 | Very high | 91.8 | Very high | 15 Ų | 15 | 20.7 Ų | 20.7 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 155.6 | 179.5 | -69.1 | 177.4 | 0 | 0 | 0 | 111.3 | V2177 E2180 A2183 I2213 N2215 | L1948-V2177 PolarHBondContact N-O 2.94Å; L1948-V2177 PolarHBondContact O-N 2.94Å; L1948-E2180 HydrophobicContact CD1-CB 4.39Å; L1948-E2180 HydrophobicContact CD1-CG 3.68Å; L1948-E2180 HydrophobicContact CG-CB 4.27Å; L1948-E2180 HydrophobicContact CG-CG 4.03Å; L1948-A2183 HydrophobicContact CD1-CB 4.29Å; L1948-I2213 HydrophobicContact CB-CD1 4.12Å; L1948-I2213 HydrophobicContact CB-CG1 4.03Å; L1948-I2213 HydrophobicContact CD1-CD1 3.55Å; L1948-I2213 HydrophobicContact CD1-CG1 3.88Å; L1948-I2213 HydrophobicContact CG-CD1 4.47Å; L1948-I2213 HydrophobicContact CG-CG1 4.49Å; L1948-N2215 WeakPolarHBondContact CD2-OD1 2.87Å |
| 1949 | L | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.9 | 167 | -59.5 | -176.7 | 0 | 0 | 0 | 109.7 | F1726 A1943 Y2175 E2176 I2213 G2214 W2217 L2220 | F1726-L1949 HydrophobicContact CE2-CD1 3.77Å; F1726-L1949 HydrophobicContact CE2-CD2 3.9Å; F1726-L1949 HydrophobicContact CZ-CD1 3.8Å; F1726-L1949 HydrophobicContact CZ-CD2 4.45Å; A1943-L1949 HydrophobicContact CB-CD2 4.06Å; A1943-L1949 HydrophobicContact CB-CG 4.03Å; L1949-Y2175 CarbonylContact C-O 3.59Å; L1949-Y2175 WeakPolarHBondContact CA-O 3.43Å; L1949-E2176 HydrophobicContact CD2-CB 3.99Å; L1949-I2213 VanDerWaalsContact O-CA 3.31Å; L1949-I2213 WeakPolarHBondContact O-CA 3.12Å; L1949-I2213 WeakPolarHBondContact O-CG1 3.36Å; L1949-G2214 PolarHBondContact N-O 3.01Å; L1949-G2214 PolarHBondContact O-N 3.41Å; L1949-W2217 HydrophobicContact CD1-CB 4.23Å; L1949-L2220 HydrophobicContact CB-CD2 3.97Å |
| 1950 | I | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.6 | 170.7 | -54.4 | -173.4 | 0 | 0 | 0 | 109.1 | I2174 Y2175 V2177 A2183 F2186 I2190 L2211 R2212 I2213 | I1950-I2174 WeakPolarHBondContact O-CA 3.38Å; I1950-Y2175 PolarHBondContact N-O 3.3Å; I1950-Y2175 PolarHBondContact O-N 3.06Å; I1950-V2177 HydrophobicContact CB-CG2 4.44Å; I1950-V2177 HydrophobicContact CD1-CB 4.37Å; I1950-V2177 HydrophobicContact CD1-CG2 3.72Å; I1950-V2177 HydrophobicContact CG1-CG2 3.86Å; I1950-A2183 HydrophobicContact CD1-CB 4.03Å; I1950-A2183 WeakPolarHBondContact CD1-O 3.48Å; I1950-F2186 HydrophobicContact CD1-CB 4.49Å; I1950-I2190 HydrophobicContact CG2-CD1 4.31Å; I1950-L2211 HydrophobicContact CG2-CD2 4.19Å; I1950-R2212 WeakPolarHBondContact CA-O 3.12Å; I1950-I2213 HydrophobicContact CD1-CD1 4.47Å; I1950-I2213 HydrophobicContact CG1-CD1 4.09Å; I1950-I2213 HydrophobicContact CG1-CG1 4.36Å |
| 1951 | S | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.6 | 171.5 | 142.5 | 0 | 0 | 0 | 0 | 109.8 | E2172 L2173 L2211 R2212 | S1951-E2172 VanDerWaalsContact CB-OE1 3.3Å; S1951-E2172 WeakPolarHBondContact CB-OE1 3.45Å; S1951-E2172 VanDerWaalsContact OG-CD 3.26Å; S1951-E2172 PolarHBondContact OG-OE1 3.26Å; S1951-L2173 CarbonylContact C-O 3.41Å; S1951-L2173 WeakPolarHBondContact CA-O 3.49Å; S1951-L2211 CarbonylContact O-C 3.49Å; S1951-L2211 VanDerWaalsContact O-CA 3.29Å; S1951-L2211 WeakPolarHBondContact O-CA 3.43Å; S1951-R2212 PolarHBondContact N-O 3.45Å; S1951-R2212 PolarHBondContact O-N 3.48Å |
| 1952 | G | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | E2172 L2173 K2210 | G1952-E2172 CarbonylContact O-C 3.55Å; G1952-E2172 WeakPolarHBondContact O-CA 3.38Å; G1952-L2173 PolarHBondContact N-O 3.14Å; G1952-L2173 PolarHBondContact O-N 3.16Å; G1952-K2210 WeakPolarHBondContact CA-O 3.41Å |
| 1953 | D | 92.7 | Very high | 91.5 | Very high | 21 Ų | 21 | 17 Ų | 17 | 11% | 0.112 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 116.9 | -172.8 | 152.7 | 31.6 | 0 | 0 | 0 | 110.5 | C1955 E2172 V2209 K2210 R2212 | D1953-C1955 PolarHBondContact O-N 3.08Å; D1953-E2172 HydrophobicContact CB-CB 4.23Å; D1953-E2172 HydrophobicContact CB-CG 4.16Å; D1953-V2209 CarbonylContact O-C 3.46Å; D1953-V2209 WeakPolarHBondContact O-CA 3.37Å; D1953-K2210 HydrophobicContact CB-CB 4.25Å; D1953-K2210 PolarHBondContact N-O 3.08Å; D1953-K2210 PolarHBondContact O-N 2.77Å; D1953-R2212 IonicContact OD2-CZ 2.76Å; D1953-R2212 IonicContact OD2-NH2 3.42Å; D1953-R2212 PolarHBondContact OD2-NH2 3.21Å |
| 1954 | F | 92.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.013 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 121.8 | 176.5 | -82.6 | -70.6 | 0 | 0 | 0 | 111.4 | Q1956 L1957 I2142 A2146 D2171 M2194 L2207 V2209 | F1954-Q1956 PolarHBondContact O-N 3.16Å; F1954-L1957 HydrophobicContact CB-CB 4.08Å; F1954-L1957 HydrophobicContact CD2-CD2 4.22Å; F1954-L1957 HydrophobicContact CG-CD2 4.47Å; F1954-I2142 HydrophobicContact CE2-CG2 4.23Å; F1954-I2142 HydrophobicContact CZ-CG2 4.06Å; F1954-A2146 HydrophobicContact CE2-CB 3.79Å; F1954-A2146 HydrophobicContact CZ-CB 3.79Å; F1954-D2171 HydrophobicContact CB-CB 4.19Å; F1954-D2171 HydrophobicContact CD2-CB 4.43Å; F1954-D2171 PolarHBondContact N-O 3.34Å; F1954-M2194 HydrophobicContact CD2-CE 3.64Å; F1954-M2194 HydrophobicContact CE1-CB 4.14Å; F1954-M2194 HydrophobicContact CE1-CE 4.48Å; F1954-M2194 WeakPolarHBondContact CE1-O 3.49Å; F1954-M2194 HydrophobicContact CE2-CE 3.46Å; F1954-M2194 VanDerWaalsContact CE2-CE 3.46Å; F1954-M2194 HydrophobicContact CG-CE 4.25Å; F1954-M2194 HydrophobicContact CZ-CB 3.89Å; F1954-M2194 HydrophobicContact CZ-CE 3.92Å; F1954-L2207 HydrophobicContact CD1-CB 4.11Å; F1954-L2207 HydrophobicContact CE1-CB 4.01Å; F1954-L2207 HydrophobicContact CE1-CD1 4.41Å; F1954-V2209 HydrophobicContact CD1-CG2 3.53Å; F1954-V2209 HydrophobicContact CE1-CG2 3.71Å; F1954-V2209 HydrophobicContact CG-CG2 4.27Å |
| 1955 | C | 88 | Confident | 91.8 | Very high | 13 Ų | 13 | 19.5 Ų | 19.5 | 9% | 0.088 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | 90.7 | -176.6 | -68 | 0 | 0 | 0 | 0 | 113 | D1953 R1960 P2208 K2210 | D1953-C1955 PolarHBondContact O-N 3.08Å; C1955-R1960 WeakPolarHBondContact O-CD 3.24Å; C1955-R1960 PolarHBondContact O-NE 3.02Å; C1955-P2208 HydrophobicContact CB-CG 4.02Å; C1955-P2208 WeakPolarHBondContact CB-O 3.47Å; C1955-P2208 PolarHBondContact N-O 3.03Å; C1955-K2210 VanDerWaalsContact SG-CD 3.6Å; C1955-K2210 VanDerWaalsContact SG-CG 3.58Å |
| 1956 | Q | 87.8 | Confident | 92 | Very high | 39 Ų | 39 | 13 Ų | 13 | 18% | 0.182 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 53 | 173.5 | -54.4 | 75.8 | 70 | 0 | 0 | 112.4 | F1954 E1958 L1959 R1960 F1998 | F1954-Q1956 PolarHBondContact O-N 3.16Å; Q1956-E1958 VanDerWaalsContact C-N 3.34Å; Q1956-E1958 PolarHBondContact O-N 3.39Å; Q1956-L1959 HydrophobicContact CB-CB 4.11Å; Q1956-L1959 HydrophobicContact CB-CD2 4.44Å; Q1956-L1959 PolarHBondContact O-N 3.36Å; Q1956-L1959 VanDerWaalsContact O-N 3.13Å; Q1956-R1960 PolarHBondContact O-N 3.38Å; Q1956-R1960 VanDerWaalsContact O-N 3.12Å; Q1956-F1998 HydrophobicContact CB-CZ 4.48Å; Q1956-F1998 HydrophobicContact CG-CD2 4.5Å; Q1956-F1998 HydrophobicContact CG-CE2 3.51Å; Q1956-F1998 HydrophobicContact CG-CZ 3.66Å |
| 1957 | L | 90.9 | Very high | 92 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -51.8 | -47.8 | -174.8 | -178.9 | 54.7 | 0 | 0 | 0 | 113.1 | F1954 L1959 R1960 L1961 A2139 I2142 D2171 L2207 | F1954-L1957 HydrophobicContact CB-CB 4.08Å; F1954-L1957 HydrophobicContact CD2-CD2 4.22Å; F1954-L1957 HydrophobicContact CG-CD2 4.47Å; L1957-L1959 PolarHBondContact O-N 3.44Å; L1957-R1960 PolarHBondContact O-N 3.23Å; L1957-L1961 HydrophobicContact CD1-CD1 4.35Å; L1957-L1961 HydrophobicContact CG-CD1 4.23Å; L1957-L1961 PolarHBondContact O-N 3.14Å; L1957-A2139 HydrophobicContact CD2-CB 3.96Å; L1957-A2139 HydrophobicContact CG-CB 4.13Å; L1957-I2142 HydrophobicContact CD1-CD1 4.02Å; L1957-I2142 HydrophobicContact CD1-CG2 3.97Å; L1957-I2142 HydrophobicContact CD2-CB 4.35Å; L1957-I2142 HydrophobicContact CD2-CG2 4.1Å; L1957-D2171 HydrophobicContact CB-CB 4.31Å; L1957-D2171 HydrophobicContact CD2-CB 3.99Å; L1957-L2207 HydrophobicContact CD1-CD1 4.09Å; L1957-L2207 HydrophobicContact CD1-CD2 3.83Å |
| 1958 | E | 91.9 | Very high | 92 | Very high | 12 Ų | 12 | 17.4 Ų | 17.4 | 6% | 0.056 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67 | -31.2 | -178.4 | -65 | -172.8 | 174.5 | 0 | 0 | 113.6 | R1876 Q1956 L1962 L2030 Y2031 I2135 Q2136 A2139 | R1876-E1958 IonicContact CZ-OE1 2.7Å; R1876-E1958 IonicContact NH2-OE1 3.58Å; R1876-E1958 PolarHBondContact NH2-OE1 2.89Å; Q1956-E1958 VanDerWaalsContact C-N 3.34Å; Q1956-E1958 PolarHBondContact O-N 3.39Å; E1958-L1962 WeakPolarHBondContact O-CB 3.12Å; E1958-L1962 PolarHBondContact O-N 3.47Å; E1958-L2030 HydrophobicContact CB-CD1 4.42Å; E1958-Y2031 VanDerWaalsContact OE2-CE1 3.26Å; E1958-Y2031 WeakPolarHBondContact OE2-CE1 3.36Å; E1958-Y2031 PolarHBondContact OE2-OH 3.09Å; E1958-I2135 HydrophobicContact CB-CG2 3.75Å; E1958-I2135 HydrophobicContact CG-CG2 4.06Å; E1958-I2135 WeakPolarHBondContact O-CG2 3.41Å; E1958-Q2136 WeakPolarHBondContact OE1-CG 3.46Å; E1958-A2139 HydrophobicContact CG-CB 3.9Å |
| 1959 | L | 90.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -71.2 | -36.6 | 173.3 | 173.8 | 55 | 0 | 0 | 0 | 111.4 | Q1956 L1957 L1962 A1963 L1971 L1975 F1998 L2001 | Q1956-L1959 HydrophobicContact CB-CB 4.11Å; Q1956-L1959 HydrophobicContact CB-CD2 4.44Å; Q1956-L1959 PolarHBondContact O-N 3.36Å; Q1956-L1959 VanDerWaalsContact O-N 3.13Å; L1957-L1959 PolarHBondContact O-N 3.44Å; L1959-L1962 HydrophobicContact CD1-CD2 4.5Å; L1959-L1962 WeakPolarHBondContact O-CB 3.42Å; L1959-L1962 PolarHBondContact O-N 3.38Å; L1959-A1963 PolarHBondContact O-N 2.67Å; L1959-L1971 HydrophobicContact CD1-CD1 4.25Å; L1959-L1971 HydrophobicContact CD1-CD2 4.39Å; L1959-L1975 HydrophobicContact CD1-CD1 4.43Å; L1959-L1975 HydrophobicContact CG-CD1 4.04Å; L1959-F1998 HydrophobicContact CD2-CE1 4Å; L1959-F1998 HydrophobicContact CD2-CZ 4.41Å; L1959-L2001 HydrophobicContact CD1-CD1 4.12Å; L1959-L2001 HydrophobicContact CD2-CD1 4.02Å |
| 1960 | R | 90.9 | Very high | 91.2 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.8 | -37.5 | 176.2 | -68.2 | 174.4 | 178.8 | -73.9 | -13.7 | 111.5 | C1955 Q1956 L1957 A1963 Y1964 L1975 V2205 P2206 L2207 | C1955-R1960 WeakPolarHBondContact O-CD 3.24Å; C1955-R1960 PolarHBondContact O-NE 3.02Å; Q1956-R1960 PolarHBondContact O-N 3.38Å; Q1956-R1960 VanDerWaalsContact O-N 3.12Å; L1957-R1960 PolarHBondContact O-N 3.23Å; R1960-A1963 PolarHBondContact O-N 3.26Å; R1960-Y1964 PolarHBondContact O-N 2.62Å; R1960-L1975 PolarHBondContact NH1-O 3.03Å; R1960-V2205 HydrophobicContact CB-CG1 3.84Å; R1960-V2205 HydrophobicContact CG-CG1 3.99Å; R1960-P2206 WeakPolarHBondContact CD-O 3.19Å; R1960-P2206 PolarHBondContact NH1-O 3.03Å; R1960-L2207 HydrophobicContact CB-CD2 3.91Å |
| 1961 | L | 91.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 169.2 | -76.8 | 167.8 | 0 | 0 | 0 | 112.5 | L1957 A1963 Y1964 F1965 I2135 A2139 I2142 | L1957-L1961 HydrophobicContact CD1-CD1 4.35Å; L1957-L1961 HydrophobicContact CG-CD1 4.23Å; L1957-L1961 PolarHBondContact O-N 3.14Å; L1961-A1963 VanDerWaalsContact C-N 3.32Å; L1961-A1963 PolarHBondContact O-N 3.49Å; L1961-Y1964 PolarHBondContact O-N 3.03Å; L1961-F1965 HydrophobicContact CB-CD2 4.35Å; L1961-F1965 HydrophobicContact CB-CE2 4.4Å; L1961-F1965 HydrophobicContact CD2-CE2 3.98Å; L1961-F1965 VanDerWaalsContact O-CD2 3.22Å; L1961-F1965 WeakPolarHBondContact O-CD2 3.33Å; L1961-F1965 PolarHBondContact O-N 3.21Å; L1961-I2135 HydrophobicContact CB-CG2 4.03Å; L1961-I2135 HydrophobicContact CD1-CG2 4.49Å; L1961-A2139 HydrophobicContact CD1-CB 3.69Å; L1961-I2142 HydrophobicContact CD1-CD1 4.16Å; L1961-I2142 HydrophobicContact CD2-CD1 3.8Å; L1961-I2142 HydrophobicContact CG-CD1 4.26Å |
| 1962 | L | 90.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 172.8 | -177 | 66.2 | 0 | 0 | 0 | 111.5 | E1958 L1959 S1966 L2030 V2063 F2066 I2135 | E1958-L1962 WeakPolarHBondContact O-CB 3.12Å; E1958-L1962 PolarHBondContact O-N 3.47Å; L1959-L1962 HydrophobicContact CD1-CD2 4.5Å; L1959-L1962 WeakPolarHBondContact O-CB 3.42Å; L1959-L1962 PolarHBondContact O-N 3.38Å; L1962-S1966 WeakPolarHBondContact O-CB 3.5Å; L1962-S1966 PolarHBondContact O-N 3.18Å; L1962-S1966 PolarHBondContact O-OG 2.83Å; L1962-L2030 HydrophobicContact CB-CD2 3.89Å; L1962-L2030 HydrophobicContact CD1-CD2 4.24Å; L1962-L2030 HydrophobicContact CD2-CD2 3.87Å; L1962-L2030 HydrophobicContact CD2-CG 4.23Å; L1962-L2030 HydrophobicContact CG-CD2 4.22Å; L1962-V2063 HydrophobicContact CD1-CG1 4.15Å; L1962-V2063 HydrophobicContact CD2-CG1 4.25Å; L1962-V2063 HydrophobicContact CD2-CG2 4.31Å; L1962-V2063 HydrophobicContact CG-CG1 4.49Å; L1962-V2063 HydrophobicContact CG-CG2 4.25Å; L1962-F2066 HydrophobicContact CD1-CD1 4.06Å; L1962-F2066 HydrophobicContact CD1-CE1 4.04Å; L1962-I2135 HydrophobicContact CB-CD1 4.15Å; L1962-I2135 HydrophobicContact CD1-CD1 3.67Å |
| 1963 | A | 90.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1959 R1960 L1961 S1966 K1967 L1971 L1972 L1975 V2205 | L1959-A1963 PolarHBondContact O-N 2.67Å; R1960-A1963 PolarHBondContact O-N 3.26Å; L1961-A1963 VanDerWaalsContact C-N 3.32Å; L1961-A1963 PolarHBondContact O-N 3.49Å; A1963-S1966 WeakPolarHBondContact CA-OG 3.47Å; A1963-S1966 PolarHBondContact O-OG 2.93Å; A1963-S1966 VanDerWaalsContact O-OG 3.11Å; A1963-K1967 PolarHBondContact O-N 3.47Å; A1963-L1971 HydrophobicContact CB-CD2 4Å; A1963-L1971 HydrophobicContact CB-CG 3.88Å; A1963-L1972 HydrophobicContact CB-CD2 4.06Å; A1963-L1975 HydrophobicContact CB-CD1 3.78Å; A1963-V2205 HydrophobicContact CB-CG2 4.47Å |
| 1964 | Y | 92.4 | Very high | 89.5 | Confident | 37 Ų | 37 | 32.8 Ų | 32.8 | 15% | 0.145 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -50.2 | 176.1 | 174.8 | -99.5 | 0 | 0 | 0 | 113.1 | R1960 L1961 K1967 L2083 N2202 I2203 | R1960-Y1964 PolarHBondContact O-N 2.62Å; L1961-Y1964 PolarHBondContact O-N 3.03Å; Y1964-K1967 WeakPolarHBondContact O-CG 3.49Å; Y1964-K1967 PolarHBondContact O-N 3.18Å; Y1964-L2083 HydrophobicContact CE1-CD1 3.69Å; Y1964-N2202 PolarHBondContact OH-O 2.99Å; Y1964-I2203 HydrophobicContact CD2-CB 4.48Å; Y1964-I2203 HydrophobicContact CD2-CG2 3.86Å; Y1964-I2203 HydrophobicContact CE2-CG2 4.36Å; Y1964-I2203 HydrophobicContact CG-CG2 4.12Å |
| 1965 | F | 91.9 | Very high | 89 | Confident | 47 Ų | 47 | 33.1 Ų | 33.1 | 21% | 0.206 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.4 | -33.2 | -178.5 | -73.7 | -59.2 | 0 | 0 | 0 | 113.4 | L1961 F2066 L2083 I2134 I2135 S2138 | L1961-F1965 HydrophobicContact CB-CD2 4.35Å; L1961-F1965 HydrophobicContact CB-CE2 4.4Å; L1961-F1965 HydrophobicContact CD2-CE2 3.98Å; L1961-F1965 VanDerWaalsContact O-CD2 3.22Å; L1961-F1965 WeakPolarHBondContact O-CD2 3.33Å; L1961-F1965 PolarHBondContact O-N 3.21Å; F1965-F2066 HydrophobicContact CB-CD2 3.86Å; F1965-F2066 HydrophobicContact CB-CE2 3.66Å; F1965-F2066 HydrophobicContact CB-CG 4.42Å; F1965-F2066 HydrophobicContact CB-CZ 4.05Å; F1965-F2066 HydrophobicContact CG-CE2 4.27Å; F1965-L2083 HydrophobicContact CZ-CB 4.22Å; F1965-L2083 HydrophobicContact CZ-CD1 4.48Å; F1965-I2134 HydrophobicContact CD1-CG2 4.26Å; F1965-I2134 HydrophobicContact CD2-CG2 4.01Å; F1965-I2134 HydrophobicContact CE1-CG2 4.09Å; F1965-I2134 HydrophobicContact CE2-CG2 3.82Å; F1965-I2134 WeakPolarHBondContact CE2-O 3.44Å; F1965-I2134 HydrophobicContact CG-CG2 4.24Å; F1965-I2134 HydrophobicContact CZ-CG2 3.86Å; F1965-I2135 HydrophobicContact CD2-CG1 4.39Å; F1965-S2138 WeakPolarHBondContact CZ-OG 3.34Å |
| 1966 | S | 91.5 | Very high | 88.2 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.3 | -30.6 | 174.9 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | L1962 A1963 D1968 | L1962-S1966 WeakPolarHBondContact O-CB 3.5Å; L1962-S1966 PolarHBondContact O-N 3.18Å; L1962-S1966 PolarHBondContact O-OG 2.83Å; A1963-S1966 WeakPolarHBondContact CA-OG 3.47Å; A1963-S1966 PolarHBondContact O-OG 2.93Å; A1963-S1966 VanDerWaalsContact O-OG 3.11Å; S1966-D1968 PolarHBondContact O-N 3.3Å; S1966-D1968 PolarHBondContact OG-N 3.3Å |
| 1967 | K | 90.6 | Very high | 86.9 | Confident | 137 Ų | 137 | 37.7 Ų | 37.7 | 60% | 0.596 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 32.3 | -168.5 | -55.1 | -165.8 | 178.4 | -157.3 | 0 | 112.3 | A1963 Y1964 V1969 | A1963-K1967 PolarHBondContact O-N 3.47Å; Y1964-K1967 WeakPolarHBondContact O-CG 3.49Å; Y1964-K1967 PolarHBondContact O-N 3.18Å; K1967-V1969 PolarHBondContact O-N 3.38Å |
| 1968 | D | 92.2 | Very high | 85.1 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | trans | -71.1 | 120.3 | 177.9 | -173.4 | -78.6 | 0 | 0 | 0 | 110.1 | S1966 E1970 L1971 L1972 Y2060 P2061 G2062 | S1966-D1968 PolarHBondContact O-N 3.3Å; S1966-D1968 PolarHBondContact OG-N 3.3Å; D1968-E1970 VanDerWaalsContact C-N 3.29Å; D1968-E1970 PolarHBondContact O-N 3.29Å; D1968-E1970 PolarHBondContact OD1-N 3.34Å; D1968-L1971 HydrophobicContact CB-CB 3.98Å; D1968-L1971 PolarHBondContact O-N 2.96Å; D1968-L1971 PolarHBondContact OD1-N 3.4Å; D1968-L1972 VanDerWaalsContact O-CB 3.25Å; D1968-L1972 WeakPolarHBondContact O-CB 3.29Å; D1968-L1972 WeakPolarHBondContact O-CG 3.45Å; D1968-L1972 PolarHBondContact O-N 3.26Å; D1968-Y2060 VanDerWaalsContact OD2-CA 3.24Å; D1968-Y2060 WeakPolarHBondContact OD2-CA 3.11Å; D1968-P2061 WeakPolarHBondContact OD2-CD 3.39Å; D1968-G2062 WeakPolarHBondContact OD2-CA 3.49Å; D1968-G2062 PolarHBondContact OD2-N 3.39Å | ||
| 1969 | V | 87.1 | Confident | 82.8 | Confident | 93 Ų | 93 | 46.6 Ų | 46.6 | 56% | 0.564 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64.7 | -33.4 | -170.4 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | K1967 K1973 | K1967-V1969 PolarHBondContact O-N 3.38Å; V1969-K1973 HydrophobicContact CG1-CD 4.39Å; V1969-K1973 WeakPolarHBondContact O-CD 3.34Å; V1969-K1973 WeakPolarHBondContact O-CG 3.39Å; V1969-K1973 PolarHBondContact O-N 2.91Å |
| 1970 | E | 86.5 | Confident | 80.3 | Confident | 66 Ų | 66 | 54 Ų | 54 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -81.4 | -43.9 | -179.8 | -65.1 | -57 | 114 | 0 | 0 | 111.1 | D1968 L1972 K1973 L1974 H2004 Y2060 | D1968-E1970 VanDerWaalsContact C-N 3.29Å; D1968-E1970 PolarHBondContact O-N 3.29Å; D1968-E1970 PolarHBondContact OD1-N 3.34Å; E1970-L1972 VanDerWaalsContact C-N 3.31Å; E1970-L1972 PolarHBondContact O-N 3.21Å; E1970-K1973 PolarHBondContact O-N 3.08Å; E1970-K1973 IonicContact OE1-NZ 3.51Å; E1970-K1973 PolarHBondContact OE1-NZ 3.18Å; E1970-L1974 VanDerWaalsContact O-CG 3.31Å; E1970-L1974 WeakPolarHBondContact O-CG 3.36Å; E1970-L1974 PolarHBondContact O-N 2.99Å; E1970-H2004 IonicContact OE2-CE1 3.58Å; E1970-H2004 IonicContact OE2-NE2 3.21Å; E1970-H2004 PolarHBondContact OE2-NE2 3.13Å; E1970-Y2060 HydrophobicContact CB-CD1 4.35Å; E1970-Y2060 HydrophobicContact CB-CE1 4.34Å |
| 1971 | L | 87 | Confident | 77.5 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -37 | 176.5 | -170.2 | 60.2 | 0 | 0 | 0 | 112.2 | L1959 A1963 D1968 L1974 L1975 L2001 Y2060 V2063 | L1959-L1971 HydrophobicContact CD1-CD1 4.25Å; L1959-L1971 HydrophobicContact CD1-CD2 4.39Å; A1963-L1971 HydrophobicContact CB-CD2 4Å; A1963-L1971 HydrophobicContact CB-CG 3.88Å; D1968-L1971 HydrophobicContact CB-CB 3.98Å; D1968-L1971 PolarHBondContact O-N 2.96Å; D1968-L1971 PolarHBondContact OD1-N 3.4Å; L1971-L1974 PolarHBondContact O-N 3.47Å; L1971-L1975 HydrophobicContact CD1-CD1 4.01Å; L1971-L1975 HydrophobicContact CG-CD1 4.11Å; L1971-L1975 WeakPolarHBondContact O-CG 3.48Å; L1971-L1975 PolarHBondContact O-N 3.33Å; L1971-L2001 HydrophobicContact CD1-CD1 4.1Å; L1971-Y2060 HydrophobicContact CB-CD1 3.93Å; L1971-Y2060 HydrophobicContact CB-CE1 4.29Å; L1971-Y2060 HydrophobicContact CD1-CE1 4.38Å; L1971-V2063 HydrophobicContact CD2-CG2 3.91Å |
| 1972 | L | 87.2 | Confident | 74.5 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.2 | -51.2 | 172.2 | -75.4 | 172.9 | 0 | 0 | 0 | 111.3 | A1963 D1968 E1970 L1974 L1975 S1976 V2205 | A1963-L1972 HydrophobicContact CB-CD2 4.06Å; D1968-L1972 VanDerWaalsContact O-CB 3.25Å; D1968-L1972 WeakPolarHBondContact O-CB 3.29Å; D1968-L1972 WeakPolarHBondContact O-CG 3.45Å; D1968-L1972 PolarHBondContact O-N 3.26Å; E1970-L1972 VanDerWaalsContact C-N 3.31Å; E1970-L1972 PolarHBondContact O-N 3.21Å; L1972-L1974 VanDerWaalsContact C-N 3.28Å; L1972-L1974 PolarHBondContact O-N 2.97Å; L1972-L1975 PolarHBondContact O-N 2.84Å; L1972-L1975 VanDerWaalsContact O-N 3.08Å; L1972-S1976 VanDerWaalsContact O-CB 3.25Å; L1972-S1976 WeakPolarHBondContact O-CB 3.24Å; L1972-S1976 PolarHBondContact O-N 3.03Å; L1972-S1976 PolarHBondContact O-OG 2.88Å; L1972-V2205 HydrophobicContact CD2-CG2 3.4Å; L1972-V2205 VanDerWaalsContact CD2-CG2 3.4Å |
| 1973 | K | 82.9 | Confident | 71.6 | Confident | 113 Ų | 113 | 71.3 Ų | 71.3 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.3 | -41.3 | 176.9 | -75.7 | 165.7 | -175.4 | 172.6 | 0 | 112.7 | V1969 E1970 L1975 S1976 | V1969-K1973 HydrophobicContact CG1-CD 4.39Å; V1969-K1973 WeakPolarHBondContact O-CD 3.34Å; V1969-K1973 WeakPolarHBondContact O-CG 3.39Å; V1969-K1973 PolarHBondContact O-N 2.91Å; E1970-K1973 PolarHBondContact O-N 3.08Å; E1970-K1973 IonicContact OE1-NZ 3.51Å; E1970-K1973 PolarHBondContact OE1-NZ 3.18Å; K1973-L1975 VanDerWaalsContact C-N 3.26Å; K1973-L1975 PolarHBondContact O-N 3.25Å; K1973-S1976 PolarHBondContact O-OG 3.06Å |
| 1974 | L | 83.8 | Confident | 68.7 | Low | 36 Ų | 36 | 78.3 Ų | 78.3 | 19% | 0.188 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.5 | -27.9 | -180 | -72.6 | 167.7 | 0 | 0 | 0 | 113.1 | E1970 L1971 L1972 H2004 Y2060 | E1970-L1974 VanDerWaalsContact O-CG 3.31Å; E1970-L1974 WeakPolarHBondContact O-CG 3.36Å; E1970-L1974 PolarHBondContact O-N 2.99Å; L1971-L1974 PolarHBondContact O-N 3.47Å; L1972-L1974 VanDerWaalsContact C-N 3.28Å; L1972-L1974 PolarHBondContact O-N 2.97Å; L1974-H2004 HydrophobicContact CD1-CB 3.88Å; L1974-H2004 HydrophobicContact CD2-CB 4.2Å; L1974-Y2060 HydrophobicContact CD1-CE1 3.91Å |
| 1975 | L | 83 | Confident | 65.7 | Low | 10 Ų | 10 | 81.6 Ų | 81.6 | 5% | 0.052 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -108.7 | -14.8 | -173.4 | -64.7 | 172.5 | 0 | 0 | 0 | 114.5 | L1959 R1960 A1963 L1971 L1972 K1973 A1997 V2205 P2206 | L1959-L1975 HydrophobicContact CD1-CD1 4.43Å; L1959-L1975 HydrophobicContact CG-CD1 4.04Å; R1960-L1975 PolarHBondContact NH1-O 3.03Å; A1963-L1975 HydrophobicContact CB-CD1 3.78Å; L1971-L1975 HydrophobicContact CD1-CD1 4.01Å; L1971-L1975 HydrophobicContact CG-CD1 4.11Å; L1971-L1975 WeakPolarHBondContact O-CG 3.48Å; L1971-L1975 PolarHBondContact O-N 3.33Å; L1972-L1975 PolarHBondContact O-N 2.84Å; L1972-L1975 VanDerWaalsContact O-N 3.08Å; K1973-L1975 VanDerWaalsContact C-N 3.26Å; K1973-L1975 PolarHBondContact O-N 3.25Å; L1975-A1997 HydrophobicContact CD2-CB 4.14Å; L1975-V2205 HydrophobicContact CB-CG1 4.39Å; L1975-P2206 WeakPolarHBondContact O-CG 3.24Å |
| 1976 | S | 70.6 | Confident | 62.8 | Low | 63 Ų | 63 | 86.3 Ų | 86.3 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -82.7 | -13.3 | 179.4 | 68.9 | 0 | 0 | 0 | 0 | 114.2 | L1972 K1973 V1978 | L1972-S1976 VanDerWaalsContact O-CB 3.25Å; L1972-S1976 WeakPolarHBondContact O-CB 3.24Å; L1972-S1976 PolarHBondContact O-N 3.03Å; L1972-S1976 PolarHBondContact O-OG 2.88Å; K1973-S1976 PolarHBondContact O-OG 3.06Å; S1976-V1978 PolarHBondContact O-N 2.94Å |
| 1977 | V | 61.3 | Low | 59.8 | Low | 85 Ų | 85 | 95.1 Ų | 95.1 | 52% | 0.515 | 53% | 0.528 | S | S | . | . | trans | -72.4 | 92.9 | 175.7 | -179 | 0 | 0 | 0 | 0 | 109.5 | E1979 | V1977-E1979 HydrophobicContact CG1-CG 4.46Š| ||
| 1978 | V | 53 | Low | 56.9 | Low | 81 Ų | 81 | 93.2 Ų | 93.2 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | trans | -79.3 | 115.9 | 161.9 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | S1976 H1980 P2206 | S1976-V1978 PolarHBondContact O-N 2.94Å; V1978-H1980 PolarHBondContact O-N 3.25Å; V1978-P2206 HydrophobicContact CG2-CB 3.5Å; V1978-P2206 VanDerWaalsContact CG2-CB 3.5Å; V1978-P2206 HydrophobicContact CG2-CG 3.56Å | ||
| 1979 | E | 42.8 | Very low | 54 | Low | 119 Ų | 119 | 100.5 Ų | 100.5 | 56% | 0.556 | 57% | 0.57 | S | S | * | * | trans | -71.6 | 98.4 | 171 | -77.2 | 159.3 | -150.2 | 0 | 0 | 108.3 | V1977 A1981 S1995 K2000 | V1977-E1979 HydrophobicContact CG1-CG 4.46Å; E1979-A1981 PolarHBondContact O-N 2.85Å; E1979-S1995 WeakPolarHBondContact OE1-CB 3.36Å; E1979-K2000 IonicContact OE1-NZ 2.65Å; E1979-K2000 PolarHBondContact OE1-NZ 3.45Å | ||
| 1980 | H | 38.2 | Very low | 51.3 | Low | 157 Ų | 157 | 103 Ų | 103 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | trans | -66.2 | 101 | 177 | -86.5 | -90.4 | 0 | 0 | 0 | 110.2 | V1978 S1982 | V1978-H1980 PolarHBondContact O-N 3.25Å; H1980-S1982 PolarHBondContact O-N 3.28Å | ||
| 1981 | A | 33.7 | Very low | 48.8 | Very low | 106 Ų | 106 | 105.6 Ų | 105.6 | 88% | 0.876 | 60% | 0.597 | S | S | * | * | trans | -69 | 76.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | E1979 | E1979-A1981 PolarHBondContact O-N 2.85Š| ||
| 1982 | S | 28.4 | Very low | 46.2 | Very low | 89 Ų | 89 | 111.7 Ų | 111.7 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | trans | -145.6 | 111.6 | -179.9 | -73 | 0 | 0 | 0 | 0 | 112.5 | H1980 | H1980-S1982 PolarHBondContact O-N 3.28Š| ||
| 1983 | Q | 28.5 | Very low | 44.1 | Very low | 192 Ų | 192 | 114.2 Ų | 114.2 | 90% | 0.897 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 63.7 | 64.9 | 150.8 | -55 | -177.5 | 2 | 0 | 0 | 119.4 | ||
| 1984 | T | 30.4 | Very low | 42.5 | Very low | 147 Ų | 147 | 113.2 Ų | 113.2 | 90% | 0.902 | 65% | 0.649 | S | S | * | * | trans | -139.3 | 134.7 | 135 | 42.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1985 | A | 30.1 | Very low | 41.3 | Very low | 107 Ų | 107 | 113.9 Ų | 113.9 | 88% | 0.884 | 66% | 0.656 | S | S | * | * | trans | -98.5 | 109 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1986 | D | 30.7 | Very low | 40.8 | Very low | 145 Ų | 145 | 115.7 Ų | 115.7 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | trans | -142 | 141.4 | 161.2 | -156.5 | -25.1 | 0 | 0 | 0 | 108.9 | ||||
| 1987 | Q | 28.6 | Very low | 41.2 | Very low | 195 Ų | 195 | 112.9 Ų | 112.9 | 91% | 0.911 | 65% | 0.647 | S | S | * | * | trans | -117.9 | 64.9 | -163.2 | -68.6 | -174.6 | -17.3 | 0 | 0 | 111.8 | ||||
| 1988 | S | 29.5 | Very low | 42.4 | Very low | 97 Ų | 97 | 109.3 Ų | 109.3 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | trans | -153.4 | 5 | -177.9 | 56.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1989 | I | 31.3 | Very low | 44 | Very low | 160 Ų | 160 | 107.5 Ų | 107.5 | 82% | 0.821 | 61% | 0.61 | S | S | * | * | trans | -126.1 | 128.3 | -178.4 | -55.3 | -179.8 | 0 | 0 | 0 | 110.8 | ||||
| 1990 | E | 30.1 | Very low | 45.9 | Very low | 146 Ų | 146 | 103.8 Ų | 103.8 | 68% | 0.682 | 59% | 0.592 | S | S | * | * | trans | -66.9 | 139.5 | 174.9 | -63.6 | -174.8 | 156.5 | 0 | 0 | 111.6 | N1992 | E1990-N1992 HydrophobicContact CB-CB 4.25Å; E1990-N1992 PolarHBondContact O-N 3.23Å; E1990-N1992 PolarHBondContact OE2-ND2 2.84Å | ||
| 1991 | P | 32.9 | Very low | 48.3 | Very low | 119 Ų | 119 | 96.5 Ų | 96.5 | 77% | 0.773 | 56% | 0.558 | S | S | * | * | trans | -78.1 | 50.7 | 179.9 | 34.3 | -37.2 | 0 | 0 | 0 | 112.5 | S1993 | P1991-S1993 PolarHBondContact O-N 2.83Š| ||
| 1992 | N | 33.1 | Very low | 50.8 | Low | 130 Ų | 130 | 91.4 Ų | 91.4 | 70% | 0.695 | 52% | 0.517 | S | S | * | . | trans | -97.3 | 31.4 | -166 | -98 | -31.2 | 0 | 0 | 0 | 115.3 | E1990 | E1990-N1992 HydrophobicContact CB-CB 4.25Å; E1990-N1992 PolarHBondContact O-N 3.23Å; E1990-N1992 PolarHBondContact OE2-ND2 2.84Å | ||
| 1993 | S | 42.6 | Very low | 53.6 | Low | 101 Ų | 101 | 87.6 Ų | 87.6 | 71% | 0.706 | 49% | 0.49 | S | S | * | . | trans | -159.8 | 97.7 | 152.3 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | P1991 S1995 | P1991-S1993 PolarHBondContact O-N 2.83Å; S1993-S1995 PolarHBondContact O-N 2.98Å | ||
| 1994 | E | 49.2 | Very low | 56.4 | Low | 92 Ų | 92 | 81.1 Ų | 81.1 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | trans | -55.4 | 136.6 | 149.2 | -87.8 | -169.2 | 149.5 | 0 | 0 | 108.5 | D1996 K2210 Q2222 | E1994-D1996 PolarHBondContact O-N 2.9Å; E1994-K2210 IonicContact OE2-NZ 3.19Å; E1994-K2210 PolarHBondContact OE2-NZ 3.43Å; E1994-Q2222 PolarHBondContact OE1-NE2 3.03Å; E1994-Q2222 PolarHBondContact OE2-NE2 3.49Å | ||
| 1995 | S | 58.5 | Low | 59.2 | Low | 50 Ų | 50 | 74.5 Ų | 74.5 | 35% | 0.35 | 42% | 0.419 | S | S | . | . | trans | -71 | 95 | -168.2 | 95.2 | 0 | 0 | 0 | 0 | 111.7 | E1979 S1993 A1997 K2000 | E1979-S1995 WeakPolarHBondContact OE1-CB 3.36Å; S1993-S1995 PolarHBondContact O-N 2.98Å; S1995-A1997 PolarHBondContact O-N 3.28Å; S1995-A1997 VanDerWaalsContact O-N 3.12Å; S1995-K2000 WeakPolarHBondContact OG-CE 3.25Å; S1995-K2000 PolarHBondContact OG-NZ 3.38Å | ||
| 1996 | D | 73.4 | Confident | 61.9 | Low | 48 Ų | 48 | 72.4 Ų | 72.4 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | trans | -63 | 115.3 | -178.1 | -175 | -67.5 | 0 | 0 | 0 | 110.6 | E1994 F1998 K1999 K2000 R2019 | E1994-D1996 PolarHBondContact O-N 2.9Å; D1996-F1998 VanDerWaalsContact C-N 3.25Å; D1996-F1998 PolarHBondContact O-N 3.17Å; D1996-F1998 WeakPolarHBondContact OD1-CA 3.23Å; D1996-F1998 WeakPolarHBondContact OD1-CB 3.36Å; D1996-F1998 PolarHBondContact OD1-N 2.81Å; D1996-K1999 HydrophobicContact CB-CB 4.09Å; D1996-K1999 HydrophobicContact CB-CG 4.04Å; D1996-K1999 PolarHBondContact O-N 3.32Å; D1996-K1999 VanDerWaalsContact O-N 3.07Å; D1996-K1999 PolarHBondContact OD1-N 3.48Å; D1996-K2000 PolarHBondContact O-N 2.89Å; D1996-R2019 IonicContact OD1-NE 3.03Å; D1996-R2019 PolarHBondContact OD1-NE 2.82Å; D1996-R2019 IonicContact OD2-CZ 3.91Å; D1996-R2019 IonicContact OD2-NE 2.7Å; D1996-R2019 PolarHBondContact OD2-NE 3.26Å; D1996-R2019 IonicContact OD2-NH2 3.19Å; D1996-R2019 PolarHBondContact OD2-NH2 3.44Å | ||
| 1997 | A | 79.9 | Confident | 64.5 | Low | 5 Ų | 5 | 72.6 Ų | 72.6 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.6 | -35.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1975 S1995 K2000 L2001 | L1975-A1997 HydrophobicContact CD2-CB 4.14Å; S1995-A1997 PolarHBondContact O-N 3.28Å; S1995-A1997 VanDerWaalsContact O-N 3.12Å; A1997-K2000 PolarHBondContact O-N 3.37Å; A1997-L2001 WeakPolarHBondContact O-CB 3.18Å; A1997-L2001 PolarHBondContact O-N 2.84Å |
| 1998 | F | 86.5 | Confident | 67.2 | Low | 9 Ų | 9 | 64.8 Ų | 64.8 | 4% | 0.039 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75.1 | -29.7 | 177.6 | -59.2 | -70.7 | 0 | 0 | 0 | 112 | Q1956 L1959 D1996 A2002 R2019 K2023 C2026 Y2027 | Q1956-F1998 HydrophobicContact CB-CZ 4.48Å; Q1956-F1998 HydrophobicContact CG-CD2 4.5Å; Q1956-F1998 HydrophobicContact CG-CE2 3.51Å; Q1956-F1998 HydrophobicContact CG-CZ 3.66Å; L1959-F1998 HydrophobicContact CD2-CE1 4Å; L1959-F1998 HydrophobicContact CD2-CZ 4.41Å; D1996-F1998 VanDerWaalsContact C-N 3.25Å; D1996-F1998 PolarHBondContact O-N 3.17Å; D1996-F1998 WeakPolarHBondContact OD1-CA 3.23Å; D1996-F1998 WeakPolarHBondContact OD1-CB 3.36Å; D1996-F1998 PolarHBondContact OD1-N 2.81Å; F1998-A2002 WeakPolarHBondContact O-CB 3.5Å; F1998-A2002 PolarHBondContact O-N 2.9Å; F1998-R2019 HydrophobicContact CB-CG 3.94Å; F1998-K2023 HydrophobicContact CD1-CB 3.83Å; F1998-K2023 HydrophobicContact CD1-CG 4.21Å; F1998-K2023 HydrophobicContact CD2-CB 4.37Å; F1998-K2023 HydrophobicContact CD2-CG 4.4Å; F1998-K2023 HydrophobicContact CE1-CB 4.08Å; F1998-K2023 HydrophobicContact CE1-CG 3.97Å; F1998-K2023 HydrophobicContact CE2-CD 4.37Å; F1998-K2023 HydrophobicContact CE2-CG 4.16Å; F1998-K2023 HydrophobicContact CG-CB 3.99Å; F1998-K2023 HydrophobicContact CG-CG 4.43Å; F1998-K2023 HydrophobicContact CZ-CB 4.47Å; F1998-K2023 HydrophobicContact CZ-CG 3.95Å; F1998-C2026 HydrophobicContact CE1-CB 4.48Å; F1998-Y2027 HydrophobicContact CE1-CE2 4.19Å; F1998-Y2027 AromaticContact CZ-CE2 3.76Å; F1998-Y2027 HydrophobicContact CZ-CE2 3.76Å |
| 1999 | K | 84.8 | Confident | 69.5 | Low | 44 Ų | 44 | 64.8 Ų | 64.8 | 19% | 0.191 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.2 | -40.7 | 168.1 | -65.2 | -158.2 | 178.9 | -153.7 | 0 | 112.6 | D1996 A2003 V2014 D2016 R2019 | D1996-K1999 HydrophobicContact CB-CB 4.09Å; D1996-K1999 HydrophobicContact CB-CG 4.04Å; D1996-K1999 PolarHBondContact O-N 3.32Å; D1996-K1999 VanDerWaalsContact O-N 3.07Å; D1996-K1999 PolarHBondContact OD1-N 3.48Å; K1999-A2003 VanDerWaalsContact O-CB 3.26Å; K1999-A2003 WeakPolarHBondContact O-CB 3.43Å; K1999-A2003 PolarHBondContact O-N 2.93Å; K1999-V2014 HydrophobicContact CB-CB 4.23Å; K1999-V2014 HydrophobicContact CB-CG1 4.38Å; K1999-V2014 HydrophobicContact CD-CB 4.3Å; K1999-V2014 HydrophobicContact CG-CB 4.23Å; K1999-V2014 HydrophobicContact CG-CG1 4.13Å; K1999-V2014 PolarHBondContact NZ-O 3.44Å; K1999-D2016 WeakPolarHBondContact CE-OD1 3.29Å; K1999-D2016 IonicContact NZ-OD1 3.02Å; K1999-D2016 PolarHBondContact NZ-OD1 2.91Å; K1999-R2019 HydrophobicContact CG-CB 4.06Å; K1999-R2019 HydrophobicContact CG-CG 3.82Å |
| 2000 | K | 84.2 | Confident | 71.7 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 172.4 | -82.1 | 179.2 | 167.8 | 169.2 | 0 | 111.3 | E1979 S1995 D1996 A1997 A2003 H2004 | E1979-K2000 IonicContact OE1-NZ 2.65Å; E1979-K2000 PolarHBondContact OE1-NZ 3.45Å; S1995-K2000 WeakPolarHBondContact OG-CE 3.25Å; S1995-K2000 PolarHBondContact OG-NZ 3.38Å; D1996-K2000 PolarHBondContact O-N 2.89Å; A1997-K2000 PolarHBondContact O-N 3.37Å; K2000-A2003 PolarHBondContact O-N 3.26Å; K2000-H2004 PolarHBondContact O-N 2.96Å |
| 2001 | L | 87.6 | Confident | 73.9 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.7 | -38.6 | -179.3 | 173.4 | 154.5 | 0 | 0 | 0 | 113.3 | L1959 L1971 A1997 W2005 A2022 F2056 Y2060 | L1959-L2001 HydrophobicContact CD1-CD1 4.12Å; L1959-L2001 HydrophobicContact CD2-CD1 4.02Å; L1971-L2001 HydrophobicContact CD1-CD1 4.1Å; A1997-L2001 WeakPolarHBondContact O-CB 3.18Å; A1997-L2001 PolarHBondContact O-N 2.84Å; L2001-W2005 VanDerWaalsContact O-CB 3.26Å; L2001-W2005 WeakPolarHBondContact O-CB 3.41Å; L2001-W2005 PolarHBondContact O-N 3.37Å; L2001-W2005 VanDerWaalsContact O-N 3.09Å; L2001-A2022 HydrophobicContact CD2-CB 3.88Å; L2001-F2056 HydrophobicContact CD1-CE2 4.5Å; L2001-F2056 HydrophobicContact CD1-CZ 4.24Å; L2001-F2056 HydrophobicContact CD2-CE2 3.78Å; L2001-F2056 HydrophobicContact CD2-CZ 4.31Å; L2001-F2056 HydrophobicContact CG-CE2 4.23Å; L2001-F2056 HydrophobicContact CG-CZ 4.44Å; L2001-Y2060 PolarHBondContact O-OH 2.77Å |
| 2002 | A | 87.2 | Confident | 76.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -37 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1998 L2006 V2014 A2022 | F1998-A2002 WeakPolarHBondContact O-CB 3.5Å; F1998-A2002 PolarHBondContact O-N 2.9Å; A2002-L2006 VanDerWaalsContact O-CB 3.28Å; A2002-L2006 WeakPolarHBondContact O-CB 3.38Å; A2002-L2006 WeakPolarHBondContact O-CG 3.38Å; A2002-L2006 PolarHBondContact O-N 2.79Å; A2002-V2014 HydrophobicContact CB-CG1 3.79Å; A2002-V2014 HydrophobicContact CB-CG2 4.39Å; A2002-A2022 HydrophobicContact CB-CB 3.67Å |
| 2003 | A | 87.1 | Confident | 78.4 | Confident | 8 Ų | 8 | 57.3 Ų | 57.3 | 7% | 0.066 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -48 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K1999 K2000 N2007 I2008 V2014 | K1999-A2003 VanDerWaalsContact O-CB 3.26Å; K1999-A2003 WeakPolarHBondContact O-CB 3.43Å; K1999-A2003 PolarHBondContact O-N 2.93Å; K2000-A2003 PolarHBondContact O-N 3.26Å; A2003-N2007 CarbonylContact O-C 3.57Å; A2003-N2007 WeakPolarHBondContact O-CA 3.31Å; A2003-N2007 PolarHBondContact O-N 2.88Å; A2003-I2008 HydrophobicContact CB-CB 4.42Å; A2003-I2008 PolarHBondContact O-N 2.91Å; A2003-V2014 HydrophobicContact CB-CG2 3.8Å |
| 2004 | H | 87.6 | Confident | 80.2 | Confident | 57 Ų | 57 | 52.6 Ų | 52.6 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63 | -50.8 | 176.2 | -171.4 | -75.7 | 0 | 0 | 0 | 111.5 | E1970 L1974 K2000 L2006 N2007 Y2060 | E1970-H2004 IonicContact OE2-CE1 3.58Å; E1970-H2004 IonicContact OE2-NE2 3.21Å; E1970-H2004 PolarHBondContact OE2-NE2 3.13Å; L1974-H2004 HydrophobicContact CD1-CB 3.88Å; L1974-H2004 HydrophobicContact CD2-CB 4.2Å; K2000-H2004 PolarHBondContact O-N 2.96Å; H2004-L2006 VanDerWaalsContact C-N 3.34Å; H2004-L2006 PolarHBondContact O-N 2.85Å; H2004-N2007 PolarHBondContact O-N 2.86Å; H2004-N2007 VanDerWaalsContact O-N 3.13Å; H2004-Y2060 AromaticContact ND1-CE1 3.93Å; H2004-Y2060 AromaticContact ND1-CZ 3.95Å |
| 2005 | W | 87.6 | Confident | 81.9 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.1 | -38.5 | 179.6 | 172.2 | 46.7 | 0 | 0 | 0 | 114.1 | L2001 A2022 L2025 L2052 S2055 F2056 Y2060 | L2001-W2005 VanDerWaalsContact O-CB 3.26Å; L2001-W2005 WeakPolarHBondContact O-CB 3.41Å; L2001-W2005 PolarHBondContact O-N 3.37Å; L2001-W2005 VanDerWaalsContact O-N 3.09Å; W2005-A2022 HydrophobicContact CE3-CB 4.28Å; W2005-A2022 HydrophobicContact CZ3-CB 4.28Å; W2005-L2025 HydrophobicContact CD2-CD2 4.48Å; W2005-L2025 HydrophobicContact CE3-CD2 4.47Å; W2005-L2025 HydrophobicContact CH2-CD2 3.39Å; W2005-L2025 HydrophobicContact CZ2-CD2 3.37Å; W2005-L2025 HydrophobicContact CZ3-CD2 3.97Å; W2005-L2052 HydrophobicContact CH2-CD2 3.94Å; W2005-L2052 HydrophobicContact CZ2-CB 4.47Å; W2005-L2052 HydrophobicContact CZ2-CD2 3.78Å; W2005-S2055 PolarHBondContact NE1-OG 3.03Å; W2005-F2056 HydrophobicContact CD2-CD2 4.19Å; W2005-F2056 HydrophobicContact CG-CD2 4.1Å; W2005-Y2060 HydrophobicContact CB-CE2 4.5Å |
| 2006 | L | 87.3 | Confident | 82.7 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 6.1 | -179.9 | -58.7 | 177.7 | 0 | 0 | 0 | 113.7 | A2002 H2004 I2008 Q2018 | A2002-L2006 VanDerWaalsContact O-CB 3.28Å; A2002-L2006 WeakPolarHBondContact O-CB 3.38Å; A2002-L2006 WeakPolarHBondContact O-CG 3.38Å; A2002-L2006 PolarHBondContact O-N 2.79Å; H2004-L2006 VanDerWaalsContact C-N 3.34Å; H2004-L2006 PolarHBondContact O-N 2.85Å; L2006-I2008 VanDerWaalsContact C-N 3.26Å; L2006-I2008 HydrophobicContact CB-CD1 3.83Å; L2006-I2008 HydrophobicContact CB-CG1 3.95Å; L2006-I2008 HydrophobicContact CD1-CD1 4.1Å; L2006-I2008 PolarHBondContact O-N 2.91Å; L2006-Q2018 HydrophobicContact CD1-CB 4.17Å; L2006-Q2018 HydrophobicContact CD1-CG 3.98Å |
| 2007 | N | 86.3 | Confident | 82.9 | Confident | 148 Ų | 148 | 57.4 Ų | 57.4 | 79% | 0.791 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 38.1 | -174.2 | -68.2 | -80.6 | 0 | 0 | 0 | 114.3 | A2003 H2004 | A2003-N2007 CarbonylContact O-C 3.57Å; A2003-N2007 WeakPolarHBondContact O-CA 3.31Å; A2003-N2007 PolarHBondContact O-N 2.88Å; H2004-N2007 PolarHBondContact O-N 2.86Å; H2004-N2007 VanDerWaalsContact O-N 3.13Å |
| 2008 | I | 85.7 | Confident | 83.1 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 16% | 0.159 | 32% | 0.32 | C | S | . | . | trans | -87.4 | 124.5 | 174.3 | -59 | 168.3 | 0 | 0 | 0 | 108 | A2003 L2006 H2010 Q2013 V2014 | A2003-I2008 HydrophobicContact CB-CB 4.42Å; A2003-I2008 PolarHBondContact O-N 2.91Å; L2006-I2008 VanDerWaalsContact C-N 3.26Å; L2006-I2008 HydrophobicContact CB-CD1 3.83Å; L2006-I2008 HydrophobicContact CB-CG1 3.95Å; L2006-I2008 HydrophobicContact CD1-CD1 4.1Å; L2006-I2008 PolarHBondContact O-N 2.91Å; I2008-H2010 VanDerWaalsContact C-N 3.3Å; I2008-H2010 PolarHBondContact O-N 2.77Å; I2008-Q2013 HydrophobicContact CG2-CB 3.67Å; I2008-V2014 HydrophobicContact CD1-CG2 4.15Å | ||
| 2009 | P | 76.5 | Confident | 83.1 | Confident | 98 Ų | 98 | 62.5 Ų | 62.5 | 64% | 0.636 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -68.6 | -21.7 | -167 | 25.2 | -34.7 | 0 | 0 | 0 | 115 | ||
| 2010 | H | 77.6 | Confident | 82.8 | Confident | 115 Ų | 115 | 61.4 Ų | 61.4 | 53% | 0.532 | 33% | 0.325 | S | S | . | . | trans | -138.5 | 136.3 | 179.2 | -56.9 | -50.9 | 0 | 0 | 0 | 111.8 | I2008 N2012 Q2013 | I2008-H2010 VanDerWaalsContact C-N 3.3Å; I2008-H2010 PolarHBondContact O-N 2.77Å; H2010-N2012 WeakPolarHBondContact CB-OD1 3.32Å; H2010-N2012 PolarHBondContact O-N 2.75Å; H2010-Q2013 HydrophobicContact CB-CG 4.45Å; H2010-Q2013 WeakPolarHBondContact O-CB 3.49Å; H2010-Q2013 PolarHBondContact O-N 3.47Å; H2010-Q2013 VanDerWaalsContact O-N 3.07Å | ||
| 2011 | S | 77 | Confident | 82.7 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 35% | 0.35 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -66.2 | -20.2 | -176.3 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | Q2013 V2014 | S2011-Q2013 VanDerWaalsContact C-N 3.28Å; S2011-Q2013 PolarHBondContact O-N 3.15Å; S2011-V2014 WeakPolarHBondContact O-CB 3.27Å; S2011-V2014 PolarHBondContact O-N 2.95Å |
| 2012 | N | 78.2 | Confident | 82.6 | Confident | 130 Ų | 130 | 61.8 Ų | 61.8 | 70% | 0.695 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -72.4 | -18.3 | 173.6 | 61.7 | -3.4 | 0 | 0 | 0 | 113.4 | H2010 V2014 | H2010-N2012 WeakPolarHBondContact CB-OD1 3.32Å; H2010-N2012 PolarHBondContact O-N 2.75Å; N2012-V2014 VanDerWaalsContact C-N 3.29Å |
| 2013 | Q | 82 | Confident | 82.6 | Confident | 103 Ų | 103 | 65.1 Ų | 65.1 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -81.6 | -7.6 | 173.8 | -62.8 | 175.6 | -5.2 | 0 | 0 | 112.7 | I2008 H2010 S2011 T2015 | I2008-Q2013 HydrophobicContact CG2-CB 3.67Å; H2010-Q2013 HydrophobicContact CB-CG 4.45Å; H2010-Q2013 WeakPolarHBondContact O-CB 3.49Å; H2010-Q2013 PolarHBondContact O-N 3.47Å; H2010-Q2013 VanDerWaalsContact O-N 3.07Å; S2011-Q2013 VanDerWaalsContact C-N 3.28Å; S2011-Q2013 PolarHBondContact O-N 3.15Å; Q2013-T2015 PolarHBondContact O-N 3.17Å |
| 2014 | V | 80.9 | Confident | 82.3 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | trans | -76.6 | 114.5 | 178.2 | 179 | 0 | 0 | 0 | 0 | 110.5 | K1999 A2002 A2003 I2008 S2011 N2012 Q2018 R2019 | K1999-V2014 HydrophobicContact CB-CB 4.23Å; K1999-V2014 HydrophobicContact CB-CG1 4.38Å; K1999-V2014 HydrophobicContact CD-CB 4.3Å; K1999-V2014 HydrophobicContact CG-CB 4.23Å; K1999-V2014 HydrophobicContact CG-CG1 4.13Å; K1999-V2014 PolarHBondContact NZ-O 3.44Å; A2002-V2014 HydrophobicContact CB-CG1 3.79Å; A2002-V2014 HydrophobicContact CB-CG2 4.39Å; A2003-V2014 HydrophobicContact CB-CG2 3.8Å; I2008-V2014 HydrophobicContact CD1-CG2 4.15Å; S2011-V2014 WeakPolarHBondContact O-CB 3.27Å; S2011-V2014 PolarHBondContact O-N 2.95Å; N2012-V2014 VanDerWaalsContact C-N 3.29Å; V2014-Q2018 HydrophobicContact CG1-CB 3.84Å; V2014-R2019 HydrophobicContact CG1-CB 4.28Å | ||
| 2015 | T | 84.5 | Confident | 82.2 | Confident | 74 Ų | 74 | 64.7 Ų | 64.7 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | trans | -64.4 | 153.4 | 173.6 | 64.4 | 0 | 0 | 0 | 0 | 111.3 | Q2013 V2017 Q2018 R2019 | Q2013-T2015 PolarHBondContact O-N 3.17Å; T2015-V2017 PolarHBondContact O-N 2.98Å; T2015-Q2018 PolarHBondContact O-N 3.2Å; T2015-Q2018 VanDerWaalsContact O-N 3.1Å; T2015-Q2018 VanDerWaalsContact OG1-CD 3.27Å; T2015-Q2018 VanDerWaalsContact OG1-CG 3.31Å; T2015-Q2018 WeakPolarHBondContact OG1-CG 3.39Å; T2015-Q2018 PolarHBondContact OG1-N 2.77Å; T2015-Q2018 PolarHBondContact OG1-OE1 2.81Å; T2015-R2019 PolarHBondContact O-N 2.81Å | ||
| 2016 | D | 75.3 | Confident | 82.1 | Confident | 104 Ų | 104 | 64.4 Ų | 64.4 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.4 | -21.1 | -178.8 | -58.2 | -47.4 | 0 | 0 | 0 | 113 | K1999 Q2020 | K1999-D2016 WeakPolarHBondContact CE-OD1 3.29Å; K1999-D2016 IonicContact NZ-OD1 3.02Å; K1999-D2016 PolarHBondContact NZ-OD1 2.91Å; D2016-Q2020 WeakPolarHBondContact O-CB 3.26Å; D2016-Q2020 PolarHBondContact O-N 2.97Å |
| 2017 | V | 77.4 | Confident | 82 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 69% | 0.685 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.9 | -49.5 | 169.2 | -178.8 | 0 | 0 | 0 | 0 | 111 | T2015 R2019 Q2020 Q2021 | T2015-V2017 PolarHBondContact O-N 2.98Å; V2017-R2019 VanDerWaalsContact C-N 3.32Å; V2017-R2019 PolarHBondContact O-N 3.15Å; V2017-Q2020 PolarHBondContact O-N 2.81Å; V2017-Q2021 WeakPolarHBondContact O-CB 3.14Å; V2017-Q2021 PolarHBondContact O-N 2.97Å |
| 2018 | Q | 83.6 | Confident | 81.7 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 24% | 0.243 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62 | -39.9 | 175.9 | -72.6 | 161.4 | -46.3 | 0 | 0 | 111.6 | L2006 V2014 T2015 Q2021 A2022 | L2006-Q2018 HydrophobicContact CD1-CB 4.17Å; L2006-Q2018 HydrophobicContact CD1-CG 3.98Å; V2014-Q2018 HydrophobicContact CG1-CB 3.84Å; T2015-Q2018 PolarHBondContact O-N 3.2Å; T2015-Q2018 VanDerWaalsContact O-N 3.1Å; T2015-Q2018 VanDerWaalsContact OG1-CD 3.27Å; T2015-Q2018 VanDerWaalsContact OG1-CG 3.31Å; T2015-Q2018 WeakPolarHBondContact OG1-CG 3.39Å; T2015-Q2018 PolarHBondContact OG1-N 2.77Å; T2015-Q2018 PolarHBondContact OG1-OE1 2.81Å; Q2018-Q2021 PolarHBondContact O-N 2.79Å; Q2018-A2022 WeakPolarHBondContact O-CB 3.44Å; Q2018-A2022 PolarHBondContact O-N 2.77Å |
| 2019 | R | 86.8 | Confident | 81.5 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.5 | -49.9 | 173 | -179.8 | -158.9 | 176.9 | -97.1 | 2 | 111.5 | D1996 F1998 K1999 V2014 T2015 V2017 A2022 K2023 | D1996-R2019 IonicContact OD1-NE 3.03Å; D1996-R2019 PolarHBondContact OD1-NE 2.82Å; D1996-R2019 IonicContact OD2-CZ 3.91Å; D1996-R2019 IonicContact OD2-NE 2.7Å; D1996-R2019 PolarHBondContact OD2-NE 3.26Å; D1996-R2019 IonicContact OD2-NH2 3.19Å; D1996-R2019 PolarHBondContact OD2-NH2 3.44Å; F1998-R2019 HydrophobicContact CB-CG 3.94Å; K1999-R2019 HydrophobicContact CG-CB 4.06Å; K1999-R2019 HydrophobicContact CG-CG 3.82Å; V2014-R2019 HydrophobicContact CG1-CB 4.28Å; T2015-R2019 PolarHBondContact O-N 2.81Å; V2017-R2019 VanDerWaalsContact C-N 3.32Å; V2017-R2019 PolarHBondContact O-N 3.15Å; R2019-A2022 PolarHBondContact O-N 2.8Å; R2019-K2023 PolarHBondContact O-N 3.14Å |
| 2020 | Q | 78.5 | Confident | 81.6 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69 | -40.1 | -178.7 | -167.7 | 73.2 | -13 | 0 | 0 | 111.6 | V1197 V1198 D2016 V2017 A2022 K2023 Q2024 | V1197-Q2020 PolarHBondContact O-NE2 3.25Å; V1198-Q2020 HydrophobicContact CG2-CG 3.87Å; D2016-Q2020 WeakPolarHBondContact O-CB 3.26Å; D2016-Q2020 PolarHBondContact O-N 2.97Å; V2017-Q2020 PolarHBondContact O-N 2.81Å; Q2020-A2022 VanDerWaalsContact C-N 3.31Å; Q2020-A2022 PolarHBondContact O-N 3.34Å; Q2020-K2023 WeakPolarHBondContact O-CB 3.28Å; Q2020-K2023 PolarHBondContact O-N 3.41Å; Q2020-Q2024 WeakPolarHBondContact O-CB 3.17Å; Q2020-Q2024 WeakPolarHBondContact O-CG 3.44Å; Q2020-Q2024 PolarHBondContact O-N 3.01Å |
| 2021 | Q | 82.3 | Confident | 81.5 | Confident | 52 Ų | 52 | 49.6 Ų | 49.6 | 24% | 0.243 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.2 | -43.2 | 173.2 | -178.3 | 178.3 | 12.5 | 0 | 0 | 111.4 | V2017 Q2018 Q2024 L2025 L2042 | V2017-Q2021 WeakPolarHBondContact O-CB 3.14Å; V2017-Q2021 PolarHBondContact O-N 2.97Å; Q2018-Q2021 PolarHBondContact O-N 2.79Å; Q2021-Q2024 PolarHBondContact O-N 3.17Å; Q2021-L2025 VanDerWaalsContact O-CB 3.23Å; Q2021-L2025 WeakPolarHBondContact O-CB 3.19Å; Q2021-L2025 PolarHBondContact O-N 3.22Å; Q2021-L2042 HydrophobicContact CB-CD2 4.47Å; Q2021-L2042 HydrophobicContact CG-CD2 4.03Å |
| 2022 | A | 85.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.6 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L2001 A2002 W2005 Q2018 R2019 Q2020 C2026 | L2001-A2022 HydrophobicContact CD2-CB 3.88Å; A2002-A2022 HydrophobicContact CB-CB 3.67Å; W2005-A2022 HydrophobicContact CE3-CB 4.28Å; W2005-A2022 HydrophobicContact CZ3-CB 4.28Å; Q2018-A2022 WeakPolarHBondContact O-CB 3.44Å; Q2018-A2022 PolarHBondContact O-N 2.77Å; R2019-A2022 PolarHBondContact O-N 2.8Å; Q2020-A2022 VanDerWaalsContact C-N 3.31Å; Q2020-A2022 PolarHBondContact O-N 3.34Å; A2022-C2026 WeakPolarHBondContact O-CB 3.45Å; A2022-C2026 PolarHBondContact O-N 3.11Å |
| 2023 | K | 86.8 | Confident | 81.2 | Confident | 71 Ų | 71 | 44 Ų | 44 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.9 | -53.2 | 170.9 | -178.2 | -174.1 | 174.3 | -167.2 | 0 | 110.8 | F1998 R2019 Q2020 L2025 C2026 Y2027 | F1998-K2023 HydrophobicContact CD1-CB 3.83Å; F1998-K2023 HydrophobicContact CD1-CG 4.21Å; F1998-K2023 HydrophobicContact CD2-CB 4.37Å; F1998-K2023 HydrophobicContact CD2-CG 4.4Å; F1998-K2023 HydrophobicContact CE1-CB 4.08Å; F1998-K2023 HydrophobicContact CE1-CG 3.97Å; F1998-K2023 HydrophobicContact CE2-CD 4.37Å; F1998-K2023 HydrophobicContact CE2-CG 4.16Å; F1998-K2023 HydrophobicContact CG-CB 3.99Å; F1998-K2023 HydrophobicContact CG-CG 4.43Å; F1998-K2023 HydrophobicContact CZ-CB 4.47Å; F1998-K2023 HydrophobicContact CZ-CG 3.95Å; R2019-K2023 PolarHBondContact O-N 3.14Å; Q2020-K2023 WeakPolarHBondContact O-CB 3.28Å; Q2020-K2023 PolarHBondContact O-N 3.41Å; K2023-L2025 PolarHBondContact O-N 3.49Å; K2023-C2026 WeakPolarHBondContact O-CB 3.43Å; K2023-C2026 PolarHBondContact O-N 3.34Å; K2023-Y2027 HydrophobicContact CG-CD2 3.8Å; K2023-Y2027 HydrophobicContact CG-CE2 3.91Å; K2023-Y2027 WeakPolarHBondContact O-CD2 3.45Å; K2023-Y2027 PolarHBondContact O-N 3.47Å |
| 2024 | Q | 82 | Confident | 80.6 | Confident | 56 Ų | 56 | 40.8 Ų | 40.8 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -45.1 | -178.7 | -72.7 | 172.6 | -54.9 | 0 | 0 | 111.6 | Q2020 Q2021 C2026 Y2027 A2028 L2042 | Q2020-Q2024 WeakPolarHBondContact O-CB 3.17Å; Q2020-Q2024 WeakPolarHBondContact O-CG 3.44Å; Q2020-Q2024 PolarHBondContact O-N 3.01Å; Q2021-Q2024 PolarHBondContact O-N 3.17Å; Q2024-C2026 PolarHBondContact O-N 2.81Å; Q2024-Y2027 PolarHBondContact O-N 2.76Å; Q2024-A2028 WeakPolarHBondContact O-CB 3.37Å; Q2024-A2028 PolarHBondContact O-N 3.06Å; Q2024-L2042 HydrophobicContact CB-CD2 4.09Å |
| 2025 | L | 85.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.9 | -178.3 | 61 | 0 | 0 | 0 | 112.4 | W2005 Q2021 K2023 I2029 L2038 L2052 I2053 F2056 | W2005-L2025 HydrophobicContact CD2-CD2 4.48Å; W2005-L2025 HydrophobicContact CE3-CD2 4.47Å; W2005-L2025 HydrophobicContact CH2-CD2 3.39Å; W2005-L2025 HydrophobicContact CZ2-CD2 3.37Å; W2005-L2025 HydrophobicContact CZ3-CD2 3.97Å; Q2021-L2025 VanDerWaalsContact O-CB 3.23Å; Q2021-L2025 WeakPolarHBondContact O-CB 3.19Å; Q2021-L2025 PolarHBondContact O-N 3.22Å; K2023-L2025 PolarHBondContact O-N 3.49Å; L2025-I2029 HydrophobicContact CD1-CD1 4.13Å; L2025-I2029 HydrophobicContact CG-CD1 4.23Å; L2025-I2029 WeakPolarHBondContact O-CG1 3.24Å; L2025-I2029 PolarHBondContact O-N 2.94Å; L2025-L2038 HydrophobicContact CD1-CD2 3.71Å; L2025-L2052 HydrophobicContact CD1-CB 4.14Å; L2025-L2052 HydrophobicContact CD2-CB 4.18Å; L2025-I2053 HydrophobicContact CD1-CG1 3.88Å; L2025-F2056 HydrophobicContact CD2-CB 3.99Å; L2025-F2056 HydrophobicContact CD2-CD2 3.97Å; L2025-F2056 HydrophobicContact CD2-CG 4.25Å; L2025-F2056 HydrophobicContact CG-CB 4.42Å; L2025-F2056 HydrophobicContact CG-CD2 4.37Å; L2025-F2056 HydrophobicContact CG-CG 4.45Å |
| 2026 | C | 85.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -49.3 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | F1998 A2022 K2023 Q2024 I2029 L2030 | F1998-C2026 HydrophobicContact CE1-CB 4.48Å; A2022-C2026 WeakPolarHBondContact O-CB 3.45Å; A2022-C2026 PolarHBondContact O-N 3.11Å; K2023-C2026 WeakPolarHBondContact O-CB 3.43Å; K2023-C2026 PolarHBondContact O-N 3.34Å; Q2024-C2026 PolarHBondContact O-N 2.81Å; C2026-I2029 PolarHBondContact O-N 2.83Å; C2026-L2030 WeakPolarHBondContact O-CG 3.34Å; C2026-L2030 PolarHBondContact O-N 3.04Å |
| 2027 | Y | 83.8 | Confident | 79.7 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 19% | 0.192 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70 | -32.6 | 178.1 | -78.1 | -76.4 | 0 | 0 | 0 | 112.8 | F1998 K2023 Q2024 I2029 L2030 Y2031 | F1998-Y2027 HydrophobicContact CE1-CE2 4.19Å; F1998-Y2027 AromaticContact CZ-CE2 3.76Å; F1998-Y2027 HydrophobicContact CZ-CE2 3.76Å; K2023-Y2027 HydrophobicContact CG-CD2 3.8Å; K2023-Y2027 HydrophobicContact CG-CE2 3.91Å; K2023-Y2027 WeakPolarHBondContact O-CD2 3.45Å; K2023-Y2027 PolarHBondContact O-N 3.47Å; Q2024-Y2027 PolarHBondContact O-N 2.76Å; Y2027-I2029 VanDerWaalsContact C-N 3.31Å; Y2027-I2029 PolarHBondContact O-N 2.88Å; Y2027-L2030 HydrophobicContact CD1-CD1 3.58Å; Y2027-L2030 HydrophobicContact CE1-CD1 3.82Å; Y2027-L2030 HydrophobicContact CG-CD1 4.19Å; Y2027-L2030 PolarHBondContact O-N 2.99Å; Y2027-Y2031 HydrophobicContact CD1-CE1 4.48Å; Y2027-Y2031 AromaticContact CD1-CE2 3.86Å; Y2027-Y2031 HydrophobicContact CD1-CE2 3.86Å; Y2027-Y2031 AromaticContact CD1-CZ 3.7Å; Y2027-Y2031 WeakPolarHBondContact CD1-OH 2.8Å; Y2027-Y2031 WeakPolarHBondContact O-CD2 3.46Å; Y2027-Y2031 PolarHBondContact O-N 3.05Å |
| 2028 | A | 80.7 | Confident | 79.6 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60 | -40 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q2024 G2032 M2033 L2038 | Q2024-A2028 WeakPolarHBondContact O-CB 3.37Å; Q2024-A2028 PolarHBondContact O-N 3.06Å; A2028-G2032 PolarHBondContact O-N 2.7Å; A2028-M2033 HydrophobicContact CB-CB 3.8Å; A2028-M2033 HydrophobicContact CB-CE 4.35Å; A2028-M2033 HydrophobicContact CB-CG 4.33Å; A2028-M2033 HydrophobicContact CB-SD 3.8Å; A2028-M2033 WeakPolarHBondContact O-CB 3.39Å; A2028-M2033 PolarHBondContact O-N 2.84Å; A2028-L2038 HydrophobicContact CB-CD1 3.73Å; A2028-L2038 HydrophobicContact CB-CD2 4.27Å; A2028-L2038 HydrophobicContact CB-CG 4.41Å |
| 2029 | I | 81.8 | Confident | 79.2 | Confident | 13 Ų | 13 | 32.1 Ų | 32.1 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.5 | -42.9 | 175.9 | -69.4 | 168.7 | 0 | 0 | 0 | 111.3 | L2025 C2026 Y2027 Y2031 G2032 I2053 F2056 L2057 V2063 I2067 | L2025-I2029 HydrophobicContact CD1-CD1 4.13Å; L2025-I2029 HydrophobicContact CG-CD1 4.23Å; L2025-I2029 WeakPolarHBondContact O-CG1 3.24Å; L2025-I2029 PolarHBondContact O-N 2.94Å; C2026-I2029 PolarHBondContact O-N 2.83Å; Y2027-I2029 VanDerWaalsContact C-N 3.31Å; Y2027-I2029 PolarHBondContact O-N 2.88Å; I2029-Y2031 VanDerWaalsContact C-N 3.32Å; I2029-Y2031 PolarHBondContact O-N 3.14Å; I2029-G2032 PolarHBondContact O-N 3.03Å; I2029-I2053 HydrophobicContact CD1-CG2 4.41Å; I2029-I2053 HydrophobicContact CG1-CG1 4.46Å; I2029-I2053 HydrophobicContact CG1-CG2 4.36Å; I2029-F2056 HydrophobicContact CD1-CB 3.91Å; I2029-F2056 HydrophobicContact CD1-CD1 3.36Å; I2029-F2056 HydrophobicContact CD1-CE1 4.07Å; I2029-F2056 HydrophobicContact CD1-CG 3.79Å; I2029-L2057 HydrophobicContact CD1-CG 4.47Å; I2029-L2057 HydrophobicContact CG2-CD2 4.13Å; I2029-V2063 HydrophobicContact CG2-CG1 4.32Å; I2029-I2067 HydrophobicContact CG2-CD1 4Å |
| 2030 | L | 78.8 | Confident | 78.2 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.3 | -46.4 | 175.5 | -81.5 | 165.8 | 0 | 0 | 0 | 112.8 | E1958 L1962 C2026 Y2027 I2135 | E1958-L2030 HydrophobicContact CB-CD1 4.42Å; L1962-L2030 HydrophobicContact CB-CD2 3.89Å; L1962-L2030 HydrophobicContact CD1-CD2 4.24Å; L1962-L2030 HydrophobicContact CD2-CD2 3.87Å; L1962-L2030 HydrophobicContact CD2-CG 4.23Å; L1962-L2030 HydrophobicContact CG-CD2 4.22Å; C2026-L2030 WeakPolarHBondContact O-CG 3.34Å; C2026-L2030 PolarHBondContact O-N 3.04Å; Y2027-L2030 HydrophobicContact CD1-CD1 3.58Å; Y2027-L2030 HydrophobicContact CE1-CD1 3.82Å; Y2027-L2030 HydrophobicContact CG-CD1 4.19Å; Y2027-L2030 PolarHBondContact O-N 2.99Å; L2030-I2135 HydrophobicContact CD2-CD1 3.48Å; L2030-I2135 VanDerWaalsContact CD2-CD1 3.48Å; L2030-I2135 HydrophobicContact CD2-CG2 4.12Å |
| 2031 | Y | 75.2 | Confident | 77.7 | Confident | 78 Ų | 78 | 34.6 Ų | 34.6 | 31% | 0.306 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 4.9 | -174.5 | -52.5 | -28.9 | 0 | 0 | 0 | 113.7 | E1958 Y2027 I2029 M2033 N2132 Q2136 | E1958-Y2031 VanDerWaalsContact OE2-CE1 3.26Å; E1958-Y2031 WeakPolarHBondContact OE2-CE1 3.36Å; E1958-Y2031 PolarHBondContact OE2-OH 3.09Å; Y2027-Y2031 HydrophobicContact CD1-CE1 4.48Å; Y2027-Y2031 AromaticContact CD1-CE2 3.86Å; Y2027-Y2031 HydrophobicContact CD1-CE2 3.86Å; Y2027-Y2031 AromaticContact CD1-CZ 3.7Å; Y2027-Y2031 WeakPolarHBondContact CD1-OH 2.8Å; Y2027-Y2031 WeakPolarHBondContact O-CD2 3.46Å; Y2027-Y2031 PolarHBondContact O-N 3.05Å; I2029-Y2031 VanDerWaalsContact C-N 3.32Å; I2029-Y2031 PolarHBondContact O-N 3.14Å; Y2031-M2033 VanDerWaalsContact C-N 3.33Å; Y2031-M2033 PolarHBondContact O-N 3.27Å; Y2031-N2132 VanDerWaalsContact CD1-OD1 3.27Å; Y2031-N2132 WeakPolarHBondContact CD1-OD1 3.36Å; Y2031-Q2136 HydrophobicContact CE1-CG 4.23Å |
| 2032 | G | 73.2 | Confident | 77.2 | Confident | 27 Ų | 27 | 33.4 Ų | 33.4 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 32.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A2028 I2029 G2034 R2128 | A2028-G2032 PolarHBondContact O-N 2.7Å; I2029-G2032 PolarHBondContact O-N 3.03Å; G2032-G2034 PolarHBondContact O-N 3.42Å; G2032-R2128 WeakPolarHBondContact O-CD 3.16Å |
| 2033 | M | 75 | Confident | 76.5 | Confident | 35 Ų | 35 | 40.7 Ų | 40.7 | 17% | 0.172 | 23% | 0.226 | C | C | . | . | trans | -61.2 | 124.8 | 177.1 | -174.7 | -175 | -67.7 | 0 | 0 | 110.5 | A2028 Y2031 T2037 L2038 | A2028-M2033 HydrophobicContact CB-CB 3.8Å; A2028-M2033 HydrophobicContact CB-CE 4.35Å; A2028-M2033 HydrophobicContact CB-CG 4.33Å; A2028-M2033 HydrophobicContact CB-SD 3.8Å; A2028-M2033 WeakPolarHBondContact O-CB 3.39Å; A2028-M2033 PolarHBondContact O-N 2.84Å; Y2031-M2033 VanDerWaalsContact C-N 3.33Å; Y2031-M2033 PolarHBondContact O-N 3.27Å; M2033-T2037 HydrophobicContact CE-CG2 4.4Å; M2033-T2037 HydrophobicContact CG-CG2 3.78Å; M2033-T2037 HydrophobicContact SD-CG2 3.87Å; M2033-L2038 HydrophobicContact CG-CB 4.43Å; M2033-L2038 HydrophobicContact SD-CB 3.94Å; M2033-L2038 HydrophobicContact SD-CD1 4.38Å | ||
| 2034 | G | 70.9 | Confident | 76.1 | Confident | 37 Ų | 37 | 40 Ų | 40 | 38% | 0.381 | 23% | 0.227 | S | C | . | . | trans | -65.4 | 147.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G2032 Q2036 T2037 L2038 | G2032-G2034 PolarHBondContact O-N 3.42Å; G2034-Q2036 PolarHBondContact O-N 3.42Å; G2034-T2037 PolarHBondContact O-N 2.85Å; G2034-L2038 PolarHBondContact O-N 2.8Å; G2034-L2038 VanDerWaalsContact O-N 3.09Å | ||
| 2035 | S | 76.8 | Confident | 75.9 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56 | -20.7 | -177.4 | 47 | 0 | 0 | 0 | 0 | 114.5 | A2039 A2049 Q2050 | S2035-A2039 WeakPolarHBondContact O-CB 3.38Å; S2035-A2039 PolarHBondContact O-N 2.9Å; S2035-A2049 WeakPolarHBondContact O-CB 3.41Å; S2035-Q2050 PolarHBondContact OG-OE1 3.1Å |
| 2036 | Q | 72.8 | Confident | 75.6 | Confident | 66 Ų | 66 | 44.9 Ų | 44.9 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -76.6 | -39 | 172.7 | -171.9 | 175.1 | 6.3 | 0 | 0 | 114 | N1784 G2034 S2040 Q2046 | N1784-Q2036 VanDerWaalsContact ND2-CD 3.26Å; N1784-Q2036 PolarHBondContact ND2-NE2 2.98Å; N1784-Q2036 PolarHBondContact ND2-OE1 2.95Å; G2034-Q2036 PolarHBondContact O-N 3.42Å; Q2036-S2040 PolarHBondContact O-N 3.36Å; Q2036-S2040 VanDerWaalsContact O-N 3.15Å; Q2036-S2040 PolarHBondContact O-OG 2.86Å; Q2036-Q2046 HydrophobicContact CB-CG 4.3Å |
| 2037 | T | 71.2 | Confident | 75.3 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 174.6 | -52.9 | 0 | 0 | 0 | 0 | 109.3 | M2033 G2034 A2039 S2040 Q2041 | M2033-T2037 HydrophobicContact CE-CG2 4.4Å; M2033-T2037 HydrophobicContact CG-CG2 3.78Å; M2033-T2037 HydrophobicContact SD-CG2 3.87Å; G2034-T2037 PolarHBondContact O-N 2.85Å; T2037-A2039 VanDerWaalsContact C-N 3.34Å; T2037-A2039 PolarHBondContact O-N 2.87Å; T2037-S2040 WeakPolarHBondContact O-CA 3.45Å; T2037-S2040 WeakPolarHBondContact O-CB 3.47Å; T2037-S2040 PolarHBondContact O-N 3.02Å; T2037-Q2041 PolarHBondContact O-N 2.91Å |
| 2038 | L | 75.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 174.8 | 179.5 | 62.1 | 0 | 0 | 0 | 112.2 | L2025 A2028 M2033 G2034 S2040 Q2041 L2042 A2049 I2053 | L2025-L2038 HydrophobicContact CD1-CD2 3.71Å; A2028-L2038 HydrophobicContact CB-CD1 3.73Å; A2028-L2038 HydrophobicContact CB-CD2 4.27Å; A2028-L2038 HydrophobicContact CB-CG 4.41Å; M2033-L2038 HydrophobicContact CG-CB 4.43Å; M2033-L2038 HydrophobicContact SD-CB 3.94Å; M2033-L2038 HydrophobicContact SD-CD1 4.38Å; G2034-L2038 PolarHBondContact O-N 2.8Å; G2034-L2038 VanDerWaalsContact O-N 3.09Å; L2038-S2040 PolarHBondContact O-N 3.24Å; L2038-Q2041 PolarHBondContact O-N 3.34Å; L2038-L2042 HydrophobicContact CD1-CD1 3.64Å; L2038-L2042 HydrophobicContact CD1-CG 3.75Å; L2038-L2042 HydrophobicContact CD2-CD1 4.37Å; L2038-L2042 HydrophobicContact CG-CD1 3.84Å; L2038-L2042 HydrophobicContact CG-CG 4.27Å; L2038-L2042 WeakPolarHBondContact O-CB 3.37Å; L2038-L2042 PolarHBondContact O-N 3.48Å; L2038-A2049 HydrophobicContact CB-CB 4.41Å; L2038-A2049 HydrophobicContact CD2-CB 4.31Å; L2038-A2049 HydrophobicContact CG-CB 4.25Å; L2038-I2053 HydrophobicContact CD2-CD1 3.7Å; L2038-I2053 HydrophobicContact CD2-CG1 3.66Å |
| 2039 | A | 74.3 | Confident | 75.3 | Confident | 8 Ų | 8 | 53 Ų | 53 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -35.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2035 T2037 N2043 V2044 Q2046 A2049 | S2035-A2039 WeakPolarHBondContact O-CB 3.38Å; S2035-A2039 PolarHBondContact O-N 2.9Å; T2037-A2039 VanDerWaalsContact C-N 3.34Å; T2037-A2039 PolarHBondContact O-N 2.87Å; A2039-N2043 WeakPolarHBondContact O-CA 3.28Å; A2039-N2043 PolarHBondContact O-N 2.96Å; A2039-V2044 HydrophobicContact CB-CG2 4.39Å; A2039-V2044 WeakPolarHBondContact CB-O 3.4Å; A2039-V2044 PolarHBondContact O-N 3.24Å; A2039-Q2046 HydrophobicContact CB-CB 4.46Å; A2039-A2049 HydrophobicContact CB-CB 3.73Å |
| 2040 | S | 67.1 | Low | 75.5 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 57% | 0.566 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -72.4 | -41.6 | 177.4 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | Q2036 T2037 L2038 | Q2036-S2040 PolarHBondContact O-N 3.36Å; Q2036-S2040 VanDerWaalsContact O-N 3.15Å; Q2036-S2040 PolarHBondContact O-OG 2.86Å; T2037-S2040 WeakPolarHBondContact O-CA 3.45Å; T2037-S2040 WeakPolarHBondContact O-CB 3.47Å; T2037-S2040 PolarHBondContact O-N 3.02Å; L2038-S2040 PolarHBondContact O-N 3.24Å |
| 2041 | Q | 68.1 | Low | 75.9 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70 | -40.6 | 176.4 | -71.8 | -171.3 | -9.3 | 0 | 0 | 113.1 | D1194 T2037 L2038 N2043 | D1194-Q2041 VanDerWaalsContact CG-NE2 3.29Å; D1194-Q2041 PolarHBondContact OD1-NE2 2.91Å; D1194-Q2041 PolarHBondContact OD2-NE2 3.2Å; T2037-Q2041 PolarHBondContact O-N 2.91Å; L2038-Q2041 PolarHBondContact O-N 3.34Å; Q2041-N2043 VanDerWaalsContact C-N 3.31Å |
| 2042 | L | 72.3 | Confident | 76.4 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -7 | 177.6 | -70.1 | -177.8 | 0 | 0 | 0 | 113.7 | Q2021 Q2024 L2038 V2044 L2052 | Q2021-L2042 HydrophobicContact CB-CD2 4.47Å; Q2021-L2042 HydrophobicContact CG-CD2 4.03Å; Q2024-L2042 HydrophobicContact CB-CD2 4.09Å; L2038-L2042 HydrophobicContact CD1-CD1 3.64Å; L2038-L2042 HydrophobicContact CD1-CG 3.75Å; L2038-L2042 HydrophobicContact CD2-CD1 4.37Å; L2038-L2042 HydrophobicContact CG-CD1 3.84Å; L2038-L2042 HydrophobicContact CG-CG 4.27Å; L2038-L2042 WeakPolarHBondContact O-CB 3.37Å; L2038-L2042 PolarHBondContact O-N 3.48Å; L2042-V2044 VanDerWaalsContact C-N 3.35Å; L2042-V2044 HydrophobicContact CB-CG1 4.36Å; L2042-V2044 HydrophobicContact CB-CG2 3.91Å; L2042-V2044 PolarHBondContact O-N 3.09Å; L2042-L2052 HydrophobicContact CD1-CD1 3.71Å |
| 2043 | N | 69.5 | Low | 77 | Confident | 154 Ų | 154 | 59.1 Ų | 59.1 | 82% | 0.824 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 44.1 | -175.7 | -152.3 | 12.5 | 0 | 0 | 0 | 113.6 | A2039 Q2041 | A2039-N2043 WeakPolarHBondContact O-CA 3.28Å; A2039-N2043 PolarHBondContact O-N 2.96Å; Q2041-N2043 VanDerWaalsContact C-N 3.31Å |
| 2044 | V | 79.1 | Confident | 77.6 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 34% | 0.339 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -123.8 | 175.5 | 180 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | A2039 L2042 N2048 A2049 | A2039-V2044 HydrophobicContact CB-CG2 4.39Å; A2039-V2044 WeakPolarHBondContact CB-O 3.4Å; A2039-V2044 PolarHBondContact O-N 3.24Å; L2042-V2044 VanDerWaalsContact C-N 3.35Å; L2042-V2044 HydrophobicContact CB-CG1 4.36Å; L2042-V2044 HydrophobicContact CB-CG2 3.91Å; L2042-V2044 PolarHBondContact O-N 3.09Å; V2044-N2048 HydrophobicContact CB-CB 4.42Å; V2044-A2049 HydrophobicContact CG2-CB 4.06Å |
| 2045 | S | 76.3 | Confident | 78.5 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | trans | -73.1 | 150.6 | 172.1 | 75.7 | 0 | 0 | 0 | 0 | 112 | Q2047 N2048 A2049 | S2045-Q2047 PolarHBondContact O-N 3.39Å; S2045-N2048 PolarHBondContact O-N 3.4Å; S2045-N2048 WeakPolarHBondContact OG-CB 3.31Å; S2045-N2048 VanDerWaalsContact OG-CG 3.26Å; S2045-N2048 PolarHBondContact OG-N 3.08Å; S2045-A2049 PolarHBondContact O-N 2.86Å | ||
| 2046 | Q | 79.8 | Confident | 79 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.1 | -37.7 | 176.4 | -174.9 | 179.8 | 3.7 | 0 | 0 | 112.9 | Q2036 A2039 N2048 A2049 Q2050 | Q2036-Q2046 HydrophobicContact CB-CG 4.3Å; A2039-Q2046 HydrophobicContact CB-CB 4.46Å; Q2046-N2048 VanDerWaalsContact C-N 3.34Å; Q2046-A2049 PolarHBondContact O-N 2.67Å; Q2046-Q2050 WeakPolarHBondContact O-CB 3.25Å; Q2046-Q2050 PolarHBondContact O-N 2.73Å |
| 2047 | Q | 79.8 | Confident | 79.7 | Confident | 147 Ų | 147 | 58.5 Ų | 58.5 | 69% | 0.687 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.9 | -35.9 | 175.7 | -68.7 | -176.8 | -6.1 | 0 | 0 | 112.3 | S2045 K2051 | S2045-Q2047 PolarHBondContact O-N 3.39Å; Q2047-K2051 VanDerWaalsContact O-CG 3.29Å; Q2047-K2051 WeakPolarHBondContact O-CG 3.47Å; Q2047-K2051 PolarHBondContact O-N 2.94Å; Q2047-K2051 VanDerWaalsContact O-N 3.08Å |
| 2048 | N | 81.4 | Confident | 80.6 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.4 | -41.6 | 176 | -71.5 | -2.9 | 0 | 0 | 0 | 110.9 | V2044 S2045 Q2046 Q2050 K2051 L2052 | V2044-N2048 HydrophobicContact CB-CB 4.42Å; S2045-N2048 PolarHBondContact O-N 3.4Å; S2045-N2048 WeakPolarHBondContact OG-CB 3.31Å; S2045-N2048 VanDerWaalsContact OG-CG 3.26Å; S2045-N2048 PolarHBondContact OG-N 3.08Å; Q2046-N2048 VanDerWaalsContact C-N 3.34Å; N2048-Q2050 VanDerWaalsContact C-N 3.31Å; N2048-Q2050 PolarHBondContact O-N 3.45Å; N2048-K2051 WeakPolarHBondContact O-CB 3.42Å; N2048-K2051 PolarHBondContact O-N 3.25Å; N2048-L2052 WeakPolarHBondContact O-CG 3.2Å; N2048-L2052 PolarHBondContact O-N 2.81Å |
| 2049 | A | 83 | Confident | 81.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.6 | -40.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2035 L2038 A2039 V2044 S2045 Q2046 L2052 I2053 | S2035-A2049 WeakPolarHBondContact O-CB 3.41Å; L2038-A2049 HydrophobicContact CB-CB 4.41Å; L2038-A2049 HydrophobicContact CD2-CB 4.31Å; L2038-A2049 HydrophobicContact CG-CB 4.25Å; A2039-A2049 HydrophobicContact CB-CB 3.73Å; V2044-A2049 HydrophobicContact CG2-CB 4.06Å; S2045-A2049 PolarHBondContact O-N 2.86Å; Q2046-A2049 PolarHBondContact O-N 2.67Å; A2049-L2052 PolarHBondContact O-N 2.85Å; A2049-I2053 WeakPolarHBondContact O-CG1 3.44Å; A2049-I2053 PolarHBondContact O-N 2.88Å; A2049-I2053 VanDerWaalsContact O-N 3.1Å |
| 2050 | Q | 85.8 | Confident | 82.1 | Confident | 70 Ų | 70 | 62 Ų | 62 | 33% | 0.327 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 172.9 | -169.3 | 62.1 | 54.3 | 0 | 0 | 111.4 | S2035 Q2046 N2048 L2052 I2053 D2054 | S2035-Q2050 PolarHBondContact OG-OE1 3.1Å; Q2046-Q2050 WeakPolarHBondContact O-CB 3.25Å; Q2046-Q2050 PolarHBondContact O-N 2.73Å; N2048-Q2050 VanDerWaalsContact C-N 3.31Å; N2048-Q2050 PolarHBondContact O-N 3.45Å; Q2050-L2052 PolarHBondContact O-N 2.65Å; Q2050-I2053 WeakPolarHBondContact O-CB 3.31Å; Q2050-I2053 PolarHBondContact O-N 2.91Å; Q2050-I2053 VanDerWaalsContact O-N 3.09Å; Q2050-D2054 PolarHBondContact NE2-OD1 3.42Å; Q2050-D2054 PolarHBondContact O-N 2.73Å |
| 2051 | K | 86.6 | Confident | 83.2 | Confident | 125 Ų | 125 | 62 Ų | 62 | 54% | 0.543 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58 | -33.7 | 175.4 | -72.8 | 168.8 | -176.9 | 174.2 | 0 | 113.4 | Q2047 N2048 S2055 | Q2047-K2051 VanDerWaalsContact O-CG 3.29Å; Q2047-K2051 WeakPolarHBondContact O-CG 3.47Å; Q2047-K2051 PolarHBondContact O-N 2.94Å; Q2047-K2051 VanDerWaalsContact O-N 3.08Å; N2048-K2051 WeakPolarHBondContact O-CB 3.42Å; N2048-K2051 PolarHBondContact O-N 3.25Å; K2051-S2055 WeakPolarHBondContact O-CB 3.34Å; K2051-S2055 PolarHBondContact O-N 3.02Å |
| 2052 | L | 86.7 | Confident | 84.3 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.4 | -44 | 174.8 | -66.2 | 174.6 | 0 | 0 | 0 | 111.4 | W2005 L2025 L2042 N2048 A2049 Q2050 S2055 F2056 | W2005-L2052 HydrophobicContact CH2-CD2 3.94Å; W2005-L2052 HydrophobicContact CZ2-CB 4.47Å; W2005-L2052 HydrophobicContact CZ2-CD2 3.78Å; L2025-L2052 HydrophobicContact CD1-CB 4.14Å; L2025-L2052 HydrophobicContact CD2-CB 4.18Å; L2042-L2052 HydrophobicContact CD1-CD1 3.71Å; N2048-L2052 WeakPolarHBondContact O-CG 3.2Å; N2048-L2052 PolarHBondContact O-N 2.81Å; A2049-L2052 PolarHBondContact O-N 2.85Å; Q2050-L2052 PolarHBondContact O-N 2.65Å; L2052-S2055 PolarHBondContact O-N 3.22Å; L2052-F2056 WeakPolarHBondContact O-CB 3.32Å; L2052-F2056 PolarHBondContact O-N 3.2Å |
| 2053 | I | 86.1 | Confident | 85.1 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 9% | 0.092 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 173.7 | -67 | 164 | 0 | 0 | 0 | 110.6 | L2025 I2029 L2038 A2049 Q2050 S2055 F2056 L2057 | L2025-I2053 HydrophobicContact CD1-CG1 3.88Å; I2029-I2053 HydrophobicContact CD1-CG2 4.41Å; I2029-I2053 HydrophobicContact CG1-CG1 4.46Å; I2029-I2053 HydrophobicContact CG1-CG2 4.36Å; L2038-I2053 HydrophobicContact CD2-CD1 3.7Å; L2038-I2053 HydrophobicContact CD2-CG1 3.66Å; A2049-I2053 WeakPolarHBondContact O-CG1 3.44Å; A2049-I2053 PolarHBondContact O-N 2.88Å; A2049-I2053 VanDerWaalsContact O-N 3.1Å; Q2050-I2053 WeakPolarHBondContact O-CB 3.31Å; Q2050-I2053 PolarHBondContact O-N 2.91Å; Q2050-I2053 VanDerWaalsContact O-N 3.09Å; I2053-S2055 PolarHBondContact O-N 3.47Å; I2053-F2056 PolarHBondContact O-N 2.99Å; I2053-L2057 HydrophobicContact CG2-CD1 3.73Å; I2053-L2057 HydrophobicContact CG2-CG 4.34Å; I2053-L2057 WeakPolarHBondContact O-CB 3.48Å; I2053-L2057 WeakPolarHBondContact O-CG 3.46Å; I2053-L2057 PolarHBondContact O-N 2.87Å |
| 2054 | D | 87.3 | Confident | 86.1 | Confident | 68 Ų | 68 | 53.8 Ų | 53.8 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | -178.9 | -57.2 | -20.9 | 0 | 0 | 0 | 110.9 | Q2050 F2056 L2057 N2058 | Q2050-D2054 PolarHBondContact NE2-OD1 3.42Å; Q2050-D2054 PolarHBondContact O-N 2.73Å; D2054-F2056 PolarHBondContact O-N 3.47Å; D2054-L2057 PolarHBondContact O-N 3.1Å; D2054-N2058 VanDerWaalsContact O-CB 3.28Å; D2054-N2058 WeakPolarHBondContact O-CB 3.48Å; D2054-N2058 PolarHBondContact O-N 3.13Å; D2054-N2058 PolarHBondContact O-ND2 3.19Å; D2054-N2058 VanDerWaalsContact O-ND2 3.12Å |
| 2055 | S | 88.8 | Confident | 86.6 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 174.2 | 168.8 | 0 | 0 | 0 | 0 | 112.3 | W2005 K2051 L2052 I2053 N2058 T2059 | W2005-S2055 PolarHBondContact NE1-OG 3.03Å; K2051-S2055 WeakPolarHBondContact O-CB 3.34Å; K2051-S2055 PolarHBondContact O-N 3.02Å; L2052-S2055 PolarHBondContact O-N 3.22Å; I2053-S2055 PolarHBondContact O-N 3.47Å; S2055-N2058 PolarHBondContact O-N 3.35Å; S2055-T2059 PolarHBondContact O-N 3.24Å; S2055-T2059 PolarHBondContact O-OG1 3.4Å |
| 2056 | F | 88.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -46 | 179.4 | -169.1 | -87.3 | 0 | 0 | 0 | 111.9 | L2001 W2005 L2025 I2029 L2052 I2053 D2054 N2058 T2059 Y2060 | L2001-F2056 HydrophobicContact CD1-CE2 4.5Å; L2001-F2056 HydrophobicContact CD1-CZ 4.24Å; L2001-F2056 HydrophobicContact CD2-CE2 3.78Å; L2001-F2056 HydrophobicContact CD2-CZ 4.31Å; L2001-F2056 HydrophobicContact CG-CE2 4.23Å; L2001-F2056 HydrophobicContact CG-CZ 4.44Å; W2005-F2056 HydrophobicContact CD2-CD2 4.19Å; W2005-F2056 HydrophobicContact CG-CD2 4.1Å; L2025-F2056 HydrophobicContact CD2-CB 3.99Å; L2025-F2056 HydrophobicContact CD2-CD2 3.97Å; L2025-F2056 HydrophobicContact CD2-CG 4.25Å; L2025-F2056 HydrophobicContact CG-CB 4.42Å; L2025-F2056 HydrophobicContact CG-CD2 4.37Å; L2025-F2056 HydrophobicContact CG-CG 4.45Å; I2029-F2056 HydrophobicContact CD1-CB 3.91Å; I2029-F2056 HydrophobicContact CD1-CD1 3.36Å; I2029-F2056 HydrophobicContact CD1-CE1 4.07Å; I2029-F2056 HydrophobicContact CD1-CG 3.79Å; L2052-F2056 WeakPolarHBondContact O-CB 3.32Å; L2052-F2056 PolarHBondContact O-N 3.2Å; I2053-F2056 PolarHBondContact O-N 2.99Å; D2054-F2056 PolarHBondContact O-N 3.47Å; F2056-N2058 VanDerWaalsContact C-N 3.27Å; F2056-N2058 PolarHBondContact O-N 3.16Å; F2056-T2059 WeakPolarHBondContact O-CB 3.45Å; F2056-T2059 PolarHBondContact O-N 3.49Å; F2056-T2059 VanDerWaalsContact O-N 3.09Å; F2056-Y2060 AromaticContact CD1-CD2 3.96Å; F2056-Y2060 HydrophobicContact CD1-CD2 3.96Å; F2056-Y2060 HydrophobicContact CD2-CD2 4.21Å; F2056-Y2060 HydrophobicContact CD2-CE2 4.05Å; F2056-Y2060 AromaticContact CE1-CD2 3.66Å; F2056-Y2060 HydrophobicContact CE1-CD2 3.66Å; F2056-Y2060 HydrophobicContact CE1-CE2 4.18Å; F2056-Y2060 AromaticContact CE2-CD2 3.91Å; F2056-Y2060 HydrophobicContact CE2-CD2 3.91Å; F2056-Y2060 AromaticContact CE2-CE2 3.58Å; F2056-Y2060 HydrophobicContact CE2-CE2 3.58Å; F2056-Y2060 HydrophobicContact CG-CD2 4.24Å; F2056-Y2060 AromaticContact CZ-CD2 3.63Å; F2056-Y2060 HydrophobicContact CZ-CD2 3.63Å; F2056-Y2060 AromaticContact CZ-CE2 3.67Å; F2056-Y2060 HydrophobicContact CZ-CE2 3.67Å; F2056-Y2060 WeakPolarHBondContact O-CD2 3.35Å; F2056-Y2060 PolarHBondContact O-N 3.4Å |
| 2057 | L | 88 | Confident | 87.9 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 12% | 0.12 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.8 | -25 | 178.1 | -68.3 | 175.3 | 0 | 0 | 0 | 113.2 | I2029 I2053 D2054 Y2060 P2061 V2063 Q2064 I2067 | I2029-L2057 HydrophobicContact CD1-CG 4.47Å; I2029-L2057 HydrophobicContact CG2-CD2 4.13Å; I2053-L2057 HydrophobicContact CG2-CD1 3.73Å; I2053-L2057 HydrophobicContact CG2-CG 4.34Å; I2053-L2057 WeakPolarHBondContact O-CB 3.48Å; I2053-L2057 WeakPolarHBondContact O-CG 3.46Å; I2053-L2057 PolarHBondContact O-N 2.87Å; D2054-L2057 PolarHBondContact O-N 3.1Å; L2057-Y2060 CarbonylContact O-C 3.59Å; L2057-P2061 WeakPolarHBondContact O-CA 3.46Å; L2057-V2063 HydrophobicContact CD2-CB 4.48Å; L2057-V2063 HydrophobicContact CD2-CG1 3.91Å; L2057-Q2064 HydrophobicContact CB-CB 4.24Å; L2057-Q2064 HydrophobicContact CB-CG 4.29Å; L2057-Q2064 HydrophobicContact CD1-CG 4.42Å; L2057-Q2064 HydrophobicContact CD2-CB 4.21Å; L2057-I2067 HydrophobicContact CD2-CD1 4.13Å |
| 2058 | N | 88.9 | Confident | 88.3 | Confident | 117 Ų | 117 | 52 Ų | 52 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -78.6 | -26.5 | 171.1 | -70.4 | -22.5 | 0 | 0 | 0 | 112.7 | D2054 S2055 F2056 | D2054-N2058 VanDerWaalsContact O-CB 3.28Å; D2054-N2058 WeakPolarHBondContact O-CB 3.48Å; D2054-N2058 PolarHBondContact O-N 3.13Å; D2054-N2058 PolarHBondContact O-ND2 3.19Å; D2054-N2058 VanDerWaalsContact O-ND2 3.12Å; S2055-N2058 PolarHBondContact O-N 3.35Å; F2056-N2058 VanDerWaalsContact C-N 3.27Å; F2056-N2058 PolarHBondContact O-N 3.16Å |
| 2059 | T | 88.8 | Confident | 88.7 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74 | -39.6 | 173.2 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | S2055 F2056 P2061 | S2055-T2059 PolarHBondContact O-N 3.24Å; S2055-T2059 PolarHBondContact O-OG1 3.4Å; F2056-T2059 WeakPolarHBondContact O-CB 3.45Å; F2056-T2059 PolarHBondContact O-N 3.49Å; F2056-T2059 VanDerWaalsContact O-N 3.09Å; T2059-P2061 VanDerWaalsContact C-CD 3.44Å; T2059-P2061 VanDerWaalsContact O-CD 3.23Å; T2059-P2061 WeakPolarHBondContact O-CD 3.45Å |
| 2060 | Y | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -117.7 | 70.5 | -178.3 | -53.6 | -70.2 | 0 | 0 | 0 | 111.1 | D1968 E1970 L1971 L1974 L2001 H2004 W2005 F2056 L2057 G2062 V2063 | D1968-Y2060 VanDerWaalsContact OD2-CA 3.24Å; D1968-Y2060 WeakPolarHBondContact OD2-CA 3.11Å; E1970-Y2060 HydrophobicContact CB-CD1 4.35Å; E1970-Y2060 HydrophobicContact CB-CE1 4.34Å; L1971-Y2060 HydrophobicContact CB-CD1 3.93Å; L1971-Y2060 HydrophobicContact CB-CE1 4.29Å; L1971-Y2060 HydrophobicContact CD1-CE1 4.38Å; L1974-Y2060 HydrophobicContact CD1-CE1 3.91Å; L2001-Y2060 PolarHBondContact O-OH 2.77Å; H2004-Y2060 AromaticContact ND1-CE1 3.93Å; H2004-Y2060 AromaticContact ND1-CZ 3.95Å; W2005-Y2060 HydrophobicContact CB-CE2 4.5Å; F2056-Y2060 AromaticContact CD1-CD2 3.96Å; F2056-Y2060 HydrophobicContact CD1-CD2 3.96Å; F2056-Y2060 HydrophobicContact CD2-CD2 4.21Å; F2056-Y2060 HydrophobicContact CD2-CE2 4.05Å; F2056-Y2060 AromaticContact CE1-CD2 3.66Å; F2056-Y2060 HydrophobicContact CE1-CD2 3.66Å; F2056-Y2060 HydrophobicContact CE1-CE2 4.18Å; F2056-Y2060 AromaticContact CE2-CD2 3.91Å; F2056-Y2060 HydrophobicContact CE2-CD2 3.91Å; F2056-Y2060 AromaticContact CE2-CE2 3.58Å; F2056-Y2060 HydrophobicContact CE2-CE2 3.58Å; F2056-Y2060 HydrophobicContact CG-CD2 4.24Å; F2056-Y2060 AromaticContact CZ-CD2 3.63Å; F2056-Y2060 HydrophobicContact CZ-CD2 3.63Å; F2056-Y2060 AromaticContact CZ-CE2 3.67Å; F2056-Y2060 HydrophobicContact CZ-CE2 3.67Å; F2056-Y2060 WeakPolarHBondContact O-CD2 3.35Å; F2056-Y2060 PolarHBondContact O-N 3.4Å; L2057-Y2060 CarbonylContact O-C 3.59Å; Y2060-G2062 PolarHBondContact O-N 2.93Å; Y2060-V2063 WeakPolarHBondContact O-CB 3.39Å; Y2060-V2063 PolarHBondContact O-N 3.02Å |
| 2061 | P | 90.6 | Very high | 89.1 | Confident | 81 Ų | 81 | 50 Ų | 50 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.1 | -22.3 | -172.7 | 27.1 | -36.1 | 0 | 0 | 0 | 114 | D1968 L2057 T2059 V2063 Q2064 K2065 | D1968-P2061 WeakPolarHBondContact OD2-CD 3.39Å; L2057-P2061 WeakPolarHBondContact O-CA 3.46Å; T2059-P2061 VanDerWaalsContact C-CD 3.44Å; T2059-P2061 VanDerWaalsContact O-CD 3.23Å; T2059-P2061 WeakPolarHBondContact O-CD 3.45Å; P2061-V2063 VanDerWaalsContact C-N 3.31Å; P2061-Q2064 PolarHBondContact O-N 2.94Å; P2061-K2065 WeakPolarHBondContact O-CB 3.47Å; P2061-K2065 PolarHBondContact O-N 3.16Å |
| 2062 | G | 91 | Very high | 89.1 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -35.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1968 Y2060 K2065 F2066 | D1968-G2062 WeakPolarHBondContact OD2-CA 3.49Å; D1968-G2062 PolarHBondContact OD2-N 3.39Å; Y2060-G2062 PolarHBondContact O-N 2.93Å; G2062-K2065 WeakPolarHBondContact O-CB 3.23Å; G2062-K2065 PolarHBondContact O-N 3.22Å; G2062-F2066 PolarHBondContact O-N 3.37Å |
| 2063 | V | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 174.4 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | L1962 L1971 I2029 L2057 Y2060 P2061 K2065 F2066 I2067 | L1962-V2063 HydrophobicContact CD1-CG1 4.15Å; L1962-V2063 HydrophobicContact CD2-CG1 4.25Å; L1962-V2063 HydrophobicContact CD2-CG2 4.31Å; L1962-V2063 HydrophobicContact CG-CG1 4.49Å; L1962-V2063 HydrophobicContact CG-CG2 4.25Å; L1971-V2063 HydrophobicContact CD2-CG2 3.91Å; I2029-V2063 HydrophobicContact CG2-CG1 4.32Å; L2057-V2063 HydrophobicContact CD2-CB 4.48Å; L2057-V2063 HydrophobicContact CD2-CG1 3.91Å; Y2060-V2063 WeakPolarHBondContact O-CB 3.39Å; Y2060-V2063 PolarHBondContact O-N 3.02Å; P2061-V2063 VanDerWaalsContact C-N 3.31Å; V2063-K2065 VanDerWaalsContact C-N 3.3Å; V2063-K2065 PolarHBondContact O-N 3.29Å; V2063-F2066 PolarHBondContact O-N 2.62Å; V2063-I2067 HydrophobicContact CG1-CD1 3.95Å; V2063-I2067 WeakPolarHBondContact O-CG1 3.38Å; V2063-I2067 PolarHBondContact O-N 3.43Å |
| 2064 | Q | 89 | Confident | 89.2 | Confident | 58 Ų | 58 | 48.9 Ų | 48.9 | 27% | 0.271 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 176.3 | -159.7 | -162.1 | 91.9 | 0 | 0 | 112 | L2057 P2061 K2068 | L2057-Q2064 HydrophobicContact CB-CB 4.24Å; L2057-Q2064 HydrophobicContact CB-CG 4.29Å; L2057-Q2064 HydrophobicContact CD1-CG 4.42Å; L2057-Q2064 HydrophobicContact CD2-CB 4.21Å; P2061-Q2064 PolarHBondContact O-N 2.94Å; Q2064-K2068 WeakPolarHBondContact O-CG 3.43Å; Q2064-K2068 PolarHBondContact O-N 3.04Å |
| 2065 | K | 90.5 | Very high | 89.1 | Confident | 147 Ų | 147 | 46.4 Ų | 46.4 | 64% | 0.639 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.4 | -49.1 | 174.8 | -174.6 | -176.8 | 177.8 | -175.8 | 0 | 111.5 | P2061 G2062 V2063 K2068 T2069 | P2061-K2065 WeakPolarHBondContact O-CB 3.47Å; P2061-K2065 PolarHBondContact O-N 3.16Å; G2062-K2065 WeakPolarHBondContact O-CB 3.23Å; G2062-K2065 PolarHBondContact O-N 3.22Å; V2063-K2065 VanDerWaalsContact C-N 3.3Å; V2063-K2065 PolarHBondContact O-N 3.29Å; K2065-K2068 PolarHBondContact O-N 3.39Å; K2065-T2069 PolarHBondContact O-N 3.29Å; K2065-T2069 PolarHBondContact O-OG1 3.24Å; K2065-T2069 VanDerWaalsContact O-OG1 3.1Å |
| 2066 | F | 93.3 | Very high | 88.8 | Confident | 21 Ų | 21 | 53.9 Ų | 53.9 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 178.5 | 156.9 | -100.9 | 0 | 0 | 0 | 112.6 | L1962 F1965 G2062 V2063 K2068 T2069 A2070 V2131 I2134 I2135 | L1962-F2066 HydrophobicContact CD1-CD1 4.06Å; L1962-F2066 HydrophobicContact CD1-CE1 4.04Å; F1965-F2066 HydrophobicContact CB-CD2 3.86Å; F1965-F2066 HydrophobicContact CB-CE2 3.66Å; F1965-F2066 HydrophobicContact CB-CG 4.42Å; F1965-F2066 HydrophobicContact CB-CZ 4.05Å; F1965-F2066 HydrophobicContact CG-CE2 4.27Å; G2062-F2066 PolarHBondContact O-N 3.37Å; V2063-F2066 PolarHBondContact O-N 2.62Å; F2066-K2068 VanDerWaalsContact C-N 3.3Å; F2066-K2068 PolarHBondContact O-N 2.65Å; F2066-T2069 PolarHBondContact O-N 3.46Å; F2066-T2069 VanDerWaalsContact O-N 3.12Å; F2066-A2070 HydrophobicContact CE2-CB 4.17Å; F2066-A2070 HydrophobicContact CZ-CB 4.41Å; F2066-A2070 WeakPolarHBondContact O-CB 3.48Å; F2066-A2070 PolarHBondContact O-N 3.49Å; F2066-V2131 HydrophobicContact CE1-CG1 4.03Å; F2066-I2134 HydrophobicContact CE2-CG2 4.21Å; F2066-I2134 HydrophobicContact CZ-CB 4.49Å; F2066-I2134 HydrophobicContact CZ-CG2 4.16Å; F2066-I2135 HydrophobicContact CE1-CD1 4.06Å; F2066-I2135 HydrophobicContact CZ-CD1 4.39Å; F2066-I2135 HydrophobicContact CZ-CG1 4.39Å |
| 2067 | I | 89.6 | Confident | 88.5 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.7 | -48 | 176.4 | -71.7 | 167.6 | 0 | 0 | 0 | 110.6 | I2029 L2057 V2063 V2071 V2131 | I2029-I2067 HydrophobicContact CG2-CD1 4Å; L2057-I2067 HydrophobicContact CD2-CD1 4.13Å; V2063-I2067 HydrophobicContact CG1-CD1 3.95Å; V2063-I2067 WeakPolarHBondContact O-CG1 3.38Å; V2063-I2067 PolarHBondContact O-N 3.43Å; I2067-V2071 WeakPolarHBondContact O-CG2 3.42Å; I2067-V2071 PolarHBondContact O-N 3.03Å; I2067-V2131 HydrophobicContact CG1-CG1 4.17Å; I2067-V2131 HydrophobicContact CG1-CG2 4.5Å; I2067-V2131 HydrophobicContact CG2-CG2 4.19Å |
| 2068 | K | 88.6 | Confident | 88.3 | Confident | 115 Ų | 115 | 56.9 Ų | 56.9 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 176.6 | -72 | 169.9 | 174 | 174.5 | 0 | 112.2 | Q2064 K2065 F2066 L2072 | Q2064-K2068 WeakPolarHBondContact O-CG 3.43Å; Q2064-K2068 PolarHBondContact O-N 3.04Å; K2065-K2068 PolarHBondContact O-N 3.39Å; F2066-K2068 VanDerWaalsContact C-N 3.3Å; F2066-K2068 PolarHBondContact O-N 2.65Å; K2068-L2072 WeakPolarHBondContact O-CB 3.3Å; K2068-L2072 VanDerWaalsContact O-CG 3.26Å; K2068-L2072 WeakPolarHBondContact O-CG 3.41Å; K2068-L2072 PolarHBondContact O-N 3.07Å |
| 2069 | T | 89.7 | Confident | 88.2 | Confident | 72 Ų | 72 | 53.3 Ų | 53.3 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 179.5 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | K2065 F2066 V2071 L2072 T2073 | K2065-T2069 PolarHBondContact O-N 3.29Å; K2065-T2069 PolarHBondContact O-OG1 3.24Å; K2065-T2069 VanDerWaalsContact O-OG1 3.1Å; F2066-T2069 PolarHBondContact O-N 3.46Å; F2066-T2069 VanDerWaalsContact O-N 3.12Å; T2069-V2071 PolarHBondContact O-N 3.36Å; T2069-L2072 PolarHBondContact O-N 2.83Å; T2069-T2073 PolarHBondContact O-N 3.02Å; T2069-T2073 PolarHBondContact O-OG1 3.39Å; T2069-T2073 VanDerWaalsContact O-OG1 3.12Å |
| 2070 | A | 89.6 | Confident | 88.2 | Confident | 7 Ų | 7 | 52 Ų | 52 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F2066 T2073 A2074 V2131 I2134 | F2066-A2070 HydrophobicContact CE2-CB 4.17Å; F2066-A2070 HydrophobicContact CZ-CB 4.41Å; F2066-A2070 WeakPolarHBondContact O-CB 3.48Å; F2066-A2070 PolarHBondContact O-N 3.49Å; A2070-T2073 PolarHBondContact O-N 2.89Å; A2070-A2074 WeakPolarHBondContact O-CB 3.26Å; A2070-A2074 PolarHBondContact O-N 3.35Å; A2070-V2131 HydrophobicContact CB-CG2 4.32Å; A2070-I2134 HydrophobicContact CB-CD1 3.81Å |
| 2071 | V | 87.8 | Confident | 88.1 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 175.7 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | I2067 T2069 T2073 A2074 H2075 E2127 V2131 | I2067-V2071 WeakPolarHBondContact O-CG2 3.42Å; I2067-V2071 PolarHBondContact O-N 3.03Å; T2069-V2071 PolarHBondContact O-N 3.36Å; V2071-T2073 PolarHBondContact O-N 2.96Å; V2071-A2074 PolarHBondContact O-N 3.04Å; V2071-H2075 PolarHBondContact O-CD2 2.96Å; V2071-H2075 VanDerWaalsContact O-CD2 3.27Å; V2071-H2075 PolarHBondContact O-N 2.85Å; V2071-E2127 HydrophobicContact CG1-CB 4.33Å; V2071-E2127 HydrophobicContact CG1-CG 3.89Å; V2071-E2127 HydrophobicContact CG2-CB 4.05Å; V2071-E2127 HydrophobicContact CG2-CG 4.5Å; V2071-V2131 HydrophobicContact CG2-CG2 4.06Å |
| 2072 | L | 86.7 | Confident | 88 | Confident | 97 Ų | 97 | 53.7 Ų | 53.7 | 51% | 0.508 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 178.7 | -74.1 | 169.2 | 0 | 0 | 0 | 113.1 | K2068 T2069 R2076 | K2068-L2072 WeakPolarHBondContact O-CB 3.3Å; K2068-L2072 VanDerWaalsContact O-CG 3.26Å; K2068-L2072 WeakPolarHBondContact O-CG 3.41Å; K2068-L2072 PolarHBondContact O-N 3.07Å; T2069-L2072 PolarHBondContact O-N 2.83Å; L2072-R2076 WeakPolarHBondContact O-CB 3.23Å; L2072-R2076 PolarHBondContact O-N 3.24Å |
| 2073 | T | 85.8 | Confident | 87.9 | Confident | 56 Ų | 56 | 55 Ų | 55 | 34% | 0.344 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 173.8 | -61.8 | 0 | 0 | 0 | 0 | 111.3 | T2069 A2070 V2071 R2076 E2077 | T2069-T2073 PolarHBondContact O-N 3.02Å; T2069-T2073 PolarHBondContact O-OG1 3.39Å; T2069-T2073 VanDerWaalsContact O-OG1 3.12Å; A2070-T2073 PolarHBondContact O-N 2.89Å; V2071-T2073 PolarHBondContact O-N 2.96Å; T2073-R2076 PolarHBondContact O-N 3.26Å; T2073-R2076 VanDerWaalsContact O-N 3.11Å; T2073-E2077 HydrophobicContact CG2-CG 4.34Å; T2073-E2077 PolarHBondContact O-N 3.32Å |
| 2074 | A | 87.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | A2070 V2071 G2078 I2080 L2090 L2093 A2130 | A2070-A2074 WeakPolarHBondContact O-CB 3.26Å; A2070-A2074 PolarHBondContact O-N 3.35Å; V2071-A2074 PolarHBondContact O-N 3.04Å; A2074-G2078 VanDerWaalsContact O-CA 3.29Å; A2074-G2078 WeakPolarHBondContact O-CA 3.41Å; A2074-G2078 PolarHBondContact O-N 3.48Å; A2074-I2080 HydrophobicContact CB-CG2 3.72Å; A2074-L2090 HydrophobicContact CB-CD1 4.4Å; A2074-L2093 HydrophobicContact CB-CD1 3.61Å; A2074-A2130 HydrophobicContact CB-CB 3.64Å |
| 2075 | H | 85.2 | Confident | 87 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.6 | -32.8 | 169.1 | -82.5 | -78.3 | 0 | 0 | 0 | 113.3 | V2071 F2099 E2127 | V2071-H2075 PolarHBondContact O-CD2 2.96Å; V2071-H2075 VanDerWaalsContact O-CD2 3.27Å; V2071-H2075 PolarHBondContact O-N 2.85Å; H2075-F2099 HydrophobicContact CB-CE2 4.06Å; H2075-F2099 HydrophobicContact CB-CZ 4.06Å; H2075-E2127 IonicContact CD2-OE1 3.17Å; H2075-E2127 IonicContact CE1-OE1 2.76Å; H2075-E2127 IonicContact NE2-OE1 3.27Å; H2075-E2127 PolarHBondContact NE2-OE1 3.42Å |
| 2076 | R | 82.2 | Confident | 86.7 | Confident | 205 Ų | 205 | 49.6 Ų | 49.6 | 77% | 0.774 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -79.3 | -40.9 | -179.2 | -179.1 | -178.8 | 174.5 | -162.1 | -3.4 | 113.6 | L2072 T2073 | L2072-R2076 WeakPolarHBondContact O-CB 3.23Å; L2072-R2076 PolarHBondContact O-N 3.24Å; T2073-R2076 PolarHBondContact O-N 3.26Å; T2073-R2076 VanDerWaalsContact O-N 3.11Å |
| 2077 | E | 82.9 | Confident | 86.2 | Confident | 81 Ų | 81 | 49.9 Ų | 49.9 | 38% | 0.379 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -103.3 | -12 | -173.8 | -60.2 | -169.3 | -161.6 | 0 | 0 | 113.6 | T2073 Q2079 K2081 | T2073-E2077 HydrophobicContact CG2-CG 4.34Å; T2073-E2077 PolarHBondContact O-N 3.32Å; E2077-Q2079 HydrophobicContact CB-CG 3.75Å; E2077-Q2079 PolarHBondContact O-N 3.47Å; E2077-Q2079 PolarHBondContact OE2-NE2 3.12Å; E2077-K2081 IonicContact OE2-NZ 3.57Å |
| 2078 | G | 83.3 | Confident | 86.1 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 67.9 | 10.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A2074 L2090 | A2074-G2078 VanDerWaalsContact O-CA 3.29Å; A2074-G2078 WeakPolarHBondContact O-CA 3.41Å; A2074-G2078 PolarHBondContact O-N 3.48Å; G2078-L2090 CarbonylContact O-C 3.48Å; G2078-L2090 PolarHBondContact O-N 3.48Å |
| 2079 | Q | 87.2 | Confident | 86 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 168.1 | -173.8 | 72.4 | -172.2 | -8.1 | 0 | 0 | 110.7 | E2077 I2087 R2088 L2089 | E2077-Q2079 HydrophobicContact CB-CG 3.75Å; E2077-Q2079 PolarHBondContact O-N 3.47Å; E2077-Q2079 PolarHBondContact OE2-NE2 3.12Å; Q2079-I2087 HydrophobicContact CB-CG2 4.12Å; Q2079-R2088 CarbonylContact C-O 3.48Å; Q2079-R2088 VanDerWaalsContact CA-O 3.29Å; Q2079-R2088 WeakPolarHBondContact CA-O 3.48Å; Q2079-L2089 HydrophobicContact CB-CD2 4.03Å |
| 2080 | I | 89.7 | Confident | 85.9 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 163.6 | 170.9 | 49.3 | 157.7 | 0 | 0 | 0 | 110.8 | A2074 I2087 R2088 L2090 A2130 N2133 I2134 | A2074-I2080 HydrophobicContact CB-CG2 3.72Å; I2080-I2087 WeakPolarHBondContact O-CA 3.33Å; I2080-R2088 HydrophobicContact CD1-CB 4.08Å; I2080-R2088 HydrophobicContact CG1-CB 3.9Å; I2080-R2088 WeakPolarHBondContact CG1-O 3.3Å; I2080-R2088 PolarHBondContact N-O 2.83Å; I2080-R2088 PolarHBondContact O-N 3.46Å; I2080-R2088 VanDerWaalsContact O-N 3.12Å; I2080-L2090 HydrophobicContact CD1-CD1 4.34Å; I2080-L2090 HydrophobicContact CG1-CD1 4.16Å; I2080-L2090 HydrophobicContact CG2-CD1 4.1Å; I2080-A2130 HydrophobicContact CG2-CB 3.95Å; I2080-N2133 HydrophobicContact CD1-CB 3.24Å; I2080-I2134 HydrophobicContact CB-CG1 4.35Å; I2080-I2134 HydrophobicContact CG2-CD1 4.39Å |
| 2081 | K | 88.6 | Confident | 85.3 | Confident | 99 Ų | 99 | 47.6 Ų | 47.6 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.3 | -178 | -57.6 | -176.3 | -179.6 | 153.1 | 0 | 111.1 | E2077 H2086 I2087 | E2077-K2081 IonicContact OE2-NZ 3.57Å; K2081-H2086 WeakPolarHBondContact CA-O 3.4Å; K2081-I2087 HydrophobicContact CG-CG1 4.2Å |
| 2082 | T | 89.5 | Confident | 84.9 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | trans | -79.6 | -176.8 | 171 | 59.1 | 0 | 0 | 0 | 0 | 111.7 | G2085 H2086 E2141 | T2082-G2085 PolarHBondContact O-N 2.85Å; T2082-G2085 PolarHBondContact OG1-N 2.64Å; T2082-H2086 HydrophobicContact CG2-CB 3.9Å; T2082-H2086 PolarHBondContact N-O 2.7Å; T2082-H2086 VanDerWaalsContact N-O 3.09Å; T2082-H2086 WeakPolarHBondContact OG1-CA 3.3Å; T2082-H2086 VanDerWaalsContact OG1-CB 3.23Å; T2082-H2086 WeakPolarHBondContact OG1-CB 3.19Å; T2082-H2086 PolarHBondContact OG1-N 2.8Å; T2082-H2086 PolarHBondContact OG1-O 3.24Å; T2082-E2141 VanDerWaalsContact CB-OE1 3.25Å; T2082-E2141 WeakPolarHBondContact CB-OE1 3.37Å; T2082-E2141 VanDerWaalsContact OG1-CD 3.3Å; T2082-E2141 PolarHBondContact OG1-OE1 3.02Å; T2082-E2141 PolarHBondContact OG1-OE2 2.93Å | ||
| 2083 | L | 87.8 | Confident | 84.5 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -49 | 176.1 | -175.9 | 63.9 | 0 | 0 | 0 | 113.4 | Y1964 F1965 S2138 I2142 C2201 I2203 | Y1964-L2083 HydrophobicContact CE1-CD1 3.69Å; F1965-L2083 HydrophobicContact CZ-CB 4.22Å; F1965-L2083 HydrophobicContact CZ-CD1 4.48Å; L2083-S2138 WeakPolarHBondContact CB-OG 3.29Å; L2083-S2138 PolarHBondContact N-OG 3.14Å; L2083-I2142 HydrophobicContact CD2-CD1 4.19Å; L2083-I2142 HydrophobicContact CD2-CG1 4.41Å; L2083-C2201 HydrophobicContact CD2-CB 3.89Å; L2083-I2203 HydrophobicContact CD2-CD1 3.69Å; L2083-I2203 HydrophobicContact CD2-CG1 3.92Å |
| 2084 | N | 82.7 | Confident | 83.6 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 32% | 0.316 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 7.5 | -179.1 | -59.9 | -87 | 0 | 0 | 0 | 113.2 | L1706 I1710 E2141 | L1706-N2084 HydrophobicContact CD1-CB 4.09Å; I1710-N2084 HydrophobicContact CD1-CB 4.35Å; N2084-E2141 WeakPolarHBondContact CB-OE2 3.32Å; N2084-E2141 PolarHBondContact N-OE2 3.47Å; N2084-E2141 PolarHBondContact ND2-OE2 3.25Å |
| 2085 | G | 78.7 | Confident | 82.1 | Confident | 24 Ų | 24 | 49.7 Ų | 49.7 | 25% | 0.247 | 26% | 0.257 | C | S | . | . | trans | 87.4 | 20.5 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q1703 T2082 I2087 | Q1703-G2085 PolarHBondContact NE2-O 2.95Å; T2082-G2085 PolarHBondContact O-N 2.85Å; T2082-G2085 PolarHBondContact OG1-N 2.64Å; G2085-I2087 PolarHBondContact O-N 3.01Å | ||
| 2086 | H | 82.8 | Confident | 80.4 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | trans | -58 | 131.5 | 161.6 | -175 | -107.7 | 0 | 0 | 0 | 109.3 | W1601 P1605 L1706 K2081 T2082 E2141 | W1601-H2086 AromaticContact CH2-NE2 3.78Å; W1601-H2086 AromaticContact CZ2-NE2 3.8Å; P1605-H2086 WeakPolarHBondContact CG-CE1 3.4Å; P1605-H2086 WeakPolarHBondContact CG-NE2 3.16Å; L1706-H2086 HydrophobicContact CD2-CB 3.73Å; K2081-H2086 WeakPolarHBondContact CA-O 3.4Å; T2082-H2086 HydrophobicContact CG2-CB 3.9Å; T2082-H2086 PolarHBondContact N-O 2.7Å; T2082-H2086 VanDerWaalsContact N-O 3.09Å; T2082-H2086 WeakPolarHBondContact OG1-CA 3.3Å; T2082-H2086 VanDerWaalsContact OG1-CB 3.23Å; T2082-H2086 WeakPolarHBondContact OG1-CB 3.19Å; T2082-H2086 PolarHBondContact OG1-N 2.8Å; T2082-H2086 PolarHBondContact OG1-O 3.24Å; H2086-E2141 VanDerWaalsContact CB-OE1 3.29Å; H2086-E2141 WeakPolarHBondContact CB-OE1 3.33Å | ||
| 2087 | I | 84.1 | Confident | 78.6 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.7 | -174 | -62.5 | 175 | 0 | 0 | 0 | 108.6 | P1605 V1702 Q1703 Q2079 I2080 K2081 G2085 L2089 | P1605-I2087 VanDerWaalsContact CD-O 3.27Å; P1605-I2087 WeakPolarHBondContact CD-O 3.42Å; P1605-I2087 VanDerWaalsContact CG-O 3.27Å; P1605-I2087 WeakPolarHBondContact CG-O 3.2Å; V1702-I2087 HydrophobicContact CG1-CD1 4.09Å; Q1703-I2087 VanDerWaalsContact NE2-N 3.16Å; Q2079-I2087 HydrophobicContact CB-CG2 4.12Å; I2080-I2087 WeakPolarHBondContact O-CA 3.33Å; K2081-I2087 HydrophobicContact CG-CG1 4.2Å; G2085-I2087 PolarHBondContact O-N 3.01Å; I2087-L2089 HydrophobicContact CG2-CD2 4.17Å |
| 2088 | R | 87.7 | Confident | 76.9 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.8 | 166.3 | -173.5 | -174.6 | -179.4 | 154.4 | 3.5 | 109.9 | D1606 A1873 Q2079 I2080 N2133 | D1606-R2088 VanDerWaalsContact CG-NH2 3.25Å; D1606-R2088 IonicContact OD1-CZ 2.69Å; D1606-R2088 IonicContact OD1-NE 2.81Å; D1606-R2088 IonicContact OD1-NH2 3.66Å; D1606-R2088 PolarHBondContact OD1-NH2 2.94Å; D1606-R2088 IonicContact OD2-CZ 2.78Å; D1606-R2088 VanDerWaalsContact OD2-CZ 3.26Å; D1606-R2088 IonicContact OD2-NE 3.6Å; D1606-R2088 PolarHBondContact OD2-NE 2.73Å; D1606-R2088 IonicContact OD2-NH2 3.84Å; D1606-R2088 PolarHBondContact OD2-NH2 2.88Å; A1873-R2088 WeakPolarHBondContact O-CD 3.23Å; A1873-R2088 PolarHBondContact O-NH1 2.84Å; A1873-R2088 VanDerWaalsContact O-NH1 3.16Å; Q2079-R2088 CarbonylContact C-O 3.48Å; Q2079-R2088 VanDerWaalsContact CA-O 3.29Å; Q2079-R2088 WeakPolarHBondContact CA-O 3.48Å; I2080-R2088 HydrophobicContact CD1-CB 4.08Å; I2080-R2088 HydrophobicContact CG1-CB 3.9Å; I2080-R2088 WeakPolarHBondContact CG1-O 3.3Å; I2080-R2088 PolarHBondContact N-O 2.83Å; I2080-R2088 PolarHBondContact O-N 3.46Å; I2080-R2088 VanDerWaalsContact O-N 3.12Å; R2088-N2133 WeakPolarHBondContact CD-ND2 3.46Å; R2088-N2133 WeakPolarHBondContact CD-OD1 3.5Å; R2088-N2133 VanDerWaalsContact NH1-CG 3.29Å; R2088-N2133 PolarHBondContact NH1-ND2 3.43Å; R2088-N2133 PolarHBondContact NH1-OD1 3.3Å |
| 2089 | L | 86.2 | Confident | 74.9 | Confident | 63 Ų | 63 | 58.7 Ų | 58.7 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135.8 | 178.6 | -56.1 | 178.3 | 0 | 0 | 0 | 110 | N1604 Q2079 I2087 P2091 | N1604-L2089 HydrophobicContact CB-CD1 4.48Å; Q2079-L2089 HydrophobicContact CB-CD2 4.03Å; I2087-L2089 HydrophobicContact CG2-CD2 4.17Å; L2089-P2091 VanDerWaalsContact C-CD 3.5Å |
| 2090 | L | 86.8 | Confident | 72.6 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | trans | -127.2 | 66.3 | 177.3 | -65.9 | 175.8 | 0 | 0 | 0 | 109.2 | A2074 G2078 I2080 V2092 L2093 Q2129 A2130 | A2074-L2090 HydrophobicContact CB-CD1 4.4Å; G2078-L2090 CarbonylContact O-C 3.48Å; G2078-L2090 PolarHBondContact O-N 3.48Å; I2080-L2090 HydrophobicContact CD1-CD1 4.34Å; I2080-L2090 HydrophobicContact CG1-CD1 4.16Å; I2080-L2090 HydrophobicContact CG2-CD1 4.1Å; L2090-V2092 PolarHBondContact O-N 3.07Å; L2090-L2093 HydrophobicContact CB-CD1 3.94Å; L2090-L2093 HydrophobicContact CB-CG 4.28Å; L2090-L2093 HydrophobicContact CD1-CD1 4.03Å; L2090-L2093 WeakPolarHBondContact O-CB 3.35Å; L2090-L2093 PolarHBondContact O-N 3.1Å; L2090-Q2129 HydrophobicContact CD2-CB 4.32Å; L2090-A2130 HydrophobicContact CD1-CB 3.78Å | ||
| 2091 | P | 78.3 | Confident | 69.8 | Low | 97 Ų | 97 | 67.9 Ų | 67.9 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -60.8 | -24.5 | -165.2 | 22.8 | -34.5 | 0 | 0 | 0 | 114.6 | L2089 L2093 N2094 | L2089-P2091 VanDerWaalsContact C-CD 3.5Å; P2091-L2093 PolarHBondContact O-N 3.09Å; P2091-N2094 WeakPolarHBondContact O-CB 3.16Å; P2091-N2094 PolarHBondContact O-N 3.14Å |
| 2092 | V | 78.4 | Confident | 67.1 | Low | 67 Ų | 67 | 67.3 Ų | 67.3 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -57.7 | -30.2 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | L2090 A2122 V2123 | L2090-V2092 PolarHBondContact O-N 3.07Å; V2092-A2122 HydrophobicContact CG1-CB 3.96Å; V2092-V2123 HydrophobicContact CG1-CG2 3.88Å |
| 2093 | L | 79.5 | Confident | 64.2 | Low | 4 Ų | 4 | 71.9 Ų | 71.9 | 2% | 0.021 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -83.8 | -13.5 | 179.5 | -54.6 | 179.6 | 0 | 0 | 0 | 112.9 | A2074 L2090 P2091 S2095 V2123 A2126 E2127 | A2074-L2093 HydrophobicContact CB-CD1 3.61Å; L2090-L2093 HydrophobicContact CB-CD1 3.94Å; L2090-L2093 HydrophobicContact CB-CG 4.28Å; L2090-L2093 HydrophobicContact CD1-CD1 4.03Å; L2090-L2093 WeakPolarHBondContact O-CB 3.35Å; L2090-L2093 PolarHBondContact O-N 3.1Å; P2091-L2093 PolarHBondContact O-N 3.09Å; L2093-S2095 VanDerWaalsContact C-N 3.29Å; L2093-S2095 PolarHBondContact O-N 3Å; L2093-V2123 HydrophobicContact CD2-CG1 4.05Å; L2093-V2123 HydrophobicContact CD2-CG2 4.48Å; L2093-A2126 HydrophobicContact CD1-CB 4.05Å; L2093-A2126 HydrophobicContact CD2-CB 3.81Å; L2093-A2126 HydrophobicContact CG-CB 3.82Å; L2093-E2127 HydrophobicContact CD2-CG 4.16Å |
| 2094 | N | 67 | Low | 61.5 | Low | 97 Ų | 97 | 76 Ų | 76 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -88.3 | 14.2 | -176.7 | -158.8 | 3.4 | 0 | 0 | 0 | 113.4 | P2091 K2096 | P2091-N2094 WeakPolarHBondContact O-CB 3.16Å; P2091-N2094 PolarHBondContact O-N 3.14Å; N2094-K2096 PolarHBondContact O-N 2.84Å |
| 2095 | S | 55.9 | Low | 59 | Low | 53 Ų | 53 | 81.9 Ų | 81.9 | 37% | 0.371 | 47% | 0.471 | S | S | . | . | trans | -79.6 | 121.7 | 179.4 | 85.8 | 0 | 0 | 0 | 0 | 110.8 | L2093 T2097 | L2093-S2095 VanDerWaalsContact C-N 3.29Å; L2093-S2095 PolarHBondContact O-N 3Å; S2095-T2097 PolarHBondContact O-N 2.76Å; S2095-T2097 PolarHBondContact OG-OG1 3.15Å | ||
| 2096 | K | 49.1 | Very low | 56.7 | Low | 184 Ų | 184 | 89 Ų | 89 | 80% | 0.8 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -59.9 | -8.4 | -179.9 | -67.6 | -174.7 | 176.4 | -177.8 | 0 | 114.9 | N2094 V2098 | N2094-K2096 PolarHBondContact O-N 2.84Å; K2096-V2098 PolarHBondContact O-N 2.77Å |
| 2097 | T | 44.7 | Very low | 54.2 | Low | 125 Ų | 125 | 96 Ų | 96 | 77% | 0.767 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -68 | -10.5 | -177 | 63.4 | 0 | 0 | 0 | 0 | 115.1 | S2095 | S2095-T2097 PolarHBondContact O-N 2.76Å; S2095-T2097 PolarHBondContact OG-OG1 3.15Å |
| 2098 | V | 47 | Very low | 51.5 | Low | 66 Ų | 66 | 101 Ų | 101 | 40% | 0.4 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -96 | -19.7 | -172.7 | -176 | 0 | 0 | 0 | 0 | 113.9 | K2096 | K2096-V2098 PolarHBondContact O-N 2.77Š|
| 2099 | F | 41.9 | Very low | 48.7 | Very low | 123 Ų | 123 | 105.9 Ų | 105.9 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.2 | -10.5 | -166.2 | -77 | -78.2 | 0 | 0 | 0 | 117 | H2075 S2101 | H2075-F2099 HydrophobicContact CB-CE2 4.06Å; H2075-F2099 HydrophobicContact CB-CZ 4.06Å; F2099-S2101 VanDerWaalsContact C-N 3.27Å; F2099-S2101 PolarHBondContact O-N 2.81Å |
| 2100 | D | 37.6 | Very low | 45.9 | Very low | 163 Ų | 163 | 109.1 Ų | 109.1 | 87% | 0.872 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -81.8 | 9.4 | -176.6 | -92.4 | -18.9 | 0 | 0 | 0 | 115.1 | ||
| 2101 | S | 30.8 | Very low | 43.1 | Very low | 83 Ų | 83 | 119.5 Ų | 119.5 | 58% | 0.58 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -116.4 | 98.9 | 171.3 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | F2099 T2103 | F2099-S2101 VanDerWaalsContact C-N 3.27Å; F2099-S2101 PolarHBondContact O-N 2.81Å; S2101-T2103 VanDerWaalsContact C-N 3.31Å; S2101-T2103 PolarHBondContact O-N 3.15Å |
| 2102 | G | 31.5 | Very low | 40.7 | Very low | 86 Ų | 86 | 119.9 Ų | 119.9 | 89% | 0.887 | 66% | 0.659 | S | S | * | * | trans | -72.8 | 66.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 2103 | T | 28.7 | Very low | 38.5 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 68% | 0.68 | S | S | * | * | trans | -127.9 | 136.8 | 172.1 | 48 | 0 | 0 | 0 | 0 | 111.4 | S2101 | S2101-T2103 VanDerWaalsContact C-N 3.31Å; S2101-T2103 PolarHBondContact O-N 3.15Å | ||
| 2104 | P | 31.3 | Very low | 36.3 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | trans | -60.2 | 155.6 | 179.7 | -25.5 | 35.6 | 0 | 0 | 0 | 114.9 | E2106 | P2104-E2106 PolarHBondContact O-N 2.91Š| ||
| 2105 | Y | 30.6 | Very low | 34.5 | Very low | 182 Ų | 182 | 140 Ų | 140 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | trans | -82.1 | 72.7 | -167.4 | -149.6 | -81.3 | 0 | 0 | 0 | 112.9 | ||||
| 2106 | E | 29.9 | Very low | 34.1 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | -86.1 | 125.5 | 167.7 | -74.7 | -159.3 | 155.8 | 0 | 0 | 112.2 | P2104 N2108 | P2104-E2106 PolarHBondContact O-N 2.91Å; E2106-N2108 PolarHBondContact O-N 3.4Å | ||
| 2107 | L | 31 | Very low | 34 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | trans | -72.4 | 92.8 | 178.2 | -81.1 | 152.4 | 0 | 0 | 0 | 111 | ||||
| 2108 | N | 27.8 | Very low | 34.1 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | trans | -129.8 | 111.8 | 172.5 | -135.6 | -35.9 | 0 | 0 | 0 | 112.1 | E2106 N2110 | E2106-N2108 PolarHBondContact O-N 3.4Å; N2108-N2110 PolarHBondContact O-N 2.93Å | ||
| 2109 | C | 28.4 | Very low | 34.6 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -80.3 | 73.1 | -163.5 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2110 | N | 27.1 | Very low | 35.5 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -135.7 | 43.1 | -179 | -112.9 | -27.1 | 0 | 0 | 0 | 114.9 | N2108 S2112 | N2108-N2110 PolarHBondContact O-N 2.93Å; N2110-S2112 VanDerWaalsContact C-N 3.27Å; N2110-S2112 PolarHBondContact O-N 2.82Å | ||
| 2111 | W | 29.5 | Very low | 36.8 | Very low | 226 Ų | 226 | 138.5 Ų | 138.5 | 86% | 0.856 | 70% | 0.701 | S | S | * | * | trans | -78.1 | 67.3 | 176.2 | -84.9 | 40.4 | 0 | 0 | 0 | 113.3 | K2113 | W2111-K2113 PolarHBondContact O-N 3.2Å; W2111-K2113 VanDerWaalsContact O-N 3.16Å | ||
| 2112 | S | 27.3 | Very low | 38.5 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -86.7 | 67.6 | -176.8 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | N2110 | N2110-S2112 VanDerWaalsContact C-N 3.27Å; N2110-S2112 PolarHBondContact O-N 2.82Å | ||
| 2113 | K | 31.3 | Very low | 40.6 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 85% | 0.848 | 65% | 0.654 | S | S | * | * | trans | -149.6 | 50.2 | 172.7 | -115.6 | 165 | -170.5 | 177.1 | 0 | 117 | W2111 Y2115 | W2111-K2113 PolarHBondContact O-N 3.2Å; W2111-K2113 VanDerWaalsContact O-N 3.16Å; K2113-Y2115 VanDerWaalsContact C-N 3.32Å; K2113-Y2115 PolarHBondContact O-N 3.1Å | ||
| 2114 | K | 32.8 | Very low | 42.8 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 74% | 0.735 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 51.5 | -11.7 | 150.3 | -123.6 | 178.2 | -176.2 | -179.2 | 0 | 123.2 | ||
| 2115 | Y | 30.8 | Very low | 45 | Very low | 225 Ų | 225 | 129.8 Ų | 129.8 | 88% | 0.882 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -113.8 | -25.9 | -173.8 | -94.9 | -87.9 | 0 | 0 | 0 | 116.9 | K2113 L2117 | K2113-Y2115 VanDerWaalsContact C-N 3.32Å; K2113-Y2115 PolarHBondContact O-N 3.1Å; Y2115-L2117 PolarHBondContact O-N 2.88Å |
| 2116 | D | 47.6 | Very low | 47.6 | Very low | 80 Ų | 80 | 121.3 Ų | 121.3 | 43% | 0.428 | 59% | 0.585 | S | S | . | * | trans | -100.3 | 18.4 | -159.7 | -150.5 | 20.2 | 0 | 0 | 0 | 116.2 | R2118 N2119 H2120 | D2116-R2118 PolarHBondContact O-N 3.33Å; D2116-N2119 WeakPolarHBondContact OD1-CB 3.39Å; D2116-N2119 PolarHBondContact OD1-ND2 3.04Å; D2116-H2120 PolarHBondContact O-N 3.24Å; D2116-H2120 VanDerWaalsContact O-N 3.11Å | ||
| 2117 | L | 45.8 | Very low | 50.2 | Low | 76 Ų | 76 | 114.8 Ų | 114.8 | 40% | 0.398 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -75.3 | -21.1 | -168.9 | -90.6 | 163.3 | 0 | 0 | 0 | 115.7 | K1791 Y2115 F2121 | K1791-L2117 HydrophobicContact CD-CD1 4.22Å; Y2115-L2117 PolarHBondContact O-N 2.88Å; L2117-F2121 WeakPolarHBondContact O-CD2 3.2Å; L2117-F2121 PolarHBondContact O-N 2.93Å |
| 2118 | R | 48.1 | Very low | 52.7 | Low | 224 Ų | 224 | 112.4 Ų | 112.4 | 85% | 0.845 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.7 | -47.7 | 172.6 | -90.2 | -171.9 | 172.7 | -171.9 | -4.6 | 110.6 | D2116 H2120 F2121 A2122 | D2116-R2118 PolarHBondContact O-N 3.33Å; R2118-H2120 VanDerWaalsContact C-N 3.31Å; R2118-H2120 PolarHBondContact O-N 2.93Å; R2118-F2121 PolarHBondContact O-N 2.84Å; R2118-A2122 PolarHBondContact O-N 2.82Å |
| 2119 | N | 56.8 | Low | 55.4 | Low | 96 Ų | 96 | 108.4 Ų | 108.4 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 177.1 | -63.2 | -17.5 | 0 | 0 | 0 | 110.6 | D2116 F2121 A2122 V2123 | D2116-N2119 WeakPolarHBondContact OD1-CB 3.39Å; D2116-N2119 PolarHBondContact OD1-ND2 3.04Å; N2119-F2121 PolarHBondContact O-N 2.97Å; N2119-A2122 CarbonylContact O-C 3.33Å; N2119-A2122 PolarHBondContact O-N 3.4Å; N2119-A2122 VanDerWaalsContact O-N 3.09Å; N2119-V2123 WeakPolarHBondContact O-CB 3.33Å; N2119-V2123 WeakPolarHBondContact O-CG2 3.38Å; N2119-V2123 PolarHBondContact O-N 3.09Å |
| 2120 | H | 61.3 | Low | 58.3 | Low | 93 Ų | 93 | 102.6 Ų | 102.6 | 43% | 0.431 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 176.6 | -171.6 | 61.7 | 0 | 0 | 0 | 113.8 | D2116 R2118 I2124 | D2116-H2120 PolarHBondContact O-N 3.24Å; D2116-H2120 VanDerWaalsContact O-N 3.11Å; R2118-H2120 VanDerWaalsContact C-N 3.31Å; R2118-H2120 PolarHBondContact O-N 2.93Å; H2120-I2124 WeakPolarHBondContact NE2-CD1 3.26Å; H2120-I2124 WeakPolarHBondContact O-CB 3.27Å; H2120-I2124 WeakPolarHBondContact O-CG1 3.41Å; H2120-I2124 PolarHBondContact O-N 3.49Å |
| 2121 | F | 63.5 | Low | 61.2 | Low | 114 Ų | 114 | 96.8 Ų | 96.8 | 50% | 0.5 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.4 | -34.3 | 174.2 | -76.2 | -57.2 | 0 | 0 | 0 | 113.2 | L2117 R2118 N2119 K2125 | L2117-F2121 WeakPolarHBondContact O-CD2 3.2Å; L2117-F2121 PolarHBondContact O-N 2.93Å; R2118-F2121 PolarHBondContact O-N 2.84Å; N2119-F2121 PolarHBondContact O-N 2.97Å; F2121-K2125 WeakPolarHBondContact O-CB 3.5Å; F2121-K2125 PolarHBondContact O-N 2.82Å |
| 2122 | A | 68 | Low | 64 | Low | 36 Ų | 36 | 87.5 Ų | 87.5 | 30% | 0.298 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V2092 R2118 N2119 K2125 A2126 | V2092-A2122 HydrophobicContact CG1-CB 3.96Å; R2118-A2122 PolarHBondContact O-N 2.82Å; N2119-A2122 CarbonylContact O-C 3.33Å; N2119-A2122 PolarHBondContact O-N 3.4Å; N2119-A2122 VanDerWaalsContact O-N 3.09Å; A2122-K2125 WeakPolarHBondContact O-CB 3.31Å; A2122-K2125 PolarHBondContact O-N 3.32Å; A2122-A2126 WeakPolarHBondContact O-CB 3.39Å; A2122-A2126 PolarHBondContact O-N 3.22Å |
| 2123 | V | 75.7 | Confident | 66.9 | Low | 31 Ų | 31 | 82.9 Ų | 82.9 | 19% | 0.188 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.6 | -52.8 | 171.7 | 170.7 | 0 | 0 | 0 | 0 | 110 | V2092 L2093 N2119 K2125 A2126 E2127 | V2092-V2123 HydrophobicContact CG1-CG2 3.88Å; L2093-V2123 HydrophobicContact CD2-CG1 4.05Å; L2093-V2123 HydrophobicContact CD2-CG2 4.48Å; N2119-V2123 WeakPolarHBondContact O-CB 3.33Å; N2119-V2123 WeakPolarHBondContact O-CG2 3.38Å; N2119-V2123 PolarHBondContact O-N 3.09Å; V2123-K2125 PolarHBondContact O-N 2.92Å; V2123-K2125 VanDerWaalsContact O-N 3.16Å; V2123-A2126 CarbonylContact O-C 3.59Å; V2123-A2126 WeakPolarHBondContact O-CA 3.32Å; V2123-A2126 PolarHBondContact O-N 2.85Å; V2123-E2127 HydrophobicContact CG1-CG 4Å; V2123-E2127 WeakPolarHBondContact O-CG 3.38Å; V2123-E2127 PolarHBondContact O-N 3.03Å |
| 2124 | I | 74.4 | Confident | 69.8 | Low | 56 Ų | 56 | 74.4 Ų | 74.4 | 29% | 0.287 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.7 | -28.9 | 177.8 | -70.7 | 167.9 | 0 | 0 | 0 | 112.4 | H2120 R2128 | H2120-I2124 WeakPolarHBondContact NE2-CD1 3.26Å; H2120-I2124 WeakPolarHBondContact O-CB 3.27Å; H2120-I2124 WeakPolarHBondContact O-CG1 3.41Å; H2120-I2124 PolarHBondContact O-N 3.49Å; I2124-R2128 VanDerWaalsContact O-CG 3.31Å; I2124-R2128 WeakPolarHBondContact O-CG 3.27Å; I2124-R2128 PolarHBondContact O-N 3.04Å; I2124-R2128 PolarHBondContact O-NE 3.29Å |
| 2125 | K | 78.2 | Confident | 72.6 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.6 | -49.4 | 170.5 | -173.1 | -174.9 | 172.5 | -171.8 | 0 | 110.6 | F2121 A2122 V2123 R2128 Q2129 | F2121-K2125 WeakPolarHBondContact O-CB 3.5Å; F2121-K2125 PolarHBondContact O-N 2.82Å; A2122-K2125 WeakPolarHBondContact O-CB 3.31Å; A2122-K2125 PolarHBondContact O-N 3.32Å; V2123-K2125 PolarHBondContact O-N 2.92Å; V2123-K2125 VanDerWaalsContact O-N 3.16Å; K2125-R2128 PolarHBondContact O-N 3.04Å; K2125-Q2129 VanDerWaalsContact O-CG 3.31Å; K2125-Q2129 WeakPolarHBondContact O-CG 3.5Å; K2125-Q2129 PolarHBondContact O-N 3.14Å; K2125-Q2129 PolarHBondContact O-OE1 3.1Å |
| 2126 | A | 83.7 | Confident | 75.4 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -36.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L2093 A2122 V2123 Q2129 A2130 | L2093-A2126 HydrophobicContact CD1-CB 4.05Å; L2093-A2126 HydrophobicContact CD2-CB 3.81Å; L2093-A2126 HydrophobicContact CG-CB 3.82Å; A2122-A2126 WeakPolarHBondContact O-CB 3.39Å; A2122-A2126 PolarHBondContact O-N 3.22Å; V2123-A2126 CarbonylContact O-C 3.59Å; V2123-A2126 WeakPolarHBondContact O-CA 3.32Å; V2123-A2126 PolarHBondContact O-N 2.85Å; A2126-Q2129 CarbonylContact O-C 3.55Å; A2126-Q2129 PolarHBondContact O-N 3.47Å; A2126-A2130 WeakPolarHBondContact O-CB 3.2Å; A2126-A2130 PolarHBondContact O-N 3.47Å |
| 2127 | E | 84.1 | Confident | 77.4 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 175.4 | -69.8 | 178.1 | 149.4 | 0 | 0 | 111.9 | V2071 H2075 L2093 V2123 A2130 V2131 | V2071-E2127 HydrophobicContact CG1-CB 4.33Å; V2071-E2127 HydrophobicContact CG1-CG 3.89Å; V2071-E2127 HydrophobicContact CG2-CB 4.05Å; V2071-E2127 HydrophobicContact CG2-CG 4.5Å; H2075-E2127 IonicContact CD2-OE1 3.17Å; H2075-E2127 IonicContact CE1-OE1 2.76Å; H2075-E2127 IonicContact NE2-OE1 3.27Å; H2075-E2127 PolarHBondContact NE2-OE1 3.42Å; L2093-E2127 HydrophobicContact CD2-CG 4.16Å; V2123-E2127 HydrophobicContact CG1-CG 4Å; V2123-E2127 WeakPolarHBondContact O-CG 3.38Å; V2123-E2127 PolarHBondContact O-N 3.03Å; E2127-A2130 WeakPolarHBondContact O-CB 3.36Å; E2127-A2130 PolarHBondContact O-N 3.41Å; E2127-V2131 PolarHBondContact O-N 3.44Å |
| 2128 | R | 83.5 | Confident | 79.7 | Confident | 104 Ų | 104 | 49.6 Ų | 49.6 | 39% | 0.392 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.6 | -39.2 | 173.7 | -68.1 | -180 | -70.2 | 154.7 | 1.6 | 111.7 | G2032 I2124 K2125 A2130 V2131 N2132 | G2032-R2128 WeakPolarHBondContact O-CD 3.16Å; I2124-R2128 VanDerWaalsContact O-CG 3.31Å; I2124-R2128 WeakPolarHBondContact O-CG 3.27Å; I2124-R2128 PolarHBondContact O-N 3.04Å; I2124-R2128 PolarHBondContact O-NE 3.29Å; K2125-R2128 PolarHBondContact O-N 3.04Å; R2128-A2130 VanDerWaalsContact C-N 3.29Å; R2128-A2130 PolarHBondContact O-N 3.23Å; R2128-V2131 PolarHBondContact O-N 3.07Å; R2128-N2132 VanDerWaalsContact O-CB 3.22Å; R2128-N2132 WeakPolarHBondContact O-CB 3.2Å; R2128-N2132 PolarHBondContact O-N 3.14Å |
| 2129 | Q | 86.4 | Confident | 81.8 | Confident | 51 Ų | 51 | 39.3 Ų | 39.3 | 24% | 0.238 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -36.3 | 171.1 | -72.6 | 172 | -58.9 | 0 | 0 | 111.6 | L2090 K2125 A2126 V2131 N2132 N2133 | L2090-Q2129 HydrophobicContact CD2-CB 4.32Å; K2125-Q2129 VanDerWaalsContact O-CG 3.31Å; K2125-Q2129 WeakPolarHBondContact O-CG 3.5Å; K2125-Q2129 PolarHBondContact O-N 3.14Å; K2125-Q2129 PolarHBondContact O-OE1 3.1Å; A2126-Q2129 CarbonylContact O-C 3.55Å; A2126-Q2129 PolarHBondContact O-N 3.47Å; Q2129-V2131 PolarHBondContact O-N 3.4Å; Q2129-N2132 PolarHBondContact O-N 3.31Å; Q2129-N2133 VanDerWaalsContact O-CB 3.31Å; Q2129-N2133 WeakPolarHBondContact O-CB 3.19Å; Q2129-N2133 PolarHBondContact O-N 3.14Å; Q2129-N2133 PolarHBondContact O-ND2 3.16Å |
| 2130 | A | 88.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | A2074 I2080 L2090 A2126 E2127 R2128 I2134 | A2074-A2130 HydrophobicContact CB-CB 3.64Å; I2080-A2130 HydrophobicContact CG2-CB 3.95Å; L2090-A2130 HydrophobicContact CD1-CB 3.78Å; A2126-A2130 WeakPolarHBondContact O-CB 3.2Å; A2126-A2130 PolarHBondContact O-N 3.47Å; E2127-A2130 WeakPolarHBondContact O-CB 3.36Å; E2127-A2130 PolarHBondContact O-N 3.41Å; R2128-A2130 VanDerWaalsContact C-N 3.29Å; R2128-A2130 PolarHBondContact O-N 3.23Å; A2130-I2134 VanDerWaalsContact O-CD1 3.26Å; A2130-I2134 WeakPolarHBondContact O-CD1 3.14Å; A2130-I2134 VanDerWaalsContact O-CG1 3.3Å; A2130-I2134 WeakPolarHBondContact O-CG1 3.44Å |
| 2131 | V | 88.4 | Confident | 84.8 | Confident | 10 Ų | 10 | 31 Ų | 31 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.2 | -50.9 | 175 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | F2066 I2067 A2070 V2071 E2127 R2128 Q2129 N2133 I2134 | F2066-V2131 HydrophobicContact CE1-CG1 4.03Å; I2067-V2131 HydrophobicContact CG1-CG1 4.17Å; I2067-V2131 HydrophobicContact CG1-CG2 4.5Å; I2067-V2131 HydrophobicContact CG2-CG2 4.19Å; A2070-V2131 HydrophobicContact CB-CG2 4.32Å; V2071-V2131 HydrophobicContact CG2-CG2 4.06Å; E2127-V2131 PolarHBondContact O-N 3.44Å; R2128-V2131 PolarHBondContact O-N 3.07Å; Q2129-V2131 PolarHBondContact O-N 3.4Å; V2131-N2133 PolarHBondContact O-N 3.49Å; V2131-I2134 PolarHBondContact O-N 3.44Å |
| 2132 | N | 87.3 | Confident | 86.2 | Confident | 30 Ų | 30 | 25.5 Ų | 25.5 | 16% | 0.16 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.1 | -47 | -170.6 | -171.8 | 13.8 | 0 | 0 | 0 | 112.5 | Y2031 R2128 Q2129 I2134 I2135 Q2136 | Y2031-N2132 VanDerWaalsContact CD1-OD1 3.27Å; Y2031-N2132 WeakPolarHBondContact CD1-OD1 3.36Å; R2128-N2132 VanDerWaalsContact O-CB 3.22Å; R2128-N2132 WeakPolarHBondContact O-CB 3.2Å; R2128-N2132 PolarHBondContact O-N 3.14Å; Q2129-N2132 PolarHBondContact O-N 3.31Å; N2132-I2134 VanDerWaalsContact C-N 3.33Å; N2132-I2134 PolarHBondContact O-N 2.81Å; N2132-I2135 PolarHBondContact O-N 3.46Å; N2132-I2135 VanDerWaalsContact O-N 3.1Å; N2132-Q2136 PolarHBondContact ND2-OE1 3.14Å; N2132-Q2136 PolarHBondContact O-N 2.82Å; N2132-Q2136 WeakPolarHBondContact OD1-CG 3.48Å; N2132-Q2136 PolarHBondContact OD1-NE2 3.48Å; N2132-Q2136 PolarHBondContact OD1-OE1 3.21Å |
| 2133 | N | 89.7 | Confident | 87.4 | Confident | 8 Ų | 8 | 23.9 Ų | 23.9 | 4% | 0.043 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.3 | -34.1 | -178.5 | -80.7 | -75.3 | 0 | 0 | 0 | 113.8 | A1873 T1874 I2080 R2088 Q2129 V2131 I2135 G2137 | A1873-N2133 PolarHBondContact O-OD1 2.92Å; T1874-N2133 VanDerWaalsContact CG2-OD1 3.31Å; T1874-N2133 WeakPolarHBondContact CG2-OD1 3.28Å; I2080-N2133 HydrophobicContact CD1-CB 3.24Å; R2088-N2133 WeakPolarHBondContact CD-ND2 3.46Å; R2088-N2133 WeakPolarHBondContact CD-OD1 3.5Å; R2088-N2133 VanDerWaalsContact NH1-CG 3.29Å; R2088-N2133 PolarHBondContact NH1-ND2 3.43Å; R2088-N2133 PolarHBondContact NH1-OD1 3.3Å; Q2129-N2133 VanDerWaalsContact O-CB 3.31Å; Q2129-N2133 WeakPolarHBondContact O-CB 3.19Å; Q2129-N2133 PolarHBondContact O-N 3.14Å; Q2129-N2133 PolarHBondContact O-ND2 3.16Å; V2131-N2133 PolarHBondContact O-N 3.49Å; N2133-I2135 PolarHBondContact O-N 3.45Å; N2133-G2137 WeakPolarHBondContact O-CA 3.33Å; N2133-G2137 PolarHBondContact O-N 3.5Å |
| 2134 | I | 92.2 | Very high | 88.2 | Confident | 17 Ų | 17 | 22.5 Ų | 22.5 | 9% | 0.087 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.1 | -35.4 | 177.3 | -67.4 | 170 | 0 | 0 | 0 | 109.7 | F1965 F2066 A2070 I2080 A2130 V2131 N2132 S2138 | F1965-I2134 HydrophobicContact CD1-CG2 4.26Å; F1965-I2134 HydrophobicContact CD2-CG2 4.01Å; F1965-I2134 HydrophobicContact CE1-CG2 4.09Å; F1965-I2134 HydrophobicContact CE2-CG2 3.82Å; F1965-I2134 WeakPolarHBondContact CE2-O 3.44Å; F1965-I2134 HydrophobicContact CG-CG2 4.24Å; F1965-I2134 HydrophobicContact CZ-CG2 3.86Å; F2066-I2134 HydrophobicContact CE2-CG2 4.21Å; F2066-I2134 HydrophobicContact CZ-CB 4.49Å; F2066-I2134 HydrophobicContact CZ-CG2 4.16Å; A2070-I2134 HydrophobicContact CB-CD1 3.81Å; I2080-I2134 HydrophobicContact CB-CG1 4.35Å; I2080-I2134 HydrophobicContact CG2-CD1 4.39Å; A2130-I2134 VanDerWaalsContact O-CD1 3.26Å; A2130-I2134 WeakPolarHBondContact O-CD1 3.14Å; A2130-I2134 VanDerWaalsContact O-CG1 3.3Å; A2130-I2134 WeakPolarHBondContact O-CG1 3.44Å; V2131-I2134 PolarHBondContact O-N 3.44Å; N2132-I2134 VanDerWaalsContact C-N 3.33Å; N2132-I2134 PolarHBondContact O-N 2.81Å; I2134-S2138 VanDerWaalsContact O-CB 3.27Å; I2134-S2138 WeakPolarHBondContact O-CB 3.38Å; I2134-S2138 PolarHBondContact O-OG 2.94Å |
| 2135 | I | 91.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -86.7 | -55.7 | -179.7 | -57.2 | 179 | 0 | 0 | 0 | 111 | E1958 L1961 L1962 F1965 L2030 F2066 N2132 N2133 G2137 S2138 A2139 | E1958-I2135 HydrophobicContact CB-CG2 3.75Å; E1958-I2135 HydrophobicContact CG-CG2 4.06Å; E1958-I2135 WeakPolarHBondContact O-CG2 3.41Å; L1961-I2135 HydrophobicContact CB-CG2 4.03Å; L1961-I2135 HydrophobicContact CD1-CG2 4.49Å; L1962-I2135 HydrophobicContact CB-CD1 4.15Å; L1962-I2135 HydrophobicContact CD1-CD1 3.67Å; F1965-I2135 HydrophobicContact CD2-CG1 4.39Å; L2030-I2135 HydrophobicContact CD2-CD1 3.48Å; L2030-I2135 VanDerWaalsContact CD2-CD1 3.48Å; L2030-I2135 HydrophobicContact CD2-CG2 4.12Å; F2066-I2135 HydrophobicContact CE1-CD1 4.06Å; F2066-I2135 HydrophobicContact CZ-CD1 4.39Å; F2066-I2135 HydrophobicContact CZ-CG1 4.39Å; N2132-I2135 PolarHBondContact O-N 3.46Å; N2132-I2135 VanDerWaalsContact O-N 3.1Å; N2133-I2135 PolarHBondContact O-N 3.45Å; I2135-G2137 VanDerWaalsContact C-N 3.32Å; I2135-G2137 PolarHBondContact O-N 3.28Å; I2135-S2138 PolarHBondContact O-N 3.31Å; I2135-A2139 WeakPolarHBondContact O-CB 3.3Å; I2135-A2139 PolarHBondContact O-N 3.19Å |
| 2136 | Q | 89.5 | Confident | 89.8 | Confident | 27 Ų | 27 | 16.4 Ų | 16.4 | 13% | 0.126 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.5 | -35.2 | -178.2 | -74.7 | -170.6 | -16.9 | 0 | 0 | 113.3 | T1874 E1958 Y2031 N2132 S2140 | T1874-Q2136 HydrophobicContact CG2-CB 4.21Å; E1958-Q2136 WeakPolarHBondContact OE1-CG 3.46Å; Y2031-Q2136 HydrophobicContact CE1-CG 4.23Å; N2132-Q2136 PolarHBondContact ND2-OE1 3.14Å; N2132-Q2136 PolarHBondContact O-N 2.82Å; N2132-Q2136 WeakPolarHBondContact OD1-CG 3.48Å; N2132-Q2136 PolarHBondContact OD1-NE2 3.48Å; N2132-Q2136 PolarHBondContact OD1-OE1 3.21Å; Q2136-S2140 PolarHBondContact O-N 3.18Å |
| 2137 | G | 89.9 | Confident | 90.3 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.3 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1874 N2133 I2135 A2139 S2140 E2141 | T1874-G2137 VanDerWaalsContact O-CA 3.22Å; T1874-G2137 WeakPolarHBondContact O-CA 3.27Å; N2133-G2137 WeakPolarHBondContact O-CA 3.33Å; N2133-G2137 PolarHBondContact O-N 3.5Å; I2135-G2137 VanDerWaalsContact C-N 3.32Å; I2135-G2137 PolarHBondContact O-N 3.28Å; G2137-A2139 VanDerWaalsContact C-N 3.27Å; G2137-A2139 PolarHBondContact O-N 3.19Å; G2137-S2140 PolarHBondContact O-N 3.1Å; G2137-S2140 VanDerWaalsContact O-N 3.1Å; G2137-E2141 WeakPolarHBondContact O-CG 3.25Å; G2137-E2141 PolarHBondContact O-N 2.88Å |
| 2138 | S | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63 | -33.6 | 174.2 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | F1965 L2083 I2134 I2135 E2141 I2142 | F1965-S2138 WeakPolarHBondContact CZ-OG 3.34Å; L2083-S2138 WeakPolarHBondContact CB-OG 3.29Å; L2083-S2138 PolarHBondContact N-OG 3.14Å; I2134-S2138 VanDerWaalsContact O-CB 3.27Å; I2134-S2138 WeakPolarHBondContact O-CB 3.38Å; I2134-S2138 PolarHBondContact O-OG 2.94Å; I2135-S2138 PolarHBondContact O-N 3.31Å; S2138-E2141 PolarHBondContact O-N 3.48Å; S2138-I2142 WeakPolarHBondContact O-CD1 3.27Å; S2138-I2142 VanDerWaalsContact O-CG1 3.29Å; S2138-I2142 WeakPolarHBondContact O-CG1 3.36Å; S2138-I2142 PolarHBondContact O-N 3.05Å |
| 2139 | A | 91.9 | Very high | 91.2 | Very high | 8 Ų | 8 | 11.9 Ų | 11.9 | 7% | 0.066 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1957 E1958 L1961 I2135 G2137 I2142 A2143 | L1957-A2139 HydrophobicContact CD2-CB 3.96Å; L1957-A2139 HydrophobicContact CG-CB 4.13Å; E1958-A2139 HydrophobicContact CG-CB 3.9Å; L1961-A2139 HydrophobicContact CD1-CB 3.69Å; I2135-A2139 WeakPolarHBondContact O-CB 3.3Å; I2135-A2139 PolarHBondContact O-N 3.19Å; G2137-A2139 VanDerWaalsContact C-N 3.27Å; G2137-A2139 PolarHBondContact O-N 3.19Å; A2139-I2142 PolarHBondContact O-N 2.95Å; A2139-A2143 PolarHBondContact O-N 3.33Å |
| 2140 | S | 91.5 | Very high | 91.6 | Very high | 7 Ų | 7 | 9.5 Ų | 9.5 | 5% | 0.049 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -67 | -36.4 | 175.6 | -169.7 | 0 | 0 | 0 | 0 | 113.4 | G1875 R1876 Q2136 G2137 A2143 K2144 | G1875-S2140 PolarHBondContact O-OG 3.26Å; G1875-S2140 VanDerWaalsContact O-OG 3.06Å; R1876-S2140 VanDerWaalsContact CA-OG 3.27Å; R1876-S2140 WeakPolarHBondContact CA-OG 3.16Å; R1876-S2140 PolarHBondContact N-OG 3.44Å; Q2136-S2140 PolarHBondContact O-N 3.18Å; G2137-S2140 PolarHBondContact O-N 3.1Å; G2137-S2140 VanDerWaalsContact O-N 3.1Å; S2140-A2143 PolarHBondContact O-N 2.98Å; S2140-K2144 WeakPolarHBondContact O-CG 3.36Å; S2140-K2144 PolarHBondContact O-N 3.39Å |
| 2141 | E | 91.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 10.9 Ų | 10.9 | 3% | 0.028 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 173.8 | -71.6 | 171.5 | 171.8 | 0 | 0 | 110.7 | T2082 N2084 H2086 G2137 S2138 A2143 K2144 I2145 | T2082-E2141 VanDerWaalsContact CB-OE1 3.25Å; T2082-E2141 WeakPolarHBondContact CB-OE1 3.37Å; T2082-E2141 VanDerWaalsContact OG1-CD 3.3Å; T2082-E2141 PolarHBondContact OG1-OE1 3.02Å; T2082-E2141 PolarHBondContact OG1-OE2 2.93Å; N2084-E2141 WeakPolarHBondContact CB-OE2 3.32Å; N2084-E2141 PolarHBondContact N-OE2 3.47Å; N2084-E2141 PolarHBondContact ND2-OE2 3.25Å; H2086-E2141 VanDerWaalsContact CB-OE1 3.29Å; H2086-E2141 WeakPolarHBondContact CB-OE1 3.33Å; G2137-E2141 WeakPolarHBondContact O-CG 3.25Å; G2137-E2141 PolarHBondContact O-N 2.88Å; S2138-E2141 PolarHBondContact O-N 3.48Å; E2141-A2143 PolarHBondContact O-N 3.35Å; E2141-K2144 PolarHBondContact O-N 3.48Å; E2141-I2145 VanDerWaalsContact O-CG1 3.23Å; E2141-I2145 WeakPolarHBondContact O-CG1 3.5Å; E2141-I2145 PolarHBondContact O-N 3.24Å |
| 2142 | I | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.3 | -70.3 | 163.5 | 0 | 0 | 0 | 111.3 | F1954 L1957 L1961 L2083 S2138 A2139 I2145 A2146 T2197 I2203 L2207 | F1954-I2142 HydrophobicContact CE2-CG2 4.23Å; F1954-I2142 HydrophobicContact CZ-CG2 4.06Å; L1957-I2142 HydrophobicContact CD1-CD1 4.02Å; L1957-I2142 HydrophobicContact CD1-CG2 3.97Å; L1957-I2142 HydrophobicContact CD2-CB 4.35Å; L1957-I2142 HydrophobicContact CD2-CG2 4.1Å; L1961-I2142 HydrophobicContact CD1-CD1 4.16Å; L1961-I2142 HydrophobicContact CD2-CD1 3.8Å; L1961-I2142 HydrophobicContact CG-CD1 4.26Å; L2083-I2142 HydrophobicContact CD2-CD1 4.19Å; L2083-I2142 HydrophobicContact CD2-CG1 4.41Å; S2138-I2142 WeakPolarHBondContact O-CD1 3.27Å; S2138-I2142 VanDerWaalsContact O-CG1 3.29Å; S2138-I2142 WeakPolarHBondContact O-CG1 3.36Å; S2138-I2142 PolarHBondContact O-N 3.05Å; A2139-I2142 PolarHBondContact O-N 2.95Å; I2142-I2145 PolarHBondContact O-N 3.3Å; I2142-A2146 WeakPolarHBondContact O-CB 3.49Å; I2142-A2146 PolarHBondContact O-N 3.31Å; I2142-T2197 HydrophobicContact CG2-CG2 3.97Å; I2142-I2203 HydrophobicContact CD1-CD1 3.4Å; I2142-I2203 VanDerWaalsContact CD1-CD1 3.4Å; I2142-I2203 HydrophobicContact CG1-CD1 4.15Å; I2142-L2207 HydrophobicContact CD1-CD1 4.44Å; I2142-L2207 HydrophobicContact CG2-CD1 4.05Å |
| 2143 | A | 92.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 2% | 0.017 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2139 S2140 E2141 A2146 M2147 H2170 | A2139-A2143 PolarHBondContact O-N 3.33Å; S2140-A2143 PolarHBondContact O-N 2.98Å; E2141-A2143 PolarHBondContact O-N 3.35Å; A2143-A2146 PolarHBondContact O-N 3.1Å; A2143-M2147 WeakPolarHBondContact O-CB 3.07Å; A2143-M2147 VanDerWaalsContact O-CG 3.25Å; A2143-M2147 WeakPolarHBondContact O-CG 3.4Å; A2143-M2147 PolarHBondContact O-N 3.3Å; A2143-H2170 WeakPolarHBondContact CB-O 3.35Å |
| 2144 | K | 92.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 175.5 | -71.5 | 178 | -173 | -178.6 | 0 | 112.5 | I1710 E1711 C1714 G1875 I1877 S2140 E2141 A2146 M2147 L2148 | I1710-K2144 HydrophobicContact CG2-CB 3.63Å; I1710-K2144 HydrophobicContact CG2-CD 3.89Å; I1710-K2144 HydrophobicContact CG2-CG 4.39Å; E1711-K2144 WeakPolarHBondContact OE1-CD 3.35Å; E1711-K2144 IonicContact OE1-NZ 3.06Å; E1711-K2144 PolarHBondContact OE1-NZ 3.38Å; E1711-K2144 IonicContact OE2-NZ 3.58Å; E1711-K2144 PolarHBondContact OE2-NZ 2.89Å; C1714-K2144 HydrophobicContact CB-CD 4.48Å; G1875-K2144 WeakPolarHBondContact O-CE 3.49Å; G1875-K2144 PolarHBondContact O-NZ 3.39Å; I1877-K2144 HydrophobicContact CD1-CG 4.08Å; I1877-K2144 HydrophobicContact CG1-CG 4.47Å; S2140-K2144 WeakPolarHBondContact O-CG 3.36Å; S2140-K2144 PolarHBondContact O-N 3.39Å; E2141-K2144 PolarHBondContact O-N 3.48Å; K2144-A2146 VanDerWaalsContact C-N 3.3Å; K2144-A2146 PolarHBondContact O-N 2.94Å; K2144-M2147 WeakPolarHBondContact O-CB 3.31Å; K2144-M2147 PolarHBondContact O-N 3.48Å; K2144-L2148 VanDerWaalsContact O-CG 3.28Å; K2144-L2148 WeakPolarHBondContact O-CG 3.48Å; K2144-L2148 PolarHBondContact O-N 3.38Å |
| 2145 | I | 92.4 | Very high | 91.9 | Very high | 29 Ų | 29 | 20.9 Ų | 20.9 | 15% | 0.149 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.9 | -39.4 | 177.5 | -62.7 | 161.8 | 0 | 0 | 0 | 110.4 | I1710 E2141 I2142 L2148 A2149 T2197 C2201 | I1710-I2145 HydrophobicContact CD1-CD1 3.67Å; I1710-I2145 HydrophobicContact CD1-CG1 3.64Å; I1710-I2145 HydrophobicContact CG1-CG1 4.11Å; E2141-I2145 VanDerWaalsContact O-CG1 3.23Å; E2141-I2145 WeakPolarHBondContact O-CG1 3.5Å; E2141-I2145 PolarHBondContact O-N 3.24Å; I2142-I2145 PolarHBondContact O-N 3.3Å; I2145-L2148 PolarHBondContact O-N 2.89Å; I2145-A2149 VanDerWaalsContact O-CB 3.26Å; I2145-A2149 WeakPolarHBondContact O-CB 3.41Å; I2145-A2149 PolarHBondContact O-N 3.38Å; I2145-T2197 HydrophobicContact CB-CG2 4.04Å; I2145-T2197 HydrophobicContact CG2-CG2 3.78Å; I2145-C2201 VanDerWaalsContact CD1-SG 3.51Å |
| 2146 | A | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.1 | -45.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1954 I2142 A2143 K2144 L2148 A2149 V2150 M2194 T2197 | F1954-A2146 HydrophobicContact CE2-CB 3.79Å; F1954-A2146 HydrophobicContact CZ-CB 3.79Å; I2142-A2146 WeakPolarHBondContact O-CB 3.49Å; I2142-A2146 PolarHBondContact O-N 3.31Å; A2143-A2146 PolarHBondContact O-N 3.1Å; K2144-A2146 VanDerWaalsContact C-N 3.3Å; K2144-A2146 PolarHBondContact O-N 2.94Å; A2146-L2148 VanDerWaalsContact C-N 3.33Å; A2146-L2148 PolarHBondContact O-N 3.38Å; A2146-A2149 PolarHBondContact O-N 2.96Å; A2146-V2150 VanDerWaalsContact O-CB 3.31Å; A2146-V2150 WeakPolarHBondContact O-CB 3.27Å; A2146-V2150 WeakPolarHBondContact O-CG2 3.32Å; A2146-V2150 PolarHBondContact O-N 3.3Å; A2146-M2194 HydrophobicContact CB-CG 4.26Å; A2146-T2197 HydrophobicContact CB-CG2 4.38Å |
| 2147 | M | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.1 | -47.2 | 173.8 | -74.3 | 166.3 | 57.1 | 0 | 0 | 111.7 | L1717 L1718 I1877 A2143 K2144 D2151 L2165 H2168 L2173 | L1717-M2147 HydrophobicContact CD2-CB 3.75Å; L1717-M2147 HydrophobicContact CD2-CE 4.13Å; L1717-M2147 WeakPolarHBondContact CD2-O 3.46Å; L1717-M2147 HydrophobicContact CG-CE 4.47Å; L1718-M2147 HydrophobicContact CD2-CE 4.15Å; I1877-M2147 HydrophobicContact CD1-CE 3.79Å; I1877-M2147 HydrophobicContact CD1-SD 3.75Å; A2143-M2147 WeakPolarHBondContact O-CB 3.07Å; A2143-M2147 VanDerWaalsContact O-CG 3.25Å; A2143-M2147 WeakPolarHBondContact O-CG 3.4Å; A2143-M2147 PolarHBondContact O-N 3.3Å; K2144-M2147 WeakPolarHBondContact O-CB 3.31Å; K2144-M2147 PolarHBondContact O-N 3.48Å; M2147-D2151 WeakPolarHBondContact O-CB 3.46Å; M2147-D2151 PolarHBondContact O-N 3.3Å; M2147-L2165 HydrophobicContact CE-CD2 3.86Å; M2147-L2165 HydrophobicContact CG-CD2 4.21Å; M2147-H2168 PolarHBondContact SD-CD2 3.24Å; M2147-L2173 HydrophobicContact CG-CD1 3.75Å; M2147-L2173 HydrophobicContact CG-CD2 3.56Å; M2147-L2173 HydrophobicContact CG-CG 4.34Å; M2147-L2173 HydrophobicContact SD-CD2 4.15Å |
| 2148 | L | 92.8 | Very high | 91.8 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 15% | 0.152 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.4 | -46.2 | -179 | -68.5 | 170.1 | 0 | 0 | 0 | 112.5 | P1713 L1717 K2144 I2145 A2146 V2150 D2151 E2152 | P1713-L2148 HydrophobicContact CB-CD1 3.9Å; P1713-L2148 HydrophobicContact CB-CD2 3.61Å; P1713-L2148 HydrophobicContact CB-CG 4.41Å; L1717-L2148 HydrophobicContact CB-CD2 4.41Å; L1717-L2148 HydrophobicContact CD2-CD2 4.29Å; K2144-L2148 VanDerWaalsContact O-CG 3.28Å; K2144-L2148 WeakPolarHBondContact O-CG 3.48Å; K2144-L2148 PolarHBondContact O-N 3.38Å; I2145-L2148 PolarHBondContact O-N 2.89Å; A2146-L2148 VanDerWaalsContact C-N 3.33Å; A2146-L2148 PolarHBondContact O-N 3.38Å; L2148-V2150 VanDerWaalsContact C-N 3.34Å; L2148-V2150 PolarHBondContact O-N 2.61Å; L2148-D2151 PolarHBondContact O-N 2.77Å; L2148-E2152 WeakPolarHBondContact O-CB 3.5Å; L2148-E2152 PolarHBondContact O-N 2.68Å |
| 2149 | A | 93.3 | Very high | 91.7 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 17% | 0.174 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I2145 A2146 A2153 T2193 | I2145-A2149 VanDerWaalsContact O-CB 3.26Å; I2145-A2149 WeakPolarHBondContact O-CB 3.41Å; I2145-A2149 PolarHBondContact O-N 3.38Å; A2146-A2149 PolarHBondContact O-N 2.96Å; A2149-A2153 WeakPolarHBondContact O-CB 3.29Å; A2149-A2153 PolarHBondContact O-N 3.37Å; A2149-T2193 VanDerWaalsContact C-CG2 3.48Å; A2149-T2193 HydrophobicContact CB-CG2 3.71Å; A2149-T2193 WeakPolarHBondContact O-CG2 3.43Å |
| 2150 | V | 94.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68 | -41.4 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | A2146 L2148 A2153 I2154 Y2175 I2190 T2193 M2194 | A2146-V2150 VanDerWaalsContact O-CB 3.31Å; A2146-V2150 WeakPolarHBondContact O-CB 3.27Å; A2146-V2150 WeakPolarHBondContact O-CG2 3.32Å; A2146-V2150 PolarHBondContact O-N 3.3Å; L2148-V2150 VanDerWaalsContact C-N 3.34Å; L2148-V2150 PolarHBondContact O-N 2.61Å; V2150-A2153 PolarHBondContact O-N 2.91Å; V2150-I2154 HydrophobicContact CG1-CD1 3.65Å; V2150-I2154 HydrophobicContact CG1-CG1 4.33Å; V2150-I2154 WeakPolarHBondContact O-CB 3.26Å; V2150-I2154 WeakPolarHBondContact O-CD1 3.39Å; V2150-I2154 VanDerWaalsContact O-CG1 3.23Å; V2150-I2154 WeakPolarHBondContact O-CG1 3.49Å; V2150-I2154 PolarHBondContact O-N 2.95Å; V2150-Y2175 HydrophobicContact CG1-CE1 3.96Å; V2150-Y2175 HydrophobicContact CG1-CE2 4.32Å; V2150-Y2175 WeakPolarHBondContact CG1-OH 3.49Å; V2150-I2190 HydrophobicContact CG1-CG1 3.82Å; V2150-T2193 HydrophobicContact CB-CG2 4.48Å; V2150-T2193 HydrophobicContact CG2-CG2 3.82Å; V2150-M2194 HydrophobicContact CG2-CG 3.63Å |
| 2151 | D | 92 | Very high | 91.5 | Very high | 30 Ų | 30 | 41 Ų | 41 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.9 | -179 | 68.5 | 0 | 0 | 0 | 111.9 | L1717 R1720 M2147 L2148 I2154 H2155 | L1717-D2151 HydrophobicContact CD1-CB 4.15Å; L1717-D2151 HydrophobicContact CD2-CB 4.04Å; R1720-D2151 IonicContact CZ-OD1 3.62Å; R1720-D2151 IonicContact CZ-OD2 2.9Å; R1720-D2151 IonicContact NH1-OD1 3.44Å; R1720-D2151 PolarHBondContact NH1-OD1 3.31Å; R1720-D2151 IonicContact NH1-OD2 2.65Å; R1720-D2151 PolarHBondContact NH1-OD2 2.72Å; R1720-D2151 VanDerWaalsContact NH1-OD2 3.12Å; R1720-D2151 IonicContact NH2-OD1 3.27Å; R1720-D2151 IonicContact NH2-OD2 3.38Å; R1720-D2151 PolarHBondContact NH2-OD2 3.02Å; M2147-D2151 WeakPolarHBondContact O-CB 3.46Å; M2147-D2151 PolarHBondContact O-N 3.3Å; L2148-D2151 PolarHBondContact O-N 2.77Å; D2151-I2154 PolarHBondContact O-N 2.83Å; D2151-H2155 PolarHBondContact O-N 2.77Å; D2151-H2155 PolarHBondContact O-ND1 2.83Å; D2151-H2155 IonicContact OD1-CE1 2.93Å; D2151-H2155 PolarHBondContact OD1-CE1 2.83Å; D2151-H2155 IonicContact OD1-ND1 3.4Å; D2151-H2155 PolarHBondContact OD1-ND1 2.99Å; D2151-H2155 IonicContact OD2-ND1 3.55Å |
| 2152 | E | 90.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 44.1 Ų | 44.1 | 54% | 0.542 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 176.3 | -175.4 | 161.3 | -117.3 | 0 | 0 | 112.1 | L2148 H2155 S2156 | L2148-E2152 WeakPolarHBondContact O-CB 3.5Å; L2148-E2152 PolarHBondContact O-N 2.68Å; E2152-H2155 PolarHBondContact O-N 3.08Å; E2152-S2156 VanDerWaalsContact O-CB 3.25Å; E2152-S2156 WeakPolarHBondContact O-CB 3.45Å; E2152-S2156 PolarHBondContact O-N 2.9Å; E2152-S2156 PolarHBondContact O-OG 2.85Å |
| 2153 | A | 92.4 | Very high | 91.6 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 21% | 0.207 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A2149 V2150 S2156 S2157 L2189 T2193 | A2149-A2153 WeakPolarHBondContact O-CB 3.29Å; A2149-A2153 PolarHBondContact O-N 3.37Å; V2150-A2153 PolarHBondContact O-N 2.91Å; A2153-S2156 PolarHBondContact O-N 2.9Å; A2153-S2157 WeakPolarHBondContact O-CB 3.36Å; A2153-S2157 PolarHBondContact O-N 3.04Å; A2153-S2157 VanDerWaalsContact O-N 3.15Å; A2153-L2189 HydrophobicContact CB-CD1 4.2Å; A2153-L2189 HydrophobicContact CB-CD2 4.38Å; A2153-L2189 HydrophobicContact CB-CG 4.31Å; A2153-T2193 HydrophobicContact CB-CG2 4.18Å |
| 2154 | I | 92.3 | Very high | 91.6 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.087 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -50.7 | 175.4 | -73.5 | 163.7 | 0 | 0 | 0 | 110.1 | V2150 D2151 S2156 S2157 A2163 Y2175 F2186 L2189 | V2150-I2154 HydrophobicContact CG1-CD1 3.65Å; V2150-I2154 HydrophobicContact CG1-CG1 4.33Å; V2150-I2154 WeakPolarHBondContact O-CB 3.26Å; V2150-I2154 WeakPolarHBondContact O-CD1 3.39Å; V2150-I2154 VanDerWaalsContact O-CG1 3.23Å; V2150-I2154 WeakPolarHBondContact O-CG1 3.49Å; V2150-I2154 PolarHBondContact O-N 2.95Å; D2151-I2154 PolarHBondContact O-N 2.83Å; I2154-S2156 PolarHBondContact O-N 3.35Å; I2154-S2157 WeakPolarHBondContact O-CB 3.35Å; I2154-S2157 PolarHBondContact O-N 2.91Å; I2154-S2157 VanDerWaalsContact O-N 3.08Å; I2154-S2157 PolarHBondContact O-OG 2.85Å; I2154-A2163 HydrophobicContact CD1-CB 3.89Å; I2154-A2163 HydrophobicContact CG1-CB 4.39Å; I2154-A2163 HydrophobicContact CG2-CB 4.38Å; I2154-Y2175 HydrophobicContact CD1-CD1 4.18Å; I2154-Y2175 HydrophobicContact CD1-CE1 3.87Å; I2154-F2186 HydrophobicContact CG1-CD1 4.33Å; I2154-F2186 HydrophobicContact CG1-CE1 4.49Å; I2154-F2186 HydrophobicContact CG2-CE1 4.16Å; I2154-L2189 HydrophobicContact CG1-CD2 4.33Å |
| 2155 | H | 86.7 | Confident | 91.7 | Very high | 117 Ų | 117 | 47.3 Ų | 47.3 | 54% | 0.542 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.5 | -24.3 | 180 | -74.1 | 79.8 | 0 | 0 | 0 | 113.5 | R1720 D2151 E2152 | R1720-H2155 PolarHBondContact NH1-CE1 3.12Å; R1720-H2155 VanDerWaalsContact NH1-CE1 3.31Å; D2151-H2155 PolarHBondContact O-N 2.77Å; D2151-H2155 PolarHBondContact O-ND1 2.83Å; D2151-H2155 IonicContact OD1-CE1 2.93Å; D2151-H2155 PolarHBondContact OD1-CE1 2.83Å; D2151-H2155 IonicContact OD1-ND1 3.4Å; D2151-H2155 PolarHBondContact OD1-ND1 2.99Å; D2151-H2155 IonicContact OD2-ND1 3.55Å; E2152-H2155 PolarHBondContact O-N 3.08Å |
| 2156 | S | 88.3 | Confident | 91.6 | Very high | 95 Ų | 95 | 46 Ų | 46 | 66% | 0.664 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -2.8 | 175.8 | -54.1 | 0 | 0 | 0 | 0 | 113.6 | E2152 A2153 I2154 | E2152-S2156 VanDerWaalsContact O-CB 3.25Å; E2152-S2156 WeakPolarHBondContact O-CB 3.45Å; E2152-S2156 PolarHBondContact O-N 2.9Å; E2152-S2156 PolarHBondContact O-OG 2.85Å; A2153-S2156 PolarHBondContact O-N 2.9Å; I2154-S2156 PolarHBondContact O-N 3.35Å |
| 2157 | S | 89.6 | Confident | 91.6 | Very high | 31 Ų | 31 | 46 Ų | 46 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | trans | -93.2 | 140.9 | -175.8 | 77.4 | 0 | 0 | 0 | 0 | 112.6 | A2153 I2154 I2159 | A2153-S2157 WeakPolarHBondContact O-CB 3.36Å; A2153-S2157 PolarHBondContact O-N 3.04Å; A2153-S2157 VanDerWaalsContact O-N 3.15Å; I2154-S2157 WeakPolarHBondContact O-CB 3.35Å; I2154-S2157 PolarHBondContact O-N 2.91Å; I2154-S2157 VanDerWaalsContact O-N 3.08Å; I2154-S2157 PolarHBondContact O-OG 2.85Å; S2157-I2159 PolarHBondContact O-N 2.96Å | ||
| 2158 | N | 89.8 | Confident | 91.4 | Very high | 175 Ų | 175 | 46 Ų | 46 | 94% | 0.936 | 27% | 0.265 | S | S | * | . | trans | -87.2 | 31.6 | 170.3 | -71.8 | -32.4 | 0 | 0 | 0 | 112 | ||||
| 2159 | I | 91.6 | Very high | 91.2 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 16% | 0.159 | 27% | 0.266 | C | S | . | . | trans | -78.8 | 127.5 | 177.1 | -61.3 | 169.9 | 0 | 0 | 0 | 108 | S2157 G2161 Q2185 F2186 L2189 | S2157-I2159 PolarHBondContact O-N 2.96Å; I2159-G2161 PolarHBondContact O-N 3.08Å; I2159-Q2185 HydrophobicContact CD1-CB 3.96Å; I2159-Q2185 HydrophobicContact CG1-CB 4.22Å; I2159-Q2185 HydrophobicContact CG2-CB 4.01Å; I2159-F2186 HydrophobicContact CB-CD1 4.38Å; I2159-F2186 HydrophobicContact CB-CE1 3.8Å; I2159-F2186 HydrophobicContact CB-CE2 4.17Å; I2159-F2186 HydrophobicContact CB-CZ 3.69Å; I2159-F2186 HydrophobicContact CD1-CD1 3.84Å; I2159-F2186 HydrophobicContact CD1-CE1 3.99Å; I2159-F2186 HydrophobicContact CD1-CG 4.37Å; I2159-F2186 HydrophobicContact CG1-CE1 4.49Å; I2159-F2186 HydrophobicContact CG2-CD1 4.16Å; I2159-F2186 HydrophobicContact CG2-CD2 3.7Å; I2159-F2186 HydrophobicContact CG2-CE1 3.84Å; I2159-F2186 HydrophobicContact CG2-CE2 3.37Å; I2159-F2186 HydrophobicContact CG2-CG 4.1Å; I2159-F2186 HydrophobicContact CG2-CZ 3.44Å; I2159-F2186 VanDerWaalsContact CG2-CZ 3.44Å; I2159-L2189 HydrophobicContact CD1-CB 4.5Å; I2159-L2189 HydrophobicContact CD1-CD2 3.89Å | ||
| 2160 | P | 87.5 | Confident | 90.9 | Very high | 82 Ų | 82 | 48.9 Ų | 48.9 | 53% | 0.532 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -69.1 | 132.5 | -177 | 26.6 | -32.9 | 0 | 0 | 0 | 111.6 | S2182 | P2160-S2182 VanDerWaalsContact O-CB 3.28Å; P2160-S2182 WeakPolarHBondContact O-CB 3.33Å; P2160-S2182 PolarHBondContact O-OG 3.01Å |
| 2161 | G | 91 | Very high | 90.5 | Very high | 53 Ų | 53 | 51.1 Ų | 51.1 | 55% | 0.546 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 105.4 | -149.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I2159 F2178 | I2159-G2161 PolarHBondContact O-N 3.08Å; G2161-F2178 CarbonylContact C-O 3.57Å; G2161-F2178 VanDerWaalsContact CA-O 3.23Å; G2161-F2178 WeakPolarHBondContact CA-O 3.42Å |
| 2162 | Y | 92.5 | Very high | 90.6 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 28% | 0.282 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 155.8 | 175.8 | 66.1 | -95.4 | 0 | 0 | 0 | 112.3 | H2164 E2176 V2177 F2178 | Y2162-H2164 HydrophobicContact CD2-CB 4.32Å; Y2162-H2164 AromaticContact CD2-CD2 3.54Å; Y2162-H2164 AromaticContact CD2-CG 3.71Å; Y2162-H2164 AromaticContact CD2-NE2 3.76Å; Y2162-H2164 AromaticContact CE2-CD2 3.85Å; Y2162-E2176 HydrophobicContact CE2-CG 4.25Å; Y2162-V2177 WeakPolarHBondContact O-CA 3.38Å; Y2162-F2178 HydrophobicContact CD1-CB 4.32Å; Y2162-F2178 HydrophobicContact CD1-CD1 4.48Å; Y2162-F2178 HydrophobicContact CE1-CB 3.71Å; Y2162-F2178 AromaticContact CE1-CD1 3.88Å; Y2162-F2178 HydrophobicContact CE1-CD1 3.88Å; Y2162-F2178 HydrophobicContact CE1-CG 4.13Å; Y2162-F2178 HydrophobicContact CE2-CB 4.19Å; Y2162-F2178 PolarHBondContact N-O 3.43Å; Y2162-F2178 PolarHBondContact O-N 3.2Å |
| 2163 | A | 94 | Very high | 90.8 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | I2154 E2176 V2177 F2186 | I2154-A2163 HydrophobicContact CD1-CB 3.89Å; I2154-A2163 HydrophobicContact CG1-CB 4.39Å; I2154-A2163 HydrophobicContact CG2-CB 4.38Å; A2163-E2176 CarbonylContact C-O 3.58Å; A2163-E2176 WeakPolarHBondContact CA-O 3.47Å; A2163-V2177 HydrophobicContact CB-CG2 3.85Å; A2163-F2186 HydrophobicContact CB-CB 4.28Å; A2163-F2186 HydrophobicContact CB-CD1 3.68Å; A2163-F2186 HydrophobicContact CB-CD2 4.19Å; A2163-F2186 HydrophobicContact CB-CE1 3.97Å; A2163-F2186 HydrophobicContact CB-CE2 4.42Å; A2163-F2186 HydrophobicContact CB-CG 3.81Å; A2163-F2186 HydrophobicContact CB-CZ 4.32Å |
| 2164 | H | 92.5 | Very high | 90.9 | Very high | 58 Ų | 58 | 43.9 Ų | 43.9 | 27% | 0.269 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.2 | -175 | -75.2 | -7.9 | 0 | 0 | 0 | 110.5 | Y2162 V2166 Y2175 E2176 | Y2162-H2164 HydrophobicContact CD2-CB 4.32Å; Y2162-H2164 AromaticContact CD2-CD2 3.54Å; Y2162-H2164 AromaticContact CD2-CG 3.71Å; Y2162-H2164 AromaticContact CD2-NE2 3.76Å; Y2162-H2164 AromaticContact CE2-CD2 3.85Å; H2164-V2166 PolarHBondContact O-N 2.89Å; H2164-Y2175 CarbonylContact O-C 3.52Å; H2164-Y2175 WeakPolarHBondContact O-CA 3.34Å; H2164-E2176 HydrophobicContact CB-CG 4Å; H2164-E2176 PolarHBondContact N-O 2.91Å; H2164-E2176 PolarHBondContact O-N 3.26Å |
| 2165 | L | 94.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 124.5 | 174 | -174.7 | 71.5 | 0 | 0 | 0 | 108.8 | L1717 M1721 M2147 L2173 Y2175 | L1717-L2165 HydrophobicContact CD2-CD2 4.5Å; M1721-L2165 HydrophobicContact CE-CD1 4.42Å; M1721-L2165 HydrophobicContact CE-CD2 3.77Å; M1721-L2165 HydrophobicContact CE-CG 3.66Å; M1721-L2165 HydrophobicContact CG-CG 4.47Å; M1721-L2165 WeakPolarHBondContact CG-O 3.48Å; M1721-L2165 HydrophobicContact SD-CD2 3.66Å; M1721-L2165 HydrophobicContact SD-CG 4Å; M2147-L2165 HydrophobicContact CE-CD2 3.86Å; M2147-L2165 HydrophobicContact CG-CD2 4.21Å; L2165-L2173 HydrophobicContact CD1-CB 4.02Å; L2165-L2173 HydrophobicContact CD1-CD2 4.45Å; L2165-Y2175 HydrophobicContact CB-CD1 4.04Å; L2165-Y2175 HydrophobicContact CB-CE1 3.72Å; L2165-Y2175 HydrophobicContact CD1-CD1 4.47Å; L2165-Y2175 HydrophobicContact CD1-CD2 4.19Å; L2165-Y2175 HydrophobicContact CD1-CE1 4.06Å; L2165-Y2175 HydrophobicContact CD1-CE2 3.76Å; L2165-Y2175 HydrophobicContact CG-CE1 4.47Å |
| 2166 | V | 91.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -29.8 | -180 | -60.8 | 0 | 0 | 0 | 0 | 113 | G1725 F1726 Y1868 H2164 I2174 E2176 | G1725-V2166 WeakPolarHBondContact O-CG1 3.39Å; F1726-V2166 HydrophobicContact CB-CB 4.32Å; F1726-V2166 HydrophobicContact CD1-CB 4.45Å; F1726-V2166 HydrophobicContact CD1-CG2 4.07Å; F1726-V2166 HydrophobicContact CD2-CB 4.41Å; F1726-V2166 HydrophobicContact CD2-CG2 3.99Å; F1726-V2166 HydrophobicContact CE1-CG2 4.12Å; F1726-V2166 HydrophobicContact CE2-CG2 4.04Å; F1726-V2166 HydrophobicContact CG-CB 4.16Å; F1726-V2166 HydrophobicContact CG-CG2 4Å; F1726-V2166 HydrophobicContact CZ-CG2 4.1Å; Y1868-V2166 PolarHBondContact OH-O 2.72Å; H2164-V2166 PolarHBondContact O-N 2.89Å; V2166-I2174 HydrophobicContact CG2-CG2 4.03Å; V2166-I2174 WeakPolarHBondContact CG2-O 3.43Å; V2166-I2174 PolarHBondContact N-O 3.4Å; V2166-E2176 HydrophobicContact CG1-CB 4.05Å; V2166-E2176 HydrophobicContact CG1-CG 3.67Å |
| 2167 | L | 91.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 141.8 | 174.9 | -176.3 | 58.9 | 0 | 0 | 0 | 112.2 | F1726 Y1868 L1884 Q1885 I2174 W2217 | F1726-L2167 HydrophobicContact CD1-CB 4.27Å; F1726-L2167 HydrophobicContact CE1-CB 4.18Å; F1726-L2167 HydrophobicContact CE1-CD2 4.23Å; Y1868-L2167 HydrophobicContact CE1-CD1 4.4Å; Y1868-L2167 WeakPolarHBondContact OH-CD1 3.06Å; L1884-L2167 HydrophobicContact CB-CD1 3.82Å; L1884-L2167 HydrophobicContact CB-CD2 4.25Å; L1884-L2167 HydrophobicContact CD1-CD1 4.46Å; Q1885-L2167 HydrophobicContact CG-CD1 4.33Å; L2167-I2174 HydrophobicContact CB-CB 4.22Å; L2167-I2174 HydrophobicContact CB-CD1 4.04Å; L2167-I2174 HydrophobicContact CD2-CD1 3.95Å; L2167-I2174 HydrophobicContact CG-CD1 4.11Å; L2167-I2174 PolarHBondContact N-O 3.09Å; L2167-I2174 PolarHBondContact O-N 3.4Å; L2167-W2217 HydrophobicContact CD2-CD2 4.49Å; L2167-W2217 HydrophobicContact CD2-CE3 4.48Å; L2167-W2217 HydrophobicContact CD2-CH2 3.37Å; L2167-W2217 HydrophobicContact CD2-CZ2 3.31Å; L2167-W2217 HydrophobicContact CD2-CZ3 3.97Å |
| 2168 | H | 91.8 | Very high | 92 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113.1 | 171.6 | 154.6 | -80.4 | 0 | 0 | 0 | 107.3 | M1721 Q1885 M2147 H2170 L2173 | M1721-H2168 HydrophobicContact CE-CB 3.79Å; Q1885-H2168 WeakPolarHBondContact CG-O 3.15Å; Q1885-H2168 PolarHBondContact NE2-ND1 3.4Å; Q1885-H2168 PolarHBondContact NE2-O 3.15Å; M2147-H2168 PolarHBondContact SD-CD2 3.24Å; H2168-H2170 PolarHBondContact NE2-O 2.73Å; H2168-L2173 HydrophobicContact CB-CD2 4.23Å |
| 2169 | E | 88.3 | Confident | 92.1 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 68 | 179.4 | -169.8 | 176.9 | -179.3 | 0 | 0 | 108.5 | R1938 D2171 E2172 W2217 | R1938-E2169 IonicContact CZ-OE1 3.84Å; R1938-E2169 IonicContact CZ-OE2 2.83Å; R1938-E2169 VanDerWaalsContact NH1-CD 3.34Å; R1938-E2169 IonicContact NH1-OE1 2.71Å; R1938-E2169 PolarHBondContact NH1-OE1 3.36Å; R1938-E2169 IonicContact NH1-OE2 3.62Å; R1938-E2169 PolarHBondContact NH1-OE2 3.2Å; R1938-E2169 IonicContact NH2-OE1 3.24Å; R1938-E2169 PolarHBondContact NH2-OE1 3.32Å; R1938-E2169 IonicContact NH2-OE2 2.7Å; E2169-D2171 PolarHBondContact O-N 3.31Å; E2169-E2172 HydrophobicContact CB-CB 4.3Å; E2169-E2172 PolarHBondContact N-O 3.05Å; E2169-E2172 PolarHBondContact O-N 3.31Å; E2169-W2217 WeakPolarHBondContact OE2-CZ2 3.27Å |
| 2170 | H | 86.1 | Confident | 92.1 | Very high | 70 Ų | 70 | 33 Ų | 33 | 32% | 0.324 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -89 | -175.1 | -59.8 | -31.1 | 0 | 0 | 0 | 114.5 | R1876 A2143 H2168 | R1876-H2170 PolarHBondContact NH1-NE2 3.24Å; A2143-H2170 WeakPolarHBondContact CB-O 3.35Å; H2168-H2170 PolarHBondContact NE2-O 2.73Å |
| 2171 | D | 86.9 | Confident | 92.2 | Very high | 47 Ų | 47 | 34 Ų | 34 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 5.4 | 179.3 | 60.5 | -26.7 | 0 | 0 | 0 | 113.4 | F1954 L1957 E2169 | F1954-D2171 HydrophobicContact CB-CB 4.19Å; F1954-D2171 HydrophobicContact CD2-CB 4.43Å; F1954-D2171 PolarHBondContact N-O 3.34Å; L1957-D2171 HydrophobicContact CB-CB 4.31Å; L1957-D2171 HydrophobicContact CD2-CB 3.99Å; E2169-D2171 PolarHBondContact O-N 3.31Å |
| 2172 | E | 92.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.5 | 166 | -179.6 | 164.4 | 174.8 | 0 | 0 | 111.8 | S1951 G1952 D1953 E2169 I2174 R2212 | S1951-E2172 VanDerWaalsContact CB-OE1 3.3Å; S1951-E2172 WeakPolarHBondContact CB-OE1 3.45Å; S1951-E2172 VanDerWaalsContact OG-CD 3.26Å; S1951-E2172 PolarHBondContact OG-OE1 3.26Å; G1952-E2172 CarbonylContact O-C 3.55Å; G1952-E2172 WeakPolarHBondContact O-CA 3.38Å; D1953-E2172 HydrophobicContact CB-CB 4.23Å; D1953-E2172 HydrophobicContact CB-CG 4.16Å; E2169-E2172 HydrophobicContact CB-CB 4.3Å; E2169-E2172 PolarHBondContact N-O 3.05Å; E2169-E2172 PolarHBondContact O-N 3.31Å; E2172-I2174 HydrophobicContact CG-CG1 4.28Å; E2172-R2212 IonicContact OE1-CZ 3.42Å; E2172-R2212 IonicContact OE1-NH1 3.45Å; E2172-R2212 PolarHBondContact OE1-NH1 2.91Å; E2172-R2212 IonicContact OE2-CZ 2.73Å; E2172-R2212 IonicContact OE2-NH1 3.8Å; E2172-R2212 PolarHBondContact OE2-NH1 2.82Å; E2172-R2212 IonicContact OE2-NH2 2.59Å; E2172-R2212 PolarHBondContact OE2-NH2 2.81Å |
| 2173 | L | 94.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.3 | 178.3 | -58 | -176.7 | 0 | 0 | 0 | 110.4 | S1951 G1952 M2147 L2165 H2168 Y2175 M2194 | S1951-L2173 CarbonylContact C-O 3.41Å; S1951-L2173 WeakPolarHBondContact CA-O 3.49Å; G1952-L2173 PolarHBondContact N-O 3.14Å; G1952-L2173 PolarHBondContact O-N 3.16Å; M2147-L2173 HydrophobicContact CG-CD1 3.75Å; M2147-L2173 HydrophobicContact CG-CD2 3.56Å; M2147-L2173 HydrophobicContact CG-CG 4.34Å; M2147-L2173 HydrophobicContact SD-CD2 4.15Å; L2165-L2173 HydrophobicContact CD1-CB 4.02Å; L2165-L2173 HydrophobicContact CD1-CD2 4.45Å; H2168-L2173 HydrophobicContact CB-CD2 4.23Å; L2173-Y2175 HydrophobicContact CB-CE2 3.75Å; L2173-M2194 HydrophobicContact CD1-CE 3.88Å; L2173-M2194 HydrophobicContact CD1-SD 4.1Å; L2173-M2194 HydrophobicContact CG-CE 4.09Å |
| 2174 | I | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.8 | -173.7 | -59.7 | 154.6 | 0 | 0 | 0 | 110 | F1726 I1950 V2166 L2167 E2172 W2217 | F1726-I2174 HydrophobicContact CZ-CG2 4.43Å; I1950-I2174 WeakPolarHBondContact O-CA 3.38Å; V2166-I2174 HydrophobicContact CG2-CG2 4.03Å; V2166-I2174 WeakPolarHBondContact CG2-O 3.43Å; V2166-I2174 PolarHBondContact N-O 3.4Å; L2167-I2174 HydrophobicContact CB-CB 4.22Å; L2167-I2174 HydrophobicContact CB-CD1 4.04Å; L2167-I2174 HydrophobicContact CD2-CD1 3.95Å; L2167-I2174 HydrophobicContact CG-CD1 4.11Å; L2167-I2174 PolarHBondContact N-O 3.09Å; L2167-I2174 PolarHBondContact O-N 3.4Å; E2172-I2174 HydrophobicContact CG-CG1 4.28Å; I2174-W2217 HydrophobicContact CD1-CZ2 4.27Å; I2174-W2217 VanDerWaalsContact CD1-NE1 3.27Å |
| 2175 | Y | 96.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.3 | -179.6 | -65.2 | -100.8 | 0 | 0 | 0 | 110.7 | L1949 I1950 V2150 I2154 H2164 L2165 L2173 I2190 | L1949-Y2175 CarbonylContact C-O 3.59Å; L1949-Y2175 WeakPolarHBondContact CA-O 3.43Å; I1950-Y2175 PolarHBondContact N-O 3.3Å; I1950-Y2175 PolarHBondContact O-N 3.06Å; V2150-Y2175 HydrophobicContact CG1-CE1 3.96Å; V2150-Y2175 HydrophobicContact CG1-CE2 4.32Å; V2150-Y2175 WeakPolarHBondContact CG1-OH 3.49Å; I2154-Y2175 HydrophobicContact CD1-CD1 4.18Å; I2154-Y2175 HydrophobicContact CD1-CE1 3.87Å; H2164-Y2175 CarbonylContact O-C 3.52Å; H2164-Y2175 WeakPolarHBondContact O-CA 3.34Å; L2165-Y2175 HydrophobicContact CB-CD1 4.04Å; L2165-Y2175 HydrophobicContact CB-CE1 3.72Å; L2165-Y2175 HydrophobicContact CD1-CD1 4.47Å; L2165-Y2175 HydrophobicContact CD1-CD2 4.19Å; L2165-Y2175 HydrophobicContact CD1-CE1 4.06Å; L2165-Y2175 HydrophobicContact CD1-CE2 3.76Å; L2165-Y2175 HydrophobicContact CG-CE1 4.47Å; L2173-Y2175 HydrophobicContact CB-CE2 3.75Å; Y2175-I2190 HydrophobicContact CD1-CD1 4.5Å; Y2175-I2190 HydrophobicContact CD2-CD1 3.82Å; Y2175-I2190 HydrophobicContact CE2-CD1 4.23Å; Y2175-I2190 HydrophobicContact CE2-CG1 4.46Å; Y2175-I2190 HydrophobicContact CE2-CG2 4.4Å; Y2175-I2190 HydrophobicContact CG-CD1 4Å |
| 2176 | E | 95.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 139.2 | 157.4 | 71.6 | -177.8 | 157.6 | 0 | 0 | 109.5 | R1863 P1944 L1949 Y2162 A2163 H2164 V2166 | R1863-E2176 IonicContact CZ-OE1 3.52Å; R1863-E2176 IonicContact CZ-OE2 2.91Å; R1863-E2176 IonicContact NH1-OE1 3.69Å; R1863-E2176 PolarHBondContact NH1-OE1 3.37Å; R1863-E2176 IonicContact NH1-OE2 3.17Å; R1863-E2176 PolarHBondContact NH1-OE2 2.86Å; R1863-E2176 VanDerWaalsContact NH2-CD 3.27Å; R1863-E2176 IonicContact NH2-OE1 2.8Å; R1863-E2176 PolarHBondContact NH2-OE1 2.84Å; R1863-E2176 IonicContact NH2-OE2 3.44Å; R1863-E2176 PolarHBondContact NH2-OE2 3.4Å; P1944-E2176 WeakPolarHBondContact CD-OE2 3.24Å; L1949-E2176 HydrophobicContact CD2-CB 3.99Å; Y2162-E2176 HydrophobicContact CE2-CG 4.25Å; A2163-E2176 CarbonylContact C-O 3.58Å; A2163-E2176 WeakPolarHBondContact CA-O 3.47Å; H2164-E2176 HydrophobicContact CB-CG 4Å; H2164-E2176 PolarHBondContact N-O 2.91Å; H2164-E2176 PolarHBondContact O-N 3.26Å; V2166-E2176 HydrophobicContact CG1-CB 4.05Å; V2166-E2176 HydrophobicContact CG1-CG 3.67Å |
| 2177 | V | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.4 | -176.3 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | G1947 L1948 I1950 Y2162 A2163 A2183 F2186 | G1947-V2177 CarbonylContact C-O 3.56Å; G1947-V2177 WeakPolarHBondContact CA-O 3.3Å; L1948-V2177 PolarHBondContact N-O 2.94Å; L1948-V2177 PolarHBondContact O-N 2.94Å; I1950-V2177 HydrophobicContact CB-CG2 4.44Å; I1950-V2177 HydrophobicContact CD1-CB 4.37Å; I1950-V2177 HydrophobicContact CD1-CG2 3.72Å; I1950-V2177 HydrophobicContact CG1-CG2 3.86Å; Y2162-V2177 WeakPolarHBondContact O-CA 3.38Å; A2163-V2177 HydrophobicContact CB-CG2 3.85Å; V2177-A2183 HydrophobicContact CG1-CB 4.38Å; V2177-F2186 HydrophobicContact CG1-CB 4.24Å; V2177-F2186 HydrophobicContact CG1-CD2 3.46Å; V2177-F2186 VanDerWaalsContact CG1-CD2 3.46Å; V2177-F2186 HydrophobicContact CG1-CE2 4.16Å; V2177-F2186 HydrophobicContact CG1-CG 4.19Å; V2177-F2186 HydrophobicContact CG2-CB 4.48Å |
| 2178 | F | 93 | Very high | 92.3 | Very high | 78 Ų | 78 | 37.5 Ų | 37.5 | 34% | 0.342 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 136.4 | 179.1 | 179.1 | -87.8 | 0 | 0 | 0 | 111 | P1944 V1945 G1946 G2161 Y2162 | P1944-F2178 HydrophobicContact CG-CB 4.36Å; V1945-F2178 WeakPolarHBondContact O-CE2 3.29Å; G1946-F2178 WeakPolarHBondContact O-CD2 3.49Å; G2161-F2178 CarbonylContact C-O 3.57Å; G2161-F2178 VanDerWaalsContact CA-O 3.23Å; G2161-F2178 WeakPolarHBondContact CA-O 3.42Å; Y2162-F2178 HydrophobicContact CD1-CB 4.32Å; Y2162-F2178 HydrophobicContact CD1-CD1 4.48Å; Y2162-F2178 HydrophobicContact CE1-CB 3.71Å; Y2162-F2178 AromaticContact CE1-CD1 3.88Å; Y2162-F2178 HydrophobicContact CE1-CD1 3.88Å; Y2162-F2178 HydrophobicContact CE1-CG 4.13Å; Y2162-F2178 HydrophobicContact CE2-CB 4.19Å; Y2162-F2178 PolarHBondContact N-O 3.43Å; Y2162-F2178 PolarHBondContact O-N 3.2Å |
| 2179 | P | 92.8 | Very high | 92.5 | Very high | 39 Ų | 39 | 39 Ų | 39 | 25% | 0.253 | 20% | 0.197 | S | C | . | . | S | Bend | cis | -75.6 | 163.1 | -4.2 | 32.9 | -36.2 | 0 | 0 | 0 | 112.6 | S2181 S2182 | P2179-S2181 WeakPolarHBondContact CG-OG 3.28Å; P2179-S2181 PolarHBondContact O-N 2.95Å; P2179-S2181 VanDerWaalsContact O-N 3.12Å; P2179-S2182 PolarHBondContact O-N 3.38Å |
| 2180 | E | 90.1 | Very high | 92.8 | Very high | 114 Ų | 114 | 37.1 Ų | 37.1 | 53% | 0.533 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -48 | -37.5 | 175.1 | 166.3 | 168.2 | -159.9 | 0 | 0 | 113.6 | G1946 L1948 S2182 A2183 | G1946-E2180 PolarHBondContact O-N 3.39Å; L1948-E2180 HydrophobicContact CD1-CB 4.39Å; L1948-E2180 HydrophobicContact CD1-CG 3.68Å; L1948-E2180 HydrophobicContact CG-CB 4.27Å; L1948-E2180 HydrophobicContact CG-CG 4.03Å; E2180-S2182 PolarHBondContact O-N 2.96Å; E2180-S2182 VanDerWaalsContact O-N 3.14Å; E2180-A2183 WeakPolarHBondContact O-CB 3.41Å; E2180-A2183 PolarHBondContact O-N 3.18Å |
| 2181 | S | 91.3 | Very high | 93.1 | Very high | 103 Ų | 103 | 36.4 Ų | 36.4 | 72% | 0.72 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -59.9 | -25 | 179.8 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | P2179 | P2179-S2181 WeakPolarHBondContact CG-OG 3.28Å; P2179-S2181 PolarHBondContact O-N 2.95Å; P2179-S2181 VanDerWaalsContact O-N 3.12Å |
| 2182 | S | 93.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -88.8 | -8.3 | 178.4 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | P2160 P2179 E2180 K2184 Q2185 F2186 | P2160-S2182 VanDerWaalsContact O-CB 3.28Å; P2160-S2182 WeakPolarHBondContact O-CB 3.33Å; P2160-S2182 PolarHBondContact O-OG 3.01Å; P2179-S2182 PolarHBondContact O-N 3.38Å; E2180-S2182 PolarHBondContact O-N 2.96Å; E2180-S2182 VanDerWaalsContact O-N 3.14Å; S2182-K2184 VanDerWaalsContact C-N 3.27Å; S2182-K2184 PolarHBondContact O-N 3.01Å; S2182-Q2185 PolarHBondContact O-N 3.29Å; S2182-Q2185 VanDerWaalsContact O-N 3.1Å; S2182-F2186 WeakPolarHBondContact O-CD2 3.46Å; S2182-F2186 PolarHBondContact O-N 2.87Å; S2182-F2186 VanDerWaalsContact O-N 3.08Å |
| 2183 | A | 91.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.9 | -35.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1948 I1950 V2177 E2180 G2187 I2213 W2225 | L1948-A2183 HydrophobicContact CD1-CB 4.29Å; I1950-A2183 HydrophobicContact CD1-CB 4.03Å; I1950-A2183 WeakPolarHBondContact CD1-O 3.48Å; V2177-A2183 HydrophobicContact CG1-CB 4.38Å; E2180-A2183 WeakPolarHBondContact O-CB 3.41Å; E2180-A2183 PolarHBondContact O-N 3.18Å; A2183-G2187 PolarHBondContact O-N 3.5Å; A2183-I2213 HydrophobicContact CB-CD1 3.84Å; A2183-W2225 WeakPolarHBondContact O-CZ3 3.47Å |
| 2184 | K | 92.2 | Very high | 93.3 | Very high | 90 Ų | 90 | 40.3 Ų | 40.3 | 39% | 0.391 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 175.2 | 178.8 | 163.8 | 174.4 | 161.1 | 0 | 112 | S2182 G2187 E2188 W2225 | S2182-K2184 VanDerWaalsContact C-N 3.27Å; S2182-K2184 PolarHBondContact O-N 3.01Å; K2184-G2187 PolarHBondContact O-N 3.44Å; K2184-E2188 WeakPolarHBondContact CE-OE1 3.41Å; K2184-E2188 HydrophobicContact CG-CG 4.49Å; K2184-E2188 IonicContact NZ-OE1 2.81Å; K2184-E2188 PolarHBondContact NZ-OE1 3.17Å; K2184-E2188 WeakPolarHBondContact O-CG 3.23Å; K2184-E2188 PolarHBondContact O-N 3.21Å; K2184-W2225 HydrophobicContact CB-CD2 4.41Å; K2184-W2225 HydrophobicContact CB-CE3 4.43Å; K2184-W2225 HydrophobicContact CB-CH2 4.28Å; K2184-W2225 HydrophobicContact CB-CZ2 4.28Å; K2184-W2225 HydrophobicContact CB-CZ3 4.39Å; K2184-W2225 HydrophobicContact CD-CD2 4.34Å; K2184-W2225 HydrophobicContact CD-CG 4.15Å; K2184-W2225 HydrophobicContact CG-CD2 3.97Å; K2184-W2225 HydrophobicContact CG-CE3 4.12Å; K2184-W2225 HydrophobicContact CG-CG 4.24Å |
| 2185 | Q | 92.6 | Very high | 93 | Very high | 99 Ų | 99 | 41.9 Ų | 41.9 | 46% | 0.463 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66 | -42.7 | -176.9 | -64.7 | 179.6 | -36.3 | 0 | 0 | 111.6 | I2159 S2182 L2189 | I2159-Q2185 HydrophobicContact CD1-CB 3.96Å; I2159-Q2185 HydrophobicContact CG1-CB 4.22Å; I2159-Q2185 HydrophobicContact CG2-CB 4.01Å; S2182-Q2185 PolarHBondContact O-N 3.29Å; S2182-Q2185 VanDerWaalsContact O-N 3.1Å; Q2185-L2189 WeakPolarHBondContact O-CB 3.41Å; Q2185-L2189 PolarHBondContact O-N 3.2Å; Q2185-L2189 VanDerWaalsContact O-N 3.08Å |
| 2186 | F | 95.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.8 | -77.8 | -60.2 | 0 | 0 | 0 | 112.5 | I1950 I2154 I2159 A2163 V2177 S2182 L2189 I2190 | I1950-F2186 HydrophobicContact CD1-CB 4.49Å; I2154-F2186 HydrophobicContact CG1-CD1 4.33Å; I2154-F2186 HydrophobicContact CG1-CE1 4.49Å; I2154-F2186 HydrophobicContact CG2-CE1 4.16Å; I2159-F2186 HydrophobicContact CB-CD1 4.38Å; I2159-F2186 HydrophobicContact CB-CE1 3.8Å; I2159-F2186 HydrophobicContact CB-CE2 4.17Å; I2159-F2186 HydrophobicContact CB-CZ 3.69Å; I2159-F2186 HydrophobicContact CD1-CD1 3.84Å; I2159-F2186 HydrophobicContact CD1-CE1 3.99Å; I2159-F2186 HydrophobicContact CD1-CG 4.37Å; I2159-F2186 HydrophobicContact CG1-CE1 4.49Å; I2159-F2186 HydrophobicContact CG2-CD1 4.16Å; I2159-F2186 HydrophobicContact CG2-CD2 3.7Å; I2159-F2186 HydrophobicContact CG2-CE1 3.84Å; I2159-F2186 HydrophobicContact CG2-CE2 3.37Å; I2159-F2186 HydrophobicContact CG2-CG 4.1Å; I2159-F2186 HydrophobicContact CG2-CZ 3.44Å; I2159-F2186 VanDerWaalsContact CG2-CZ 3.44Å; A2163-F2186 HydrophobicContact CB-CB 4.28Å; A2163-F2186 HydrophobicContact CB-CD1 3.68Å; A2163-F2186 HydrophobicContact CB-CD2 4.19Å; A2163-F2186 HydrophobicContact CB-CE1 3.97Å; A2163-F2186 HydrophobicContact CB-CE2 4.42Å; A2163-F2186 HydrophobicContact CB-CG 3.81Å; A2163-F2186 HydrophobicContact CB-CZ 4.32Å; V2177-F2186 HydrophobicContact CG1-CB 4.24Å; V2177-F2186 HydrophobicContact CG1-CD2 3.46Å; V2177-F2186 VanDerWaalsContact CG1-CD2 3.46Å; V2177-F2186 HydrophobicContact CG1-CE2 4.16Å; V2177-F2186 HydrophobicContact CG1-CG 4.19Å; V2177-F2186 HydrophobicContact CG2-CB 4.48Å; S2182-F2186 WeakPolarHBondContact O-CD2 3.46Å; S2182-F2186 PolarHBondContact O-N 2.87Å; S2182-F2186 VanDerWaalsContact O-N 3.08Å; F2186-L2189 WeakPolarHBondContact O-CB 3.49Å; F2186-L2189 PolarHBondContact O-N 3.21Å; F2186-I2190 WeakPolarHBondContact O-CB 3.39Å; F2186-I2190 WeakPolarHBondContact O-CD1 3.36Å; F2186-I2190 WeakPolarHBondContact O-CG1 3.4Å; F2186-I2190 PolarHBondContact O-N 3.3Å |
| 2187 | G | 92.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.3 | -40.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A2183 K2184 L2189 I2190 R2191 L2211 | A2183-G2187 PolarHBondContact O-N 3.5Å; K2184-G2187 PolarHBondContact O-N 3.44Å; G2187-L2189 VanDerWaalsContact C-N 3.32Å; G2187-L2189 PolarHBondContact O-N 3.41Å; G2187-I2190 PolarHBondContact O-N 2.98Å; G2187-R2191 WeakPolarHBondContact O-CB 3.14Å; G2187-R2191 PolarHBondContact O-N 3.26Å; G2187-L2211 VanDerWaalsContact O-CD1 3.28Å; G2187-L2211 WeakPolarHBondContact O-CD1 3.43Å |
| 2188 | E | 91.7 | Very high | 91.9 | Very high | 71 Ų | 71 | 44.2 Ų | 44.2 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.1 | -44.7 | 171.8 | -74.9 | 177.6 | 153.3 | 0 | 0 | 111.2 | K2184 R2191 Q2192 W2225 | K2184-E2188 WeakPolarHBondContact CE-OE1 3.41Å; K2184-E2188 HydrophobicContact CG-CG 4.49Å; K2184-E2188 IonicContact NZ-OE1 2.81Å; K2184-E2188 PolarHBondContact NZ-OE1 3.17Å; K2184-E2188 WeakPolarHBondContact O-CG 3.23Å; K2184-E2188 PolarHBondContact O-N 3.21Å; E2188-R2191 PolarHBondContact O-N 3.15Å; E2188-Q2192 VanDerWaalsContact O-CB 3.28Å; E2188-Q2192 WeakPolarHBondContact O-CB 3.45Å; E2188-Q2192 PolarHBondContact O-N 3.02Å; E2188-W2225 HydrophobicContact CG-CB 4.4Å |
| 2189 | L | 94.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 47.7 Ų | 47.7 | 18% | 0.183 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.8 | -175.7 | 65.6 | 0 | 0 | 0 | 112.5 | A2153 I2154 I2159 Q2185 F2186 G2187 T2193 | A2153-L2189 HydrophobicContact CB-CD1 4.2Å; A2153-L2189 HydrophobicContact CB-CD2 4.38Å; A2153-L2189 HydrophobicContact CB-CG 4.31Å; I2154-L2189 HydrophobicContact CG1-CD2 4.33Å; I2159-L2189 HydrophobicContact CD1-CB 4.5Å; I2159-L2189 HydrophobicContact CD1-CD2 3.89Å; Q2185-L2189 WeakPolarHBondContact O-CB 3.41Å; Q2185-L2189 PolarHBondContact O-N 3.2Å; Q2185-L2189 VanDerWaalsContact O-N 3.08Å; F2186-L2189 WeakPolarHBondContact O-CB 3.49Å; F2186-L2189 PolarHBondContact O-N 3.21Å; G2187-L2189 VanDerWaalsContact C-N 3.32Å; G2187-L2189 PolarHBondContact O-N 3.41Å; L2189-T2193 VanDerWaalsContact O-CB 3.24Å; L2189-T2193 WeakPolarHBondContact O-CB 3.29Å; L2189-T2193 PolarHBondContact O-N 2.95Å; L2189-T2193 PolarHBondContact O-OG1 3.39Å |
| 2190 | I | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -54.3 | 176.3 | -70.1 | 161.1 | 0 | 0 | 0 | 109.8 | I1950 V2150 Y2175 F2186 G2187 Q2192 T2193 M2194 L2211 | I1950-I2190 HydrophobicContact CG2-CD1 4.31Å; V2150-I2190 HydrophobicContact CG1-CG1 3.82Å; Y2175-I2190 HydrophobicContact CD1-CD1 4.5Å; Y2175-I2190 HydrophobicContact CD2-CD1 3.82Å; Y2175-I2190 HydrophobicContact CE2-CD1 4.23Å; Y2175-I2190 HydrophobicContact CE2-CG1 4.46Å; Y2175-I2190 HydrophobicContact CE2-CG2 4.4Å; Y2175-I2190 HydrophobicContact CG-CD1 4Å; F2186-I2190 WeakPolarHBondContact O-CB 3.39Å; F2186-I2190 WeakPolarHBondContact O-CD1 3.36Å; F2186-I2190 WeakPolarHBondContact O-CG1 3.4Å; F2186-I2190 PolarHBondContact O-N 3.3Å; G2187-I2190 PolarHBondContact O-N 2.98Å; I2190-Q2192 PolarHBondContact O-N 2.87Å; I2190-T2193 PolarHBondContact O-N 3.07Å; I2190-M2194 HydrophobicContact CG2-CG 4.28Å; I2190-M2194 HydrophobicContact CG2-SD 3.6Å; I2190-M2194 VanDerWaalsContact CG2-SD 3.6Å; I2190-M2194 WeakPolarHBondContact O-CB 3.3Å; I2190-M2194 VanDerWaalsContact O-CG 3.3Å; I2190-M2194 WeakPolarHBondContact O-CG 3.45Å; I2190-M2194 PolarHBondContact O-N 3.16Å; I2190-L2211 HydrophobicContact CG2-CD2 4.45Å |
| 2191 | R | 93.2 | Very high | 90.1 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 20% | 0.204 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.2 | -48.4 | 179.3 | -179.4 | -167.4 | -78.2 | 157.9 | -4.6 | 111.4 | G2187 E2188 S2195 V2209 L2211 V2223 W2225 | G2187-R2191 WeakPolarHBondContact O-CB 3.14Å; G2187-R2191 PolarHBondContact O-N 3.26Å; E2188-R2191 PolarHBondContact O-N 3.15Å; R2191-S2195 VanDerWaalsContact O-CB 3.23Å; R2191-S2195 WeakPolarHBondContact O-CB 3.3Å; R2191-S2195 PolarHBondContact O-N 3.36Å; R2191-S2195 PolarHBondContact O-OG 2.69Å; R2191-V2209 HydrophobicContact CG-CB 4.28Å; R2191-L2211 HydrophobicContact CB-CD1 3.98Å; R2191-L2211 HydrophobicContact CB-CD2 4.08Å; R2191-L2211 HydrophobicContact CB-CG 3.99Å; R2191-V2223 PolarHBondContact NH2-O 3.24Å; R2191-W2225 PolarHBondContact NH1-O 3.45Å |
| 2192 | Q | 91 | Very high | 89.7 | Confident | 127 Ų | 127 | 48 Ų | 48 | 59% | 0.593 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -62.5 | -44.4 | -178.9 | -179.4 | 176.3 | -3.3 | 0 | 0 | 111.1 | E2188 I2190 N2196 | E2188-Q2192 VanDerWaalsContact O-CB 3.28Å; E2188-Q2192 WeakPolarHBondContact O-CB 3.45Å; E2188-Q2192 PolarHBondContact O-N 3.02Å; I2190-Q2192 PolarHBondContact O-N 2.87Å; Q2192-N2196 WeakPolarHBondContact O-CB 3.49Å; Q2192-N2196 PolarHBondContact O-N 3.39Å; Q2192-N2196 VanDerWaalsContact O-N 3.11Å; Q2192-N2196 PolarHBondContact O-ND2 3.23Å |
| 2193 | T | 93.4 | Very high | 89.3 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 14% | 0.135 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.1 | -51.4 | -176.8 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | A2149 V2150 A2153 L2189 I2190 S2195 N2196 T2197 | A2149-T2193 VanDerWaalsContact C-CG2 3.48Å; A2149-T2193 HydrophobicContact CB-CG2 3.71Å; A2149-T2193 WeakPolarHBondContact O-CG2 3.43Å; V2150-T2193 HydrophobicContact CB-CG2 4.48Å; V2150-T2193 HydrophobicContact CG2-CG2 3.82Å; A2153-T2193 HydrophobicContact CB-CG2 4.18Å; L2189-T2193 VanDerWaalsContact O-CB 3.24Å; L2189-T2193 WeakPolarHBondContact O-CB 3.29Å; L2189-T2193 PolarHBondContact O-N 2.95Å; L2189-T2193 PolarHBondContact O-OG1 3.39Å; I2190-T2193 PolarHBondContact O-N 3.07Å; T2193-S2195 VanDerWaalsContact C-N 3.32Å; T2193-S2195 PolarHBondContact O-N 2.88Å; T2193-N2196 PolarHBondContact O-N 2.98Å; T2193-N2196 VanDerWaalsContact O-N 3.08Å; T2193-T2197 PolarHBondContact O-N 3.43Å; T2193-T2197 PolarHBondContact O-OG1 2.97Å |
| 2194 | M | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 176 | -66.6 | 179.6 | 68.6 | 0 | 0 | 112.1 | F1954 A2146 V2150 L2173 I2190 N2196 T2197 V2209 | F1954-M2194 HydrophobicContact CD2-CE 3.64Å; F1954-M2194 HydrophobicContact CE1-CB 4.14Å; F1954-M2194 HydrophobicContact CE1-CE 4.48Å; F1954-M2194 WeakPolarHBondContact CE1-O 3.49Å; F1954-M2194 HydrophobicContact CE2-CE 3.46Å; F1954-M2194 VanDerWaalsContact CE2-CE 3.46Å; F1954-M2194 HydrophobicContact CG-CE 4.25Å; F1954-M2194 HydrophobicContact CZ-CB 3.89Å; F1954-M2194 HydrophobicContact CZ-CE 3.92Å; A2146-M2194 HydrophobicContact CB-CG 4.26Å; V2150-M2194 HydrophobicContact CG2-CG 3.63Å; L2173-M2194 HydrophobicContact CD1-CE 3.88Å; L2173-M2194 HydrophobicContact CD1-SD 4.1Å; L2173-M2194 HydrophobicContact CG-CE 4.09Å; I2190-M2194 HydrophobicContact CG2-CG 4.28Å; I2190-M2194 HydrophobicContact CG2-SD 3.6Å; I2190-M2194 VanDerWaalsContact CG2-SD 3.6Å; I2190-M2194 WeakPolarHBondContact O-CB 3.3Å; I2190-M2194 VanDerWaalsContact O-CG 3.3Å; I2190-M2194 WeakPolarHBondContact O-CG 3.45Å; I2190-M2194 PolarHBondContact O-N 3.16Å; M2194-N2196 VanDerWaalsContact C-N 3.29Å; M2194-N2196 PolarHBondContact O-N 3.25Å; M2194-T2197 VanDerWaalsContact O-CB 3.23Å; M2194-T2197 WeakPolarHBondContact O-CB 3.38Å; M2194-T2197 PolarHBondContact O-N 3.14Å; M2194-T2197 VanDerWaalsContact O-N 3.13Å; M2194-T2197 PolarHBondContact O-OG1 3.02Å; M2194-T2197 VanDerWaalsContact O-OG1 3.14Å; M2194-V2209 HydrophobicContact CB-CG1 4.47Å; M2194-V2209 HydrophobicContact CB-CG2 3.74Å; M2194-V2209 HydrophobicContact CE-CG1 4.13Å; M2194-V2209 HydrophobicContact CE-CG2 4.4Å; M2194-V2209 HydrophobicContact SD-CG1 3.97Å |
| 2195 | S | 90 | Very high | 88.5 | Confident | 33 Ų | 33 | 50.3 Ų | 50.3 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -33.1 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | R2191 T2193 T2197 S2198 L2207 | R2191-S2195 VanDerWaalsContact O-CB 3.23Å; R2191-S2195 WeakPolarHBondContact O-CB 3.3Å; R2191-S2195 PolarHBondContact O-N 3.36Å; R2191-S2195 PolarHBondContact O-OG 2.69Å; T2193-S2195 VanDerWaalsContact C-N 3.32Å; T2193-S2195 PolarHBondContact O-N 2.88Å; S2195-T2197 VanDerWaalsContact C-N 3.3Å; S2195-T2197 PolarHBondContact O-N 2.63Å; S2195-S2198 PolarHBondContact O-OG 3.32Å; S2195-L2207 WeakPolarHBondContact CA-O 3.42Å |
| 2196 | N | 90.4 | Very high | 88.2 | Confident | 42 Ų | 42 | 47.1 Ų | 47.1 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76.4 | -10.6 | 175.8 | -78.8 | -61.5 | 0 | 0 | 0 | 113.7 | Q2192 T2193 M2194 S2198 K2199 H2200 | Q2192-N2196 WeakPolarHBondContact O-CB 3.49Å; Q2192-N2196 PolarHBondContact O-N 3.39Å; Q2192-N2196 VanDerWaalsContact O-N 3.11Å; Q2192-N2196 PolarHBondContact O-ND2 3.23Å; T2193-N2196 PolarHBondContact O-N 2.98Å; T2193-N2196 VanDerWaalsContact O-N 3.08Å; M2194-N2196 VanDerWaalsContact C-N 3.29Å; M2194-N2196 PolarHBondContact O-N 3.25Å; N2196-S2198 PolarHBondContact O-N 3.13Å; N2196-S2198 VanDerWaalsContact O-N 3.17Å; N2196-K2199 WeakPolarHBondContact O-CB 3.4Å; N2196-K2199 PolarHBondContact O-N 2.98Å; N2196-K2199 WeakPolarHBondContact OD1-CE 3.37Å; N2196-K2199 PolarHBondContact OD1-NZ 3.39Å; N2196-H2200 PolarHBondContact O-N 2.72Å; N2196-H2200 PolarHBondContact O-ND1 3.28Å |
| 2197 | T | 88.2 | Confident | 88 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.4 | -29.3 | 172.1 | -55.6 | 0 | 0 | 0 | 0 | 112 | I2142 I2145 A2146 T2193 M2194 S2195 K2199 H2200 C2201 | I2142-T2197 HydrophobicContact CG2-CG2 3.97Å; I2145-T2197 HydrophobicContact CB-CG2 4.04Å; I2145-T2197 HydrophobicContact CG2-CG2 3.78Å; A2146-T2197 HydrophobicContact CB-CG2 4.38Å; T2193-T2197 PolarHBondContact O-N 3.43Å; T2193-T2197 PolarHBondContact O-OG1 2.97Å; M2194-T2197 VanDerWaalsContact O-CB 3.23Å; M2194-T2197 WeakPolarHBondContact O-CB 3.38Å; M2194-T2197 PolarHBondContact O-N 3.14Å; M2194-T2197 VanDerWaalsContact O-N 3.13Å; M2194-T2197 PolarHBondContact O-OG1 3.02Å; M2194-T2197 VanDerWaalsContact O-OG1 3.14Å; S2195-T2197 VanDerWaalsContact C-N 3.3Å; S2195-T2197 PolarHBondContact O-N 2.63Å; T2197-K2199 VanDerWaalsContact C-N 3.3Å; T2197-K2199 PolarHBondContact O-N 3.17Å; T2197-H2200 PolarHBondContact O-N 2.62Å; T2197-H2200 VanDerWaalsContact O-N 3.17Å; T2197-C2201 PolarHBondContact O-N 2.92Å; T2197-C2201 PolarHBondContact O-SG 3.33Å |
| 2198 | S | 83.6 | Confident | 87.7 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -48.6 | -45.8 | 169.2 | 55 | 0 | 0 | 0 | 0 | 113.7 | S2195 N2196 N2202 I2203 | S2195-S2198 PolarHBondContact O-OG 3.32Å; N2196-S2198 PolarHBondContact O-N 3.13Å; N2196-S2198 VanDerWaalsContact O-N 3.17Å; S2198-N2202 PolarHBondContact O-N 3.01Å; S2198-I2203 PolarHBondContact O-N 3.19Å |
| 2199 | K | 81.2 | Confident | 87.6 | Confident | 150 Ų | 150 | 47 Ų | 47 | 65% | 0.652 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -72.2 | -40.2 | 179 | -62 | 171.5 | -175.5 | 161.8 | 0 | 112 | N2196 T2197 C2201 N2202 | N2196-K2199 WeakPolarHBondContact O-CB 3.4Å; N2196-K2199 PolarHBondContact O-N 2.98Å; N2196-K2199 WeakPolarHBondContact OD1-CE 3.37Å; N2196-K2199 PolarHBondContact OD1-NZ 3.39Å; T2197-K2199 VanDerWaalsContact C-N 3.3Å; T2197-K2199 PolarHBondContact O-N 3.17Å; K2199-C2201 VanDerWaalsContact C-N 3.26Å; K2199-C2201 PolarHBondContact O-N 2.82Å; K2199-N2202 PolarHBondContact O-N 2.96Å |
| 2200 | H | 76.8 | Confident | 87.4 | Confident | 135 Ų | 135 | 47.3 Ų | 47.3 | 63% | 0.625 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.5 | -34.4 | 178.3 | -65.4 | 79.3 | 0 | 0 | 0 | 111.7 | N2196 T2197 | N2196-H2200 PolarHBondContact O-N 2.72Å; N2196-H2200 PolarHBondContact O-ND1 3.28Å; T2197-H2200 PolarHBondContact O-N 2.62Å; T2197-H2200 VanDerWaalsContact O-N 3.17Å |
| 2201 | C | 80.5 | Confident | 87.3 | Confident | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.054 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 4.2 | 178.1 | -52.6 | 0 | 0 | 0 | 0 | 113.7 | L2083 I2145 T2197 K2199 I2203 | L2083-C2201 HydrophobicContact CD2-CB 3.89Å; I2145-C2201 VanDerWaalsContact CD1-SG 3.51Å; T2197-C2201 PolarHBondContact O-N 2.92Å; T2197-C2201 PolarHBondContact O-SG 3.33Å; K2199-C2201 VanDerWaalsContact C-N 3.26Å; K2199-C2201 PolarHBondContact O-N 2.82Å; C2201-I2203 HydrophobicContact CB-CD1 3.64Å; C2201-I2203 HydrophobicContact CB-CG1 3.82Å; C2201-I2203 PolarHBondContact O-N 3.24Å |
| 2202 | N | 83 | Confident | 87.3 | Confident | 121 Ų | 121 | 47.2 Ų | 47.2 | 65% | 0.647 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 51.2 | -176.8 | -163.5 | 66.5 | 0 | 0 | 0 | 114.2 | Y1964 S2198 K2199 | Y1964-N2202 PolarHBondContact OH-O 2.99Å; S2198-N2202 PolarHBondContact O-N 3.01Å; K2199-N2202 PolarHBondContact O-N 2.96Å |
| 2203 | I | 85.7 | Confident | 87.5 | Confident | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | trans | -104.9 | 117.9 | -179.1 | -57 | 170.3 | 0 | 0 | 0 | 109.9 | Y1964 L2083 I2142 S2198 C2201 V2205 L2207 | Y1964-I2203 HydrophobicContact CD2-CB 4.48Å; Y1964-I2203 HydrophobicContact CD2-CG2 3.86Å; Y1964-I2203 HydrophobicContact CE2-CG2 4.36Å; Y1964-I2203 HydrophobicContact CG-CG2 4.12Å; L2083-I2203 HydrophobicContact CD2-CD1 3.69Å; L2083-I2203 HydrophobicContact CD2-CG1 3.92Å; I2142-I2203 HydrophobicContact CD1-CD1 3.4Å; I2142-I2203 VanDerWaalsContact CD1-CD1 3.4Å; I2142-I2203 HydrophobicContact CG1-CD1 4.15Å; S2198-I2203 PolarHBondContact O-N 3.19Å; C2201-I2203 HydrophobicContact CB-CD1 3.64Å; C2201-I2203 HydrophobicContact CB-CG1 3.82Å; C2201-I2203 PolarHBondContact O-N 3.24Å; I2203-V2205 HydrophobicContact CG2-CB 4.12Å; I2203-V2205 PolarHBondContact O-N 3.23Å; I2203-V2205 VanDerWaalsContact O-N 3.14Å; I2203-L2207 HydrophobicContact CD1-CD1 4.25Å | ||
| 2204 | D | 80.2 | Confident | 87.5 | Confident | 127 Ų | 127 | 41.7 Ų | 41.7 | 68% | 0.679 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -68.6 | -8.9 | -179.2 | -57 | -50.3 | 0 | 0 | 0 | 114.2 | ||
| 2205 | V | 86.2 | Confident | 87.4 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -99.6 | 126.3 | -179.8 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | R1960 A1963 L1972 L1975 I2203 | R1960-V2205 HydrophobicContact CB-CG1 3.84Å; R1960-V2205 HydrophobicContact CG-CG1 3.99Å; A1963-V2205 HydrophobicContact CB-CG2 4.47Å; L1972-V2205 HydrophobicContact CD2-CG2 3.4Å; L1972-V2205 VanDerWaalsContact CD2-CG2 3.4Å; L1975-V2205 HydrophobicContact CB-CG1 4.39Å; I2203-V2205 HydrophobicContact CG2-CB 4.12Å; I2203-V2205 PolarHBondContact O-N 3.23Å; I2203-V2205 VanDerWaalsContact O-N 3.14Å |
| 2206 | P | 85.3 | Confident | 87.5 | Confident | 32 Ų | 32 | 46 Ų | 46 | 21% | 0.208 | 24% | 0.237 | C | C | . | . | trans | -64.1 | 141.7 | 178.7 | 28 | -35.9 | 0 | 0 | 0 | 111 | R1960 L1975 V1978 P2208 | R1960-P2206 WeakPolarHBondContact CD-O 3.19Å; R1960-P2206 PolarHBondContact NH1-O 3.03Å; L1975-P2206 WeakPolarHBondContact O-CG 3.24Å; V1978-P2206 HydrophobicContact CG2-CB 3.5Å; V1978-P2206 VanDerWaalsContact CG2-CB 3.5Å; V1978-P2206 HydrophobicContact CG2-CG 3.56Å; P2206-P2208 VanDerWaalsContact C-CD 3.46Å; P2206-P2208 WeakPolarHBondContact O-CD 3.45Å | ||
| 2207 | L | 90.6 | Very high | 87.7 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | trans | -112.3 | 78.4 | 178.2 | -59.8 | -177.6 | 0 | 0 | 0 | 110.5 | F1954 L1957 R1960 I2142 S2195 I2203 | F1954-L2207 HydrophobicContact CD1-CB 4.11Å; F1954-L2207 HydrophobicContact CE1-CB 4.01Å; F1954-L2207 HydrophobicContact CE1-CD1 4.41Å; L1957-L2207 HydrophobicContact CD1-CD1 4.09Å; L1957-L2207 HydrophobicContact CD1-CD2 3.83Å; R1960-L2207 HydrophobicContact CB-CD2 3.91Å; I2142-L2207 HydrophobicContact CD1-CD1 4.44Å; I2142-L2207 HydrophobicContact CG2-CD1 4.05Å; S2195-L2207 WeakPolarHBondContact CA-O 3.42Å; I2203-L2207 HydrophobicContact CD1-CD1 4.25Å | ||
| 2208 | P | 87.9 | Confident | 87.8 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | trans | -71 | 150.2 | 179.6 | 25.5 | -28.6 | 0 | 0 | 0 | 112.2 | C1955 P2206 | C1955-P2208 HydrophobicContact CB-CG 4.02Å; C1955-P2208 WeakPolarHBondContact CB-O 3.47Å; C1955-P2208 PolarHBondContact N-O 3.03Å; P2206-P2208 VanDerWaalsContact C-CD 3.46Å; P2206-P2208 WeakPolarHBondContact O-CD 3.45Å | ||
| 2209 | V | 89.9 | Confident | 88 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.2 | -172.1 | 177.8 | 0 | 0 | 0 | 0 | 111 | D1953 F1954 R2191 M2194 | D1953-V2209 CarbonylContact O-C 3.46Å; D1953-V2209 WeakPolarHBondContact O-CA 3.37Å; F1954-V2209 HydrophobicContact CD1-CG2 3.53Å; F1954-V2209 HydrophobicContact CE1-CG2 3.71Å; F1954-V2209 HydrophobicContact CG-CG2 4.27Å; R2191-V2209 HydrophobicContact CG-CB 4.28Å; M2194-V2209 HydrophobicContact CB-CG1 4.47Å; M2194-V2209 HydrophobicContact CB-CG2 3.74Å; M2194-V2209 HydrophobicContact CE-CG1 4.13Å; M2194-V2209 HydrophobicContact CE-CG2 4.4Å; M2194-V2209 HydrophobicContact SD-CG1 3.97Å |
| 2210 | K | 90 | Very high | 88.4 | Confident | 43 Ų | 43 | 40.8 Ų | 40.8 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 133.1 | 171.9 | -81.7 | 160.2 | 177.8 | -66.3 | 0 | 109.4 | G1952 D1953 C1955 E1994 | G1952-K2210 WeakPolarHBondContact CA-O 3.41Å; D1953-K2210 HydrophobicContact CB-CB 4.25Å; D1953-K2210 PolarHBondContact N-O 3.08Å; D1953-K2210 PolarHBondContact O-N 2.77Å; C1955-K2210 VanDerWaalsContact SG-CD 3.6Å; C1955-K2210 VanDerWaalsContact SG-CG 3.58Å; E1994-K2210 IonicContact OE2-NZ 3.19Å; E1994-K2210 PolarHBondContact OE2-NZ 3.43Å |
| 2211 | L | 92.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.1 | 167.9 | -69.3 | 177.9 | 0 | 0 | 0 | 109.7 | I1950 S1951 G2187 I2190 R2191 Q2222 V2223 W2225 | I1950-L2211 HydrophobicContact CG2-CD2 4.19Å; S1951-L2211 CarbonylContact O-C 3.49Å; S1951-L2211 VanDerWaalsContact O-CA 3.29Å; S1951-L2211 WeakPolarHBondContact O-CA 3.43Å; G2187-L2211 VanDerWaalsContact O-CD1 3.28Å; G2187-L2211 WeakPolarHBondContact O-CD1 3.43Å; I2190-L2211 HydrophobicContact CG2-CD2 4.45Å; R2191-L2211 HydrophobicContact CB-CD1 3.98Å; R2191-L2211 HydrophobicContact CB-CD2 4.08Å; R2191-L2211 HydrophobicContact CB-CG 3.99Å; L2211-Q2222 VanDerWaalsContact O-CA 3.3Å; L2211-Q2222 WeakPolarHBondContact O-CA 3.23Å; L2211-Q2222 WeakPolarHBondContact O-CG 3.37Å; L2211-V2223 HydrophobicContact CB-CG2 3.88Å; L2211-V2223 PolarHBondContact O-N 3.25Å; L2211-W2225 HydrophobicContact CD1-CE3 3.94Å; L2211-W2225 HydrophobicContact CD1-CZ3 4.34Å |
| 2212 | R | 93.9 | Very high | 89.2 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.7 | 168.1 | -45.3 | -179 | -164.3 | 135.2 | 2.7 | 110.2 | I1950 S1951 D1953 E2172 L2220 K2221 Q2222 | I1950-R2212 WeakPolarHBondContact CA-O 3.12Å; S1951-R2212 PolarHBondContact N-O 3.45Å; S1951-R2212 PolarHBondContact O-N 3.48Å; D1953-R2212 IonicContact OD2-CZ 2.76Å; D1953-R2212 IonicContact OD2-NH2 3.42Å; D1953-R2212 PolarHBondContact OD2-NH2 3.21Å; E2172-R2212 IonicContact OE1-CZ 3.42Å; E2172-R2212 IonicContact OE1-NH1 3.45Å; E2172-R2212 PolarHBondContact OE1-NH1 2.91Å; E2172-R2212 IonicContact OE2-CZ 2.73Å; E2172-R2212 IonicContact OE2-NH1 3.8Å; E2172-R2212 PolarHBondContact OE2-NH1 2.82Å; E2172-R2212 IonicContact OE2-NH2 2.59Å; E2172-R2212 PolarHBondContact OE2-NH2 2.81Å; R2212-L2220 HydrophobicContact CB-CB 3.97Å; R2212-K2221 CarbonylContact C-O 3.55Å; R2212-K2221 WeakPolarHBondContact CA-O 3.39Å; R2212-Q2222 HydrophobicContact CG-CB 4.49Å |
| 2213 | I | 93.9 | Very high | 89.3 | Confident | 24 Ų | 24 | 40 Ų | 40 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.4 | -179.2 | -165 | 160.3 | 0 | 0 | 0 | 112.4 | L1948 L1949 I1950 A2183 L2220 K2221 V2223 W2225 | L1948-I2213 HydrophobicContact CB-CD1 4.12Å; L1948-I2213 HydrophobicContact CB-CG1 4.03Å; L1948-I2213 HydrophobicContact CD1-CD1 3.55Å; L1948-I2213 HydrophobicContact CD1-CG1 3.88Å; L1948-I2213 HydrophobicContact CG-CD1 4.47Å; L1948-I2213 HydrophobicContact CG-CG1 4.49Å; L1949-I2213 VanDerWaalsContact O-CA 3.31Å; L1949-I2213 WeakPolarHBondContact O-CA 3.12Å; L1949-I2213 WeakPolarHBondContact O-CG1 3.36Å; I1950-I2213 HydrophobicContact CD1-CD1 4.47Å; I1950-I2213 HydrophobicContact CG1-CD1 4.09Å; I1950-I2213 HydrophobicContact CG1-CG1 4.36Å; A2183-I2213 HydrophobicContact CB-CD1 3.84Å; I2213-L2220 WeakPolarHBondContact O-CA 3.3Å; I2213-K2221 PolarHBondContact N-O 3.3Å; I2213-K2221 PolarHBondContact O-N 3.15Å; I2213-V2223 HydrophobicContact CB-CG2 4.49Å; I2213-V2223 HydrophobicContact CG2-CG1 3.55Å; I2213-V2223 HydrophobicContact CG2-CG2 4.12Å; I2213-W2225 HydrophobicContact CD1-CH2 3.58Å; I2213-W2225 HydrophobicContact CD1-CZ2 4Å |
| 2214 | G | 93.5 | Very high | 88.7 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 9% | 0.093 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | 171.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1949 | L1949-G2214 PolarHBondContact N-O 3.01Å; L1949-G2214 PolarHBondContact O-N 3.41Å |
| 2215 | N | 91.9 | Very high | 88.3 | Confident | 107 Ų | 107 | 43.4 Ų | 43.4 | 57% | 0.572 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -79.2 | -23.9 | -177.5 | -57.3 | 8.6 | 0 | 0 | 0 | 112.6 | A1943 L1948 | A1943-N2215 PolarHBondContact N-O 3.23Å; L1948-N2215 WeakPolarHBondContact CD2-OD1 2.87Å |
| 2216 | N | 93 | Very high | 88.4 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 9% | 0.086 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -141.1 | 165.3 | 176.8 | 69.5 | 65.1 | 0 | 0 | 0 | 110 | F1941 S2218 D2219 | F1941-N2216 CarbonylContact O-C 3.53Å; F1941-N2216 WeakPolarHBondContact O-CA 3.33Å; F1941-N2216 WeakPolarHBondContact O-CB 3.45Å; N2216-S2218 VanDerWaalsContact C-N 3.26Å; N2216-S2218 PolarHBondContact O-N 3.3Å; N2216-S2218 WeakPolarHBondContact OD1-CA 3.42Å; N2216-S2218 WeakPolarHBondContact OD1-CB 3.26Å; N2216-S2218 PolarHBondContact OD1-N 2.69Å; N2216-D2219 PolarHBondContact ND2-OD2 3.49Å; N2216-D2219 PolarHBondContact O-N 3.14Å; N2216-D2219 PolarHBondContact OD1-N 3.07Å |
| 2217 | W | 94 | Very high | 88.5 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -69.7 | -18 | -172.9 | -174.6 | 27.7 | 0 | 0 | 0 | 113.9 | F1726 L1884 V1887 R1938 F1941 L1949 L2167 E2169 I2174 | F1726-W2217 HydrophobicContact CE1-CD2 4.41Å; F1726-W2217 HydrophobicContact CE1-CE3 4.32Å; F1726-W2217 HydrophobicContact CZ-CB 4.17Å; F1726-W2217 HydrophobicContact CZ-CG 4.43Å; L1884-W2217 WeakPolarHBondContact O-CH2 3.27Å; V1887-W2217 HydrophobicContact CB-CH2 4.12Å; V1887-W2217 HydrophobicContact CB-CZ3 4Å; V1887-W2217 HydrophobicContact CG1-CZ3 4.2Å; V1887-W2217 HydrophobicContact CG2-CZ3 4.48Å; R1938-W2217 HydrophobicContact CB-CB 4.22Å; R1938-W2217 HydrophobicContact CB-CD2 4Å; R1938-W2217 HydrophobicContact CB-CE3 3.88Å; R1938-W2217 HydrophobicContact CB-CG 4.16Å; R1938-W2217 HydrophobicContact CG-CD2 3.81Å; R1938-W2217 HydrophobicContact CG-CE3 3.6Å; R1938-W2217 HydrophobicContact CG-CG 4.41Å; R1938-W2217 HydrophobicContact CG-CH2 4.25Å; R1938-W2217 HydrophobicContact CG-CZ2 4.46Å; R1938-W2217 HydrophobicContact CG-CZ3 3.83Å; R1938-W2217 WeakPolarHBondContact O-CB 3.37Å; F1941-W2217 HydrophobicContact CB-CB 4.03Å; F1941-W2217 HydrophobicContact CB-CE3 4.1Å; F1941-W2217 HydrophobicContact CD1-CE3 4.47Å; F1941-W2217 AromaticContact CD2-CE3 3.79Å; F1941-W2217 HydrophobicContact CD2-CE3 3.79Å; F1941-W2217 HydrophobicContact CD2-CZ3 4.19Å; F1941-W2217 HydrophobicContact CE2-CE3 4.32Å; F1941-W2217 HydrophobicContact CE2-CZ3 4.26Å; F1941-W2217 AromaticContact CG-CE3 3.88Å; F1941-W2217 HydrophobicContact CG-CE3 3.88Å; F1941-W2217 HydrophobicContact CG-CZ3 4.43Å; F1941-W2217 PolarHBondContact O-N 3.02Å; L1949-W2217 HydrophobicContact CD1-CB 4.23Å; L2167-W2217 HydrophobicContact CD2-CD2 4.49Å; L2167-W2217 HydrophobicContact CD2-CE3 4.48Å; L2167-W2217 HydrophobicContact CD2-CH2 3.37Å; L2167-W2217 HydrophobicContact CD2-CZ2 3.31Å; L2167-W2217 HydrophobicContact CD2-CZ3 3.97Å; E2169-W2217 WeakPolarHBondContact OE2-CZ2 3.27Å; I2174-W2217 HydrophobicContact CD1-CZ2 4.27Å; I2174-W2217 VanDerWaalsContact CD1-NE1 3.27Å |
| 2218 | S | 89.3 | Confident | 88.4 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -80.9 | -40.7 | 173.9 | -163.9 | 0 | 0 | 0 | 0 | 112.6 | R1938 N2216 L2220 | R1938-S2218 PolarHBondContact O-N 2.67Å; N2216-S2218 VanDerWaalsContact C-N 3.26Å; N2216-S2218 PolarHBondContact O-N 3.3Å; N2216-S2218 WeakPolarHBondContact OD1-CA 3.42Å; N2216-S2218 WeakPolarHBondContact OD1-CB 3.26Å; N2216-S2218 PolarHBondContact OD1-N 2.69Å; S2218-L2220 VanDerWaalsContact C-N 3.26Å; S2218-L2220 PolarHBondContact O-N 3.38Å |
| 2219 | D | 88.5 | Confident | 88.5 | Confident | 70 Ų | 70 | 48.2 Ų | 48.2 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -81.6 | 6.8 | -174.9 | -80.2 | -50.5 | 0 | 0 | 0 | 115 | N2216 K2221 | N2216-D2219 PolarHBondContact ND2-OD2 3.49Å; N2216-D2219 PolarHBondContact O-N 3.14Å; N2216-D2219 PolarHBondContact OD1-N 3.07Å; D2219-K2221 WeakPolarHBondContact O-CG 3.06Å; D2219-K2221 PolarHBondContact O-N 3.45Å |
| 2220 | L | 89.8 | Confident | 88.4 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | trans | -56.1 | 108.4 | 175.7 | -70.7 | -177.2 | 0 | 0 | 0 | 112.3 | L1949 R2212 I2213 S2218 | L1949-L2220 HydrophobicContact CB-CD2 3.97Å; R2212-L2220 HydrophobicContact CB-CB 3.97Å; I2213-L2220 WeakPolarHBondContact O-CA 3.3Å; S2218-L2220 VanDerWaalsContact C-N 3.26Å; S2218-L2220 PolarHBondContact O-N 3.38Å | ||
| 2221 | K | 88.4 | Confident | 88.3 | Confident | 142 Ų | 142 | 51 Ų | 51 | 62% | 0.617 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 139.9 | 178.6 | -72.7 | 159.3 | -168.4 | 163.9 | 0 | 110.8 | R2212 I2213 D2219 | R2212-K2221 CarbonylContact C-O 3.55Å; R2212-K2221 WeakPolarHBondContact CA-O 3.39Å; I2213-K2221 PolarHBondContact N-O 3.3Å; I2213-K2221 PolarHBondContact O-N 3.15Å; D2219-K2221 WeakPolarHBondContact O-CG 3.06Å; D2219-K2221 PolarHBondContact O-N 3.45Å |
| 2222 | Q | 86.3 | Confident | 88 | Confident | 78 Ų | 78 | 54.6 Ų | 54.6 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 138.4 | -179.9 | -177.7 | 171.8 | -28.7 | 0 | 0 | 111.6 | E1994 L2211 R2212 N2224 | E1994-Q2222 PolarHBondContact OE1-NE2 3.03Å; E1994-Q2222 PolarHBondContact OE2-NE2 3.49Å; L2211-Q2222 VanDerWaalsContact O-CA 3.3Å; L2211-Q2222 WeakPolarHBondContact O-CA 3.23Å; L2211-Q2222 WeakPolarHBondContact O-CG 3.37Å; R2212-Q2222 HydrophobicContact CG-CB 4.49Å; Q2222-N2224 PolarHBondContact NE2-OD1 3.17Å |
| 2223 | V | 85.6 | Confident | 87.5 | Confident | 27 Ų | 27 | 54.8 Ų | 54.8 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | trans | -124.4 | 126.2 | 178 | -76.8 | 0 | 0 | 0 | 0 | 112.9 | R2191 L2211 I2213 W2225 | R2191-V2223 PolarHBondContact NH2-O 3.24Å; L2211-V2223 HydrophobicContact CB-CG2 3.88Å; L2211-V2223 PolarHBondContact O-N 3.25Å; I2213-V2223 HydrophobicContact CB-CG2 4.49Å; I2213-V2223 HydrophobicContact CG2-CG1 3.55Å; I2213-V2223 HydrophobicContact CG2-CG2 4.12Å; V2223-W2225 HydrophobicContact CB-CD2 4.31Å; V2223-W2225 HydrophobicContact CG2-CD2 4.05Å; V2223-W2225 HydrophobicContact CG2-CE3 4.2Å; V2223-W2225 HydrophobicContact CG2-CH2 4.32Å; V2223-W2225 HydrophobicContact CG2-CZ2 4.15Å; V2223-W2225 HydrophobicContact CG2-CZ3 4.31Å; V2223-W2225 PolarHBondContact O-N 2.71Å | ||
| 2224 | N | 72.1 | Confident | 87 | Confident | 108 Ų | 108 | 57.4 Ų | 57.4 | 58% | 0.578 | 28% | 0.284 | S | S | * | . | trans | -98.4 | 75.6 | 172 | -69.6 | 5.7 | 0 | 0 | 0 | 108.9 | Q2222 | Q2222-N2224 PolarHBondContact NE2-OD1 3.17Š| ||
| 2225 | W | 71.4 | Confident | 86.4 | Confident | 104 Ų | 104 | 61.8 Ų | 61.8 | 39% | 0.394 | 30% | 0.301 | S | S | . | . | trans | -76.3 | 0 | 161.2 | -61.9 | -27.1 | 0 | 0 | 0 | 111.2 | A2183 K2184 E2188 R2191 L2211 I2213 V2223 | A2183-W2225 WeakPolarHBondContact O-CZ3 3.47Å; K2184-W2225 HydrophobicContact CB-CD2 4.41Å; K2184-W2225 HydrophobicContact CB-CE3 4.43Å; K2184-W2225 HydrophobicContact CB-CH2 4.28Å; K2184-W2225 HydrophobicContact CB-CZ2 4.28Å; K2184-W2225 HydrophobicContact CB-CZ3 4.39Å; K2184-W2225 HydrophobicContact CD-CD2 4.34Å; K2184-W2225 HydrophobicContact CD-CG 4.15Å; K2184-W2225 HydrophobicContact CG-CD2 3.97Å; K2184-W2225 HydrophobicContact CG-CE3 4.12Å; K2184-W2225 HydrophobicContact CG-CG 4.24Å; E2188-W2225 HydrophobicContact CG-CB 4.4Å; R2191-W2225 PolarHBondContact NH1-O 3.45Å; L2211-W2225 HydrophobicContact CD1-CE3 3.94Å; L2211-W2225 HydrophobicContact CD1-CZ3 4.34Å; I2213-W2225 HydrophobicContact CD1-CH2 3.58Å; I2213-W2225 HydrophobicContact CD1-CZ2 4Å; V2223-W2225 HydrophobicContact CB-CD2 4.31Å; V2223-W2225 HydrophobicContact CG2-CD2 4.05Å; V2223-W2225 HydrophobicContact CG2-CE3 4.2Å; V2223-W2225 HydrophobicContact CG2-CH2 4.32Å; V2223-W2225 HydrophobicContact CG2-CZ2 4.15Å; V2223-W2225 HydrophobicContact CG2-CZ3 4.31Å; V2223-W2225 PolarHBondContact O-N 2.71Å |
Retrieved 2,225 of 2,225 residues in 1386.7 ms
(Link to these results)